USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 624 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 76 GLN : amide:sc= -3.56! C(o=-3!,f=-6.4!) USER MOD Set 1.2: A 77 THR OG1 : rot -35:sc= 0.554 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -7.9! C(o=-7.9!,f=-9.3!) USER MOD Single : A 25 ASN : amide:sc= -0.142 X(o=-0.14,f=-0.45) USER MOD Single : A 27 LYS NZ :NH3+ 155:sc= -0.0603 (180deg=-0.623) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -149:sc= -0.474 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 140:sc= -2.78! USER MOD Single : A 43 THR OG1 : rot -63:sc= -1.23! USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -3.4 K(o=-3.4,f=-6.4!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 170:sc= 0 (180deg=-0.0105) USER MOD Single : A 62 SER OG : rot 132:sc= 0.111 USER MOD Single : A 67 TYR OH : rot -1:sc= -1.14! USER MOD Single : A 73 GLN : amide:sc= -4.98! C(o=-5!,f=-13!) USER MOD Single : A 83 MET CE :methyl -168:sc= -1.87 (180deg=-2.54) USER MOD Single : A 86 ASN : amide:sc= -1.81 K(o=-1.8,f=-0.47) USER MOD Single : A 92 HIS : no HD1:sc= -0.552 X(o=-0.55,f=-0.3) USER MOD Single : A 95 GLN : amide:sc= -0.342 K(o=-0.34,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 21 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA GLU A 21 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C GLU A 21 3.572 0.119 -0.964 1.00 0.00 C ATOM 4 O GLU A 21 4.053 1.186 -0.584 1.00 0.00 O ATOM 5 CB GLU A 21 1.598 1.122 -2.171 1.00 0.00 C ATOM 6 CG GLU A 21 0.071 1.145 -2.266 1.00 0.00 C ATOM 7 CD GLU A 21 -0.425 0.193 -3.356 1.00 0.00 C ATOM 8 OE1 GLU A 21 0.121 -0.910 -3.511 1.00 0.00 O ATOM 9 OE2 GLU A 21 -1.414 0.633 -4.056 1.00 0.00 O ATOM 0 HA GLU A 21 1.893 -0.947 -1.754 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.957 2.082 -1.799 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.026 0.984 -3.164 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.361 0.861 -1.306 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.268 2.158 -2.481 1.00 0.00 H new ATOM 17 N THR A 22 4.269 -0.990 -1.161 1.00 0.00 N ATOM 18 CA THR A 22 5.704 -1.023 -0.933 1.00 0.00 C ATOM 19 C THR A 22 6.457 -0.717 -2.229 1.00 0.00 C ATOM 20 O THR A 22 6.265 -1.393 -3.238 1.00 0.00 O ATOM 21 CB THR A 22 6.056 -2.386 -0.334 1.00 0.00 C ATOM 22 OG1 THR A 22 6.381 -2.096 1.023 1.00 0.00 O ATOM 23 CG2 THR A 22 7.350 -2.963 -0.911 1.00 0.00 C ATOM 0 H THR A 22 3.867 -1.873 -1.476 1.00 0.00 H new ATOM 0 HA THR A 22 6.010 -0.252 -0.226 1.00 0.00 H new ATOM 0 HB THR A 22 5.237 -3.082 -0.512 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.620 -2.926 1.487 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.553 -3.931 -0.452 1.00 0.00 H new ATOM 0 HG22 THR A 22 7.244 -3.088 -1.989 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.176 -2.282 -0.704 1.00 0.00 H new ATOM 31 N HIS A 23 7.299 0.304 -2.159 1.00 0.00 N ATOM 32 CA HIS A 23 8.082 0.709 -3.314 1.00 0.00 C ATOM 33 C HIS A 23 9.335 -0.163 -3.416 1.00 0.00 C ATOM 34 O HIS A 23 10.116 -0.247 -2.469 1.00 0.00 O ATOM 35 CB HIS A 23 8.403 2.203 -3.257 1.00 0.00 C ATOM 36 CG HIS A 23 7.183 3.094 -3.262 1.00 0.00 C ATOM 37 ND1 HIS A 23 5.914 2.625 -3.550 1.00 0.00 N ATOM 38 CD2 HIS A 23 7.053 4.428 -3.011 1.00 0.00 C ATOM 39 CE1 HIS A 23 5.065 3.640 -3.474 1.00 0.00 C ATOM 40 NE2 HIS A 23 5.773 4.757 -3.140 1.00 0.00 N ATOM 0 H HIS A 23 7.456 0.863 -1.320 1.00 0.00 H new ATOM 0 HA HIS A 23 7.500 0.557 -4.223 1.00 0.00 H new ATOM 0 HB2 HIS A 23 8.984 2.405 -2.357 1.00 0.00 H new ATOM 0 HB3 HIS A 23 9.033 2.462 -4.108 1.00 0.00 H new ATOM 0 HD2 HIS A 23 7.855 5.103 -2.751 1.00 0.00 H new ATOM 0 HE1 HIS A 23 4.000 3.591 -3.646 1.00 0.00 H new ATOM 0 HE2 HIS A 23 5.384 5.691 -3.011 1.00 0.00 H new ATOM 48 N ILE A 24 9.489 -0.790 -4.573 1.00 0.00 N ATOM 49 CA ILE A 24 10.634 -1.653 -4.811 1.00 0.00 C ATOM 50 C ILE A 24 10.873 -1.771 -6.317 1.00 0.00 C ATOM 51 O ILE A 24 10.146 -1.180 -7.113 1.00 0.00 O ATOM 52 CB ILE A 24 10.444 -3.000 -4.110 1.00 0.00 C ATOM 53 CG1 ILE A 24 9.198 -3.718 -4.632 1.00 0.00 C ATOM 54 CG2 ILE A 24 10.413 -2.828 -2.590 1.00 0.00 C ATOM 55 CD1 ILE A 24 9.141 -5.159 -4.120 1.00 0.00 C ATOM 0 H ILE A 24 8.840 -0.718 -5.356 1.00 0.00 H new ATOM 0 HA ILE A 24 11.535 -1.219 -4.378 1.00 0.00 H new ATOM 0 HB ILE A 24 11.301 -3.631 -4.344 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.304 -3.180 -4.315 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.202 -3.715 -5.722 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.277 -3.800 -2.117 1.00 0.00 H new ATOM 0 HG22 ILE A 24 11.353 -2.389 -2.254 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.587 -2.172 -2.315 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.246 -5.647 -4.506 1.00 0.00 H new ATOM 0 HD12 ILE A 24 10.024 -5.701 -4.459 1.00 0.00 H new ATOM 0 HD13 ILE A 24 9.112 -5.157 -3.030 1.00 0.00 H new ATOM 67 N ASN A 25 11.896 -2.539 -6.663 1.00 0.00 N ATOM 68 CA ASN A 25 12.241 -2.742 -8.059 1.00 0.00 C ATOM 69 C ASN A 25 11.643 -4.066 -8.540 1.00 0.00 C ATOM 70 O ASN A 25 11.288 -4.921 -7.731 1.00 0.00 O ATOM 71 CB ASN A 25 13.758 -2.813 -8.247 1.00 0.00 C ATOM 72 CG ASN A 25 14.331 -4.083 -7.616 1.00 0.00 C ATOM 73 OD1 ASN A 25 14.370 -5.143 -8.219 1.00 0.00 O ATOM 74 ND2 ASN A 25 14.771 -3.918 -6.372 1.00 0.00 N ATOM 0 H ASN A 25 12.497 -3.028 -6.000 1.00 0.00 H new ATOM 0 HA ASN A 25 11.846 -1.902 -8.630 1.00 0.00 H new ATOM 0 HB2 ASN A 25 13.997 -2.791 -9.310 1.00 0.00 H new ATOM 0 HB3 ASN A 25 14.225 -1.937 -7.797 1.00 0.00 H new ATOM 0 HD21 ASN A 25 15.171 -4.707 -5.864 1.00 0.00 H new ATOM 0 HD22 ASN A 25 14.708 -3.003 -5.926 1.00 0.00 H new ATOM 81 N LEU A 26 11.551 -4.193 -9.856 1.00 0.00 N ATOM 82 CA LEU A 26 11.002 -5.398 -10.454 1.00 0.00 C ATOM 83 C LEU A 26 11.844 -5.787 -11.671 1.00 0.00 C ATOM 84 O LEU A 26 12.308 -4.921 -12.412 1.00 0.00 O ATOM 85 CB LEU A 26 9.517 -5.212 -10.768 1.00 0.00 C ATOM 86 CG LEU A 26 9.006 -5.905 -12.033 1.00 0.00 C ATOM 87 CD1 LEU A 26 7.690 -6.638 -11.764 1.00 0.00 C ATOM 88 CD2 LEU A 26 8.883 -4.913 -13.191 1.00 0.00 C ATOM 0 H LEU A 26 11.847 -3.482 -10.524 1.00 0.00 H new ATOM 0 HA LEU A 26 11.053 -6.229 -9.751 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.938 -5.576 -9.919 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.316 -4.144 -10.856 1.00 0.00 H new ATOM 0 HG LEU A 26 9.738 -6.656 -12.329 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.349 -7.122 -12.679 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.844 -7.391 -10.991 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.938 -5.924 -11.429 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.518 -5.432 -14.077 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.184 -4.122 -12.920 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.860 -4.477 -13.402 1.00 0.00 H new ATOM 100 N LYS A 27 12.015 -7.090 -11.841 1.00 0.00 N ATOM 101 CA LYS A 27 12.793 -7.604 -12.956 1.00 0.00 C ATOM 102 C LYS A 27 12.051 -8.783 -13.589 1.00 0.00 C ATOM 103 O LYS A 27 11.782 -9.781 -12.923 1.00 0.00 O ATOM 104 CB LYS A 27 14.215 -7.942 -12.506 1.00 0.00 C ATOM 105 CG LYS A 27 15.213 -6.899 -13.012 1.00 0.00 C ATOM 106 CD LYS A 27 15.246 -5.679 -12.089 1.00 0.00 C ATOM 107 CE LYS A 27 16.639 -5.485 -11.486 1.00 0.00 C ATOM 108 NZ LYS A 27 17.219 -4.196 -11.926 1.00 0.00 N ATOM 0 H LYS A 27 11.628 -7.805 -11.225 1.00 0.00 H new ATOM 0 HA LYS A 27 12.901 -6.843 -13.729 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.254 -7.990 -11.418 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.493 -8.928 -12.879 1.00 0.00 H new ATOM 0 HG2 LYS A 27 16.208 -7.341 -13.072 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.941 -6.589 -14.021 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.960 -4.788 -12.648 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.514 -5.803 -11.291 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.578 -5.510 -10.398 1.00 0.00 H new ATOM 0 HE3 LYS A 27 17.290 -6.305 -11.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 17.920 -3.875 -11.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 17.681 -4.321 -12.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 16.464 -3.486 -12.010 1.00 0.00 H new ATOM 121 N VAL A 28 11.742 -8.628 -14.868 1.00 0.00 N ATOM 122 CA VAL A 28 11.036 -9.668 -15.598 1.00 0.00 C ATOM 123 C VAL A 28 12.005 -10.353 -16.564 1.00 0.00 C ATOM 124 O VAL A 28 12.623 -9.695 -17.400 1.00 0.00 O ATOM 125 CB VAL A 28 9.812 -9.076 -16.299 1.00 0.00 C ATOM 126 CG1 VAL A 28 9.313 -7.827 -15.569 1.00 0.00 C ATOM 127 CG2 VAL A 28 10.116 -8.768 -17.767 1.00 0.00 C ATOM 0 H VAL A 28 11.967 -7.799 -15.417 1.00 0.00 H new ATOM 0 HA VAL A 28 10.665 -10.431 -14.914 1.00 0.00 H new ATOM 0 HB VAL A 28 9.017 -9.821 -16.271 1.00 0.00 H new ATOM 0 HG11 VAL A 28 8.442 -7.426 -16.088 1.00 0.00 H new ATOM 0 HG12 VAL A 28 9.038 -8.088 -14.547 1.00 0.00 H new ATOM 0 HG13 VAL A 28 10.103 -7.076 -15.551 1.00 0.00 H new ATOM 0 HG21 VAL A 28 9.229 -8.348 -18.242 1.00 0.00 H new ATOM 0 HG22 VAL A 28 10.934 -8.050 -17.826 1.00 0.00 H new ATOM 0 HG23 VAL A 28 10.402 -9.686 -18.280 1.00 0.00 H new ATOM 137 N SER A 29 12.107 -11.666 -16.417 1.00 0.00 N ATOM 138 CA SER A 29 12.990 -12.447 -17.266 1.00 0.00 C ATOM 139 C SER A 29 12.177 -13.460 -18.075 1.00 0.00 C ATOM 140 O SER A 29 11.243 -14.069 -17.556 1.00 0.00 O ATOM 141 CB SER A 29 14.058 -13.165 -16.438 1.00 0.00 C ATOM 142 OG SER A 29 13.513 -13.754 -15.260 1.00 0.00 O ATOM 0 H SER A 29 11.593 -12.208 -15.723 1.00 0.00 H new ATOM 0 HA SER A 29 13.496 -11.766 -17.951 1.00 0.00 H new ATOM 0 HB2 SER A 29 14.529 -13.938 -17.045 1.00 0.00 H new ATOM 0 HB3 SER A 29 14.839 -12.457 -16.161 1.00 0.00 H new ATOM 0 HG SER A 29 14.225 -14.204 -14.760 1.00 0.00 H new ATOM 148 N ASP A 30 12.561 -13.608 -19.334 1.00 0.00 N ATOM 149 CA ASP A 30 11.880 -14.536 -20.221 1.00 0.00 C ATOM 150 C ASP A 30 12.781 -14.847 -21.417 1.00 0.00 C ATOM 151 O ASP A 30 13.754 -14.137 -21.668 1.00 0.00 O ATOM 152 CB ASP A 30 10.578 -13.933 -20.753 1.00 0.00 C ATOM 153 CG ASP A 30 10.172 -14.404 -22.151 1.00 0.00 C ATOM 154 OD1 ASP A 30 10.906 -14.204 -23.131 1.00 0.00 O ATOM 155 OD2 ASP A 30 9.034 -15.007 -22.214 1.00 0.00 O ATOM 0 H ASP A 30 13.336 -13.101 -19.761 1.00 0.00 H new ATOM 0 HA ASP A 30 11.654 -15.440 -19.655 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.774 -14.172 -20.057 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.676 -12.848 -20.766 1.00 0.00 H new ATOM 161 N GLY A 31 12.425 -15.909 -22.125 1.00 0.00 N ATOM 162 CA GLY A 31 13.190 -16.323 -23.289 1.00 0.00 C ATOM 163 C GLY A 31 14.052 -15.174 -23.816 1.00 0.00 C ATOM 164 O GLY A 31 15.267 -15.166 -23.624 1.00 0.00 O ATOM 0 H GLY A 31 11.617 -16.495 -21.915 1.00 0.00 H new ATOM 0 HA2 GLY A 31 13.826 -17.169 -23.029 1.00 0.00 H new ATOM 0 HA3 GLY A 31 12.512 -16.663 -24.072 1.00 0.00 H new ATOM 168 N SER A 32 13.389 -14.231 -24.470 1.00 0.00 N ATOM 169 CA SER A 32 14.080 -13.080 -25.025 1.00 0.00 C ATOM 170 C SER A 32 13.513 -11.791 -24.427 1.00 0.00 C ATOM 171 O SER A 32 14.001 -10.700 -24.719 1.00 0.00 O ATOM 172 CB SER A 32 13.965 -13.053 -26.551 1.00 0.00 C ATOM 173 OG SER A 32 15.175 -12.625 -27.170 1.00 0.00 O ATOM 0 H SER A 32 12.381 -14.241 -24.628 1.00 0.00 H new ATOM 0 HA SER A 32 15.136 -13.158 -24.768 1.00 0.00 H new ATOM 0 HB2 SER A 32 13.705 -14.048 -26.913 1.00 0.00 H new ATOM 0 HB3 SER A 32 13.153 -12.386 -26.842 1.00 0.00 H new ATOM 0 HG SER A 32 15.061 -12.623 -28.143 1.00 0.00 H new ATOM 179 N SER A 33 12.491 -11.959 -23.601 1.00 0.00 N ATOM 180 CA SER A 33 11.853 -10.822 -22.959 1.00 0.00 C ATOM 181 C SER A 33 12.466 -10.589 -21.578 1.00 0.00 C ATOM 182 O SER A 33 12.143 -11.295 -20.624 1.00 0.00 O ATOM 183 CB SER A 33 10.342 -11.034 -22.840 1.00 0.00 C ATOM 184 OG SER A 33 9.735 -10.074 -21.979 1.00 0.00 O ATOM 0 H SER A 33 12.089 -12.865 -23.361 1.00 0.00 H new ATOM 0 HA SER A 33 12.022 -9.941 -23.578 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.888 -10.972 -23.829 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.145 -12.037 -22.461 1.00 0.00 H new ATOM 0 HG SER A 33 8.958 -10.476 -21.538 1.00 0.00 H new ATOM 190 N GLU A 34 13.341 -9.596 -21.514 1.00 0.00 N ATOM 191 CA GLU A 34 14.003 -9.260 -20.265 1.00 0.00 C ATOM 192 C GLU A 34 14.037 -7.743 -20.073 1.00 0.00 C ATOM 193 O GLU A 34 14.649 -7.027 -20.864 1.00 0.00 O ATOM 194 CB GLU A 34 15.413 -9.851 -20.216 1.00 0.00 C ATOM 195 CG GLU A 34 16.168 -9.576 -21.518 1.00 0.00 C ATOM 196 CD GLU A 34 16.567 -10.883 -22.206 1.00 0.00 C ATOM 197 OE1 GLU A 34 15.694 -11.636 -22.662 1.00 0.00 O ATOM 198 OE2 GLU A 34 17.837 -11.105 -22.260 1.00 0.00 O ATOM 0 H GLU A 34 13.607 -9.013 -22.308 1.00 0.00 H new ATOM 0 HA GLU A 34 13.433 -9.697 -19.445 1.00 0.00 H new ATOM 0 HB2 GLU A 34 15.961 -9.424 -19.376 1.00 0.00 H new ATOM 0 HB3 GLU A 34 15.355 -10.926 -20.045 1.00 0.00 H new ATOM 0 HG2 GLU A 34 15.543 -8.985 -22.187 1.00 0.00 H new ATOM 0 HG3 GLU A 34 17.059 -8.984 -21.308 1.00 0.00 H new ATOM 206 N ILE A 35 13.371 -7.297 -19.017 1.00 0.00 N ATOM 207 CA ILE A 35 13.318 -5.877 -18.711 1.00 0.00 C ATOM 208 C ILE A 35 13.511 -5.677 -17.207 1.00 0.00 C ATOM 209 O ILE A 35 12.945 -6.414 -16.401 1.00 0.00 O ATOM 210 CB ILE A 35 12.027 -5.261 -19.253 1.00 0.00 C ATOM 211 CG1 ILE A 35 12.326 -4.038 -20.123 1.00 0.00 C ATOM 212 CG2 ILE A 35 11.056 -4.933 -18.117 1.00 0.00 C ATOM 213 CD1 ILE A 35 12.389 -2.765 -19.276 1.00 0.00 C ATOM 0 H ILE A 35 12.864 -7.894 -18.363 1.00 0.00 H new ATOM 0 HA ILE A 35 14.130 -5.348 -19.210 1.00 0.00 H new ATOM 0 HB ILE A 35 11.539 -5.998 -19.890 1.00 0.00 H new ATOM 0 HG12 ILE A 35 13.273 -4.180 -20.643 1.00 0.00 H new ATOM 0 HG13 ILE A 35 11.555 -3.933 -20.887 1.00 0.00 H new ATOM 0 HG21 ILE A 35 10.147 -4.496 -18.530 1.00 0.00 H new ATOM 0 HG22 ILE A 35 10.807 -5.846 -17.576 1.00 0.00 H new ATOM 0 HG23 ILE A 35 11.522 -4.223 -17.434 1.00 0.00 H new ATOM 0 HD11 ILE A 35 12.603 -1.911 -19.918 1.00 0.00 H new ATOM 0 HD12 ILE A 35 11.432 -2.613 -18.776 1.00 0.00 H new ATOM 0 HD13 ILE A 35 13.177 -2.863 -18.529 1.00 0.00 H new ATOM 225 N PHE A 36 14.311 -4.675 -16.874 1.00 0.00 N ATOM 226 CA PHE A 36 14.586 -4.368 -15.480 1.00 0.00 C ATOM 227 C PHE A 36 14.359 -2.883 -15.191 1.00 0.00 C ATOM 228 O PHE A 36 14.998 -2.024 -15.796 1.00 0.00 O ATOM 229 CB PHE A 36 16.057 -4.705 -15.230 1.00 0.00 C ATOM 230 CG PHE A 36 16.624 -5.762 -16.179 1.00 0.00 C ATOM 231 CD1 PHE A 36 15.931 -6.908 -16.413 1.00 0.00 C ATOM 232 CD2 PHE A 36 17.822 -5.555 -16.790 1.00 0.00 C ATOM 233 CE1 PHE A 36 16.457 -7.889 -17.295 1.00 0.00 C ATOM 234 CE2 PHE A 36 18.348 -6.536 -17.671 1.00 0.00 C ATOM 235 CZ PHE A 36 17.654 -7.683 -17.905 1.00 0.00 C ATOM 0 H PHE A 36 14.778 -4.065 -17.545 1.00 0.00 H new ATOM 0 HA PHE A 36 13.922 -4.942 -14.834 1.00 0.00 H new ATOM 0 HB2 PHE A 36 16.648 -3.794 -15.322 1.00 0.00 H new ATOM 0 HB3 PHE A 36 16.169 -5.055 -14.204 1.00 0.00 H new ATOM 0 HD1 PHE A 36 14.980 -7.072 -15.928 1.00 0.00 H new ATOM 0 HD2 PHE A 36 18.373 -4.645 -16.605 1.00 0.00 H new ATOM 0 HE1 PHE A 36 15.906 -8.799 -17.481 1.00 0.00 H new ATOM 0 HE2 PHE A 36 19.299 -6.372 -18.156 1.00 0.00 H new ATOM 0 HZ PHE A 36 18.054 -8.429 -18.575 1.00 0.00 H new ATOM 245 N PHE A 37 13.446 -2.626 -14.266 1.00 0.00 N ATOM 246 CA PHE A 37 13.126 -1.260 -13.889 1.00 0.00 C ATOM 247 C PHE A 37 12.589 -1.197 -12.457 1.00 0.00 C ATOM 248 O PHE A 37 12.156 -2.209 -11.908 1.00 0.00 O ATOM 249 CB PHE A 37 12.039 -0.773 -14.850 1.00 0.00 C ATOM 250 CG PHE A 37 12.581 -0.178 -16.151 1.00 0.00 C ATOM 251 CD1 PHE A 37 13.637 0.678 -16.120 1.00 0.00 C ATOM 252 CD2 PHE A 37 12.006 -0.505 -17.339 1.00 0.00 C ATOM 253 CE1 PHE A 37 14.140 1.230 -17.327 1.00 0.00 C ATOM 254 CE2 PHE A 37 12.508 0.047 -18.547 1.00 0.00 C ATOM 255 CZ PHE A 37 13.565 0.903 -18.516 1.00 0.00 C ATOM 0 H PHE A 37 12.918 -3.341 -13.766 1.00 0.00 H new ATOM 0 HA PHE A 37 14.022 -0.641 -13.940 1.00 0.00 H new ATOM 0 HB2 PHE A 37 11.380 -1.608 -15.091 1.00 0.00 H new ATOM 0 HB3 PHE A 37 11.431 -0.023 -14.345 1.00 0.00 H new ATOM 0 HD1 PHE A 37 14.093 0.938 -15.176 1.00 0.00 H new ATOM 0 HD2 PHE A 37 11.167 -1.185 -17.364 1.00 0.00 H new ATOM 0 HE1 PHE A 37 14.979 1.910 -17.302 1.00 0.00 H new ATOM 0 HE2 PHE A 37 12.051 -0.213 -19.490 1.00 0.00 H new ATOM 0 HZ PHE A 37 13.947 1.323 -19.435 1.00 0.00 H new ATOM 265 N LYS A 38 12.636 0.001 -11.894 1.00 0.00 N ATOM 266 CA LYS A 38 12.160 0.208 -10.537 1.00 0.00 C ATOM 267 C LYS A 38 10.763 0.830 -10.581 1.00 0.00 C ATOM 268 O LYS A 38 10.459 1.622 -11.472 1.00 0.00 O ATOM 269 CB LYS A 38 13.172 1.027 -9.733 1.00 0.00 C ATOM 270 CG LYS A 38 14.419 0.199 -9.415 1.00 0.00 C ATOM 271 CD LYS A 38 14.866 0.414 -7.968 1.00 0.00 C ATOM 272 CE LYS A 38 16.230 -0.231 -7.714 1.00 0.00 C ATOM 273 NZ LYS A 38 16.446 -0.432 -6.263 1.00 0.00 N ATOM 0 H LYS A 38 12.996 0.838 -12.352 1.00 0.00 H new ATOM 0 HA LYS A 38 12.070 -0.745 -10.016 1.00 0.00 H new ATOM 0 HB2 LYS A 38 13.455 1.916 -10.297 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.713 1.370 -8.806 1.00 0.00 H new ATOM 0 HG2 LYS A 38 14.210 -0.858 -9.582 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.226 0.475 -10.093 1.00 0.00 H new ATOM 0 HD2 LYS A 38 14.919 1.482 -7.755 1.00 0.00 H new ATOM 0 HD3 LYS A 38 14.127 -0.010 -7.288 1.00 0.00 H new ATOM 0 HE2 LYS A 38 16.289 -1.188 -8.232 1.00 0.00 H new ATOM 0 HE3 LYS A 38 17.019 0.401 -8.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 17.376 -0.871 -6.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 16.411 0.486 -5.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 15.703 -1.053 -5.884 1.00 0.00 H new ATOM 286 N ILE A 39 9.949 0.448 -9.607 1.00 0.00 N ATOM 287 CA ILE A 39 8.591 0.958 -9.524 1.00 0.00 C ATOM 288 C ILE A 39 8.252 1.257 -8.062 1.00 0.00 C ATOM 289 O ILE A 39 8.983 0.856 -7.157 1.00 0.00 O ATOM 290 CB ILE A 39 7.614 -0.008 -10.197 1.00 0.00 C ATOM 291 CG1 ILE A 39 8.080 -0.364 -11.609 1.00 0.00 C ATOM 292 CG2 ILE A 39 6.192 0.557 -10.188 1.00 0.00 C ATOM 293 CD1 ILE A 39 8.875 -1.672 -11.610 1.00 0.00 C ATOM 0 H ILE A 39 10.204 -0.208 -8.869 1.00 0.00 H new ATOM 0 HA ILE A 39 8.502 1.897 -10.071 1.00 0.00 H new ATOM 0 HB ILE A 39 7.597 -0.933 -9.621 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.217 -0.458 -12.268 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.698 0.442 -12.006 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.517 -0.149 -10.672 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.871 0.718 -9.159 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.174 1.504 -10.727 1.00 0.00 H new ATOM 0 HD11 ILE A 39 9.195 -1.903 -12.626 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.750 -1.566 -10.969 1.00 0.00 H new ATOM 0 HD13 ILE A 39 8.247 -2.480 -11.235 1.00 0.00 H new ATOM 305 N LYS A 40 7.144 1.958 -7.876 1.00 0.00 N ATOM 306 CA LYS A 40 6.699 2.315 -6.540 1.00 0.00 C ATOM 307 C LYS A 40 5.608 1.341 -6.092 1.00 0.00 C ATOM 308 O LYS A 40 4.489 1.752 -5.788 1.00 0.00 O ATOM 309 CB LYS A 40 6.270 3.783 -6.492 1.00 0.00 C ATOM 310 CG LYS A 40 7.443 4.685 -6.103 1.00 0.00 C ATOM 311 CD LYS A 40 8.436 4.822 -7.260 1.00 0.00 C ATOM 312 CE LYS A 40 8.195 6.117 -8.038 1.00 0.00 C ATOM 313 NZ LYS A 40 9.449 6.896 -8.147 1.00 0.00 N ATOM 0 H LYS A 40 6.540 2.289 -8.629 1.00 0.00 H new ATOM 0 HA LYS A 40 7.520 2.223 -5.829 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.882 4.084 -7.465 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.459 3.905 -5.774 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.071 5.670 -5.820 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.950 4.273 -5.231 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.455 4.810 -6.873 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.340 3.968 -7.930 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.816 5.885 -9.033 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.432 6.713 -7.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.268 7.772 -8.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.794 7.133 -7.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.166 6.331 -8.645 1.00 0.00 H new ATOM 326 N LYS A 41 5.971 0.067 -6.066 1.00 0.00 N ATOM 327 CA LYS A 41 5.037 -0.970 -5.661 1.00 0.00 C ATOM 328 C LYS A 41 5.728 -2.333 -5.743 1.00 0.00 C ATOM 329 O LYS A 41 6.496 -2.589 -6.669 1.00 0.00 O ATOM 330 CB LYS A 41 3.750 -0.882 -6.484 1.00 0.00 C ATOM 331 CG LYS A 41 2.627 -0.229 -5.677 1.00 0.00 C ATOM 332 CD LYS A 41 1.787 0.699 -6.557 1.00 0.00 C ATOM 333 CE LYS A 41 1.527 2.034 -5.855 1.00 0.00 C ATOM 334 NZ LYS A 41 1.300 3.106 -6.849 1.00 0.00 N ATOM 0 H LYS A 41 6.900 -0.271 -6.319 1.00 0.00 H new ATOM 0 HA LYS A 41 4.735 -0.827 -4.623 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.933 -0.306 -7.391 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.445 -1.881 -6.796 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.990 -1.000 -5.244 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.052 0.337 -4.848 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.302 0.875 -7.501 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.838 0.219 -6.796 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.659 1.945 -5.202 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.377 2.291 -5.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.125 4.005 -6.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.140 3.201 -7.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.475 2.867 -7.435 1.00 0.00 H new ATOM 347 N THR A 42 5.429 -3.171 -4.761 1.00 0.00 N ATOM 348 CA THR A 42 6.012 -4.502 -4.711 1.00 0.00 C ATOM 349 C THR A 42 5.140 -5.495 -5.480 1.00 0.00 C ATOM 350 O THR A 42 5.650 -6.307 -6.251 1.00 0.00 O ATOM 351 CB THR A 42 6.206 -4.876 -3.240 1.00 0.00 C ATOM 352 OG1 THR A 42 6.393 -6.289 -3.264 1.00 0.00 O ATOM 353 CG2 THR A 42 4.934 -4.682 -2.413 1.00 0.00 C ATOM 0 H THR A 42 4.792 -2.955 -3.995 1.00 0.00 H new ATOM 0 HA THR A 42 6.986 -4.527 -5.200 1.00 0.00 H new ATOM 0 HB THR A 42 7.009 -4.274 -2.815 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.092 -6.537 -2.624 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.127 -4.962 -1.377 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.628 -3.637 -2.455 1.00 0.00 H new ATOM 0 HG23 THR A 42 4.139 -5.309 -2.816 1.00 0.00 H new ATOM 361 N THR A 43 3.839 -5.399 -5.245 1.00 0.00 N ATOM 362 CA THR A 43 2.892 -6.279 -5.907 1.00 0.00 C ATOM 363 C THR A 43 3.392 -6.647 -7.305 1.00 0.00 C ATOM 364 O THR A 43 3.141 -5.923 -8.268 1.00 0.00 O ATOM 365 CB THR A 43 1.527 -5.587 -5.912 1.00 0.00 C ATOM 366 OG1 THR A 43 0.896 -6.073 -7.093 1.00 0.00 O ATOM 367 CG2 THR A 43 1.637 -4.079 -6.142 1.00 0.00 C ATOM 0 H THR A 43 3.419 -4.725 -4.605 1.00 0.00 H new ATOM 0 HA THR A 43 2.791 -7.224 -5.374 1.00 0.00 H new ATOM 0 HB THR A 43 1.021 -5.774 -4.965 1.00 0.00 H new ATOM 0 HG1 THR A 43 1.409 -5.789 -7.878 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.641 -3.636 -6.136 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.237 -3.633 -5.349 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.112 -3.892 -7.105 1.00 0.00 H new ATOM 375 N PRO A 44 4.109 -7.800 -7.374 1.00 0.00 N ATOM 376 CA PRO A 44 4.646 -8.272 -8.639 1.00 0.00 C ATOM 377 C PRO A 44 3.542 -8.865 -9.517 1.00 0.00 C ATOM 378 O PRO A 44 3.459 -8.561 -10.706 1.00 0.00 O ATOM 379 CB PRO A 44 5.712 -9.287 -8.259 1.00 0.00 C ATOM 380 CG PRO A 44 5.413 -9.688 -6.823 1.00 0.00 C ATOM 381 CD PRO A 44 4.425 -8.682 -6.255 1.00 0.00 C ATOM 0 HA PRO A 44 5.074 -7.470 -9.240 1.00 0.00 H new ATOM 0 HB2 PRO A 44 5.681 -10.153 -8.921 1.00 0.00 H new ATOM 0 HB3 PRO A 44 6.710 -8.856 -8.345 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.997 -10.695 -6.786 1.00 0.00 H new ATOM 0 HG3 PRO A 44 6.328 -9.700 -6.231 1.00 0.00 H new ATOM 0 HD2 PRO A 44 3.531 -9.176 -5.876 1.00 0.00 H new ATOM 0 HD3 PRO A 44 4.859 -8.127 -5.424 1.00 0.00 H new ATOM 389 N LEU A 45 2.722 -9.701 -8.897 1.00 0.00 N ATOM 390 CA LEU A 45 1.627 -10.339 -9.607 1.00 0.00 C ATOM 391 C LEU A 45 0.960 -9.318 -10.531 1.00 0.00 C ATOM 392 O LEU A 45 0.530 -9.659 -11.632 1.00 0.00 O ATOM 393 CB LEU A 45 0.661 -10.999 -8.621 1.00 0.00 C ATOM 394 CG LEU A 45 -0.086 -10.053 -7.679 1.00 0.00 C ATOM 395 CD1 LEU A 45 -1.143 -10.808 -6.870 1.00 0.00 C ATOM 396 CD2 LEU A 45 0.889 -9.291 -6.780 1.00 0.00 C ATOM 0 H LEU A 45 2.794 -9.951 -7.911 1.00 0.00 H new ATOM 0 HA LEU A 45 2.001 -11.145 -10.239 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.074 -11.569 -9.189 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.221 -11.713 -8.018 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.611 -9.313 -8.283 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.660 -10.113 -6.208 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.863 -11.266 -7.549 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.661 -11.584 -6.276 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.332 -8.626 -6.120 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.462 -9.999 -6.181 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.570 -8.704 -7.397 1.00 0.00 H new ATOM 408 N ARG A 46 0.894 -8.086 -10.048 1.00 0.00 N ATOM 409 CA ARG A 46 0.287 -7.013 -10.817 1.00 0.00 C ATOM 410 C ARG A 46 1.361 -6.223 -11.567 1.00 0.00 C ATOM 411 O ARG A 46 1.076 -5.590 -12.583 1.00 0.00 O ATOM 412 CB ARG A 46 -0.496 -6.061 -9.910 1.00 0.00 C ATOM 413 CG ARG A 46 -1.713 -6.760 -9.301 1.00 0.00 C ATOM 414 CD ARG A 46 -2.027 -6.203 -7.911 1.00 0.00 C ATOM 415 NE ARG A 46 -3.441 -5.769 -7.848 1.00 0.00 N ATOM 416 CZ ARG A 46 -4.474 -6.593 -7.577 1.00 0.00 C ATOM 417 NH1 ARG A 46 -4.260 -7.905 -7.340 1.00 0.00 N ATOM 418 NH2 ARG A 46 -5.698 -6.098 -7.546 1.00 0.00 N ATOM 0 H ARG A 46 1.251 -7.807 -9.134 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.401 -7.465 -11.531 1.00 0.00 H new ATOM 0 HB2 ARG A 46 0.153 -5.695 -9.115 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.820 -5.192 -10.483 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.576 -6.628 -9.953 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.525 -7.832 -9.233 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.837 -6.964 -7.154 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.370 -5.362 -7.690 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.647 -4.785 -8.020 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -3.312 -8.280 -7.365 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.047 -8.521 -7.136 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.852 -5.106 -7.726 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.490 -6.708 -7.343 1.00 0.00 H new ATOM 431 N ARG A 47 2.574 -6.286 -11.038 1.00 0.00 N ATOM 432 CA ARG A 47 3.693 -5.585 -11.645 1.00 0.00 C ATOM 433 C ARG A 47 4.041 -6.211 -12.997 1.00 0.00 C ATOM 434 O ARG A 47 3.847 -5.589 -14.041 1.00 0.00 O ATOM 435 CB ARG A 47 4.925 -5.626 -10.740 1.00 0.00 C ATOM 436 CG ARG A 47 5.868 -4.459 -11.044 1.00 0.00 C ATOM 437 CD ARG A 47 5.251 -3.128 -10.610 1.00 0.00 C ATOM 438 NE ARG A 47 4.826 -2.356 -11.799 1.00 0.00 N ATOM 439 CZ ARG A 47 3.855 -1.418 -11.786 1.00 0.00 C ATOM 440 NH1 ARG A 47 3.198 -1.128 -10.642 1.00 0.00 N ATOM 441 NH2 ARG A 47 3.557 -0.789 -12.907 1.00 0.00 N ATOM 0 H ARG A 47 2.807 -6.812 -10.196 1.00 0.00 H new ATOM 0 HA ARG A 47 3.395 -4.546 -11.787 1.00 0.00 H new ATOM 0 HB2 ARG A 47 4.615 -5.585 -9.696 1.00 0.00 H new ATOM 0 HB3 ARG A 47 5.452 -6.570 -10.880 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.817 -4.609 -10.528 1.00 0.00 H new ATOM 0 HG3 ARG A 47 6.086 -4.432 -12.112 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.396 -3.309 -9.959 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.975 -2.553 -10.033 1.00 0.00 H new ATOM 0 HE ARG A 47 5.296 -2.544 -12.684 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.434 -1.619 -9.780 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.466 -0.418 -10.640 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.058 -1.014 -13.767 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.826 -0.078 -12.914 1.00 0.00 H new ATOM 454 N LEU A 48 4.549 -7.433 -12.935 1.00 0.00 N ATOM 455 CA LEU A 48 4.926 -8.149 -14.141 1.00 0.00 C ATOM 456 C LEU A 48 3.741 -8.167 -15.109 1.00 0.00 C ATOM 457 O LEU A 48 3.925 -8.076 -16.322 1.00 0.00 O ATOM 458 CB LEU A 48 5.457 -9.541 -13.793 1.00 0.00 C ATOM 459 CG LEU A 48 6.755 -9.957 -14.489 1.00 0.00 C ATOM 460 CD1 LEU A 48 7.875 -10.180 -13.472 1.00 0.00 C ATOM 461 CD2 LEU A 48 6.533 -11.183 -15.376 1.00 0.00 C ATOM 0 H LEU A 48 4.708 -7.945 -12.068 1.00 0.00 H new ATOM 0 HA LEU A 48 5.745 -7.638 -14.648 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.614 -9.589 -12.715 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.687 -10.273 -14.036 1.00 0.00 H new ATOM 0 HG LEU A 48 7.070 -9.142 -15.140 1.00 0.00 H new ATOM 0 HD11 LEU A 48 8.786 -10.475 -13.993 1.00 0.00 H new ATOM 0 HD12 LEU A 48 8.055 -9.257 -12.920 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.584 -10.967 -12.777 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.471 -11.457 -15.859 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.182 -12.015 -14.766 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.788 -10.951 -16.137 1.00 0.00 H new ATOM 473 N MET A 49 2.552 -8.286 -14.537 1.00 0.00 N ATOM 474 CA MET A 49 1.338 -8.318 -15.335 1.00 0.00 C ATOM 475 C MET A 49 1.388 -7.273 -16.451 1.00 0.00 C ATOM 476 O MET A 49 0.987 -7.547 -17.581 1.00 0.00 O ATOM 477 CB MET A 49 0.129 -8.047 -14.436 1.00 0.00 C ATOM 478 CG MET A 49 -1.178 -8.363 -15.165 1.00 0.00 C ATOM 479 SD MET A 49 -1.673 -6.968 -16.163 1.00 0.00 S ATOM 480 CE MET A 49 -2.554 -6.010 -14.941 1.00 0.00 C ATOM 0 H MET A 49 2.403 -8.361 -13.531 1.00 0.00 H new ATOM 0 HA MET A 49 1.250 -9.305 -15.790 1.00 0.00 H new ATOM 0 HB2 MET A 49 0.201 -8.652 -13.532 1.00 0.00 H new ATOM 0 HB3 MET A 49 0.131 -7.003 -14.122 1.00 0.00 H new ATOM 0 HG2 MET A 49 -1.049 -9.244 -15.794 1.00 0.00 H new ATOM 0 HG3 MET A 49 -1.959 -8.599 -14.442 1.00 0.00 H new ATOM 0 HE1 MET A 49 -2.934 -5.097 -15.399 1.00 0.00 H new ATOM 0 HE2 MET A 49 -3.388 -6.595 -14.552 1.00 0.00 H new ATOM 0 HE3 MET A 49 -1.879 -5.753 -14.124 1.00 0.00 H new ATOM 490 N GLU A 50 1.883 -6.096 -16.095 1.00 0.00 N ATOM 491 CA GLU A 50 1.991 -5.009 -17.053 1.00 0.00 C ATOM 492 C GLU A 50 3.433 -4.878 -17.548 1.00 0.00 C ATOM 493 O GLU A 50 3.667 -4.616 -18.726 1.00 0.00 O ATOM 494 CB GLU A 50 1.497 -3.694 -16.447 1.00 0.00 C ATOM 495 CG GLU A 50 0.448 -3.036 -17.345 1.00 0.00 C ATOM 496 CD GLU A 50 -0.925 -3.029 -16.669 1.00 0.00 C ATOM 497 OE1 GLU A 50 -1.033 -2.664 -15.489 1.00 0.00 O ATOM 498 OE2 GLU A 50 -1.902 -3.421 -17.415 1.00 0.00 O ATOM 0 H GLU A 50 2.214 -5.872 -15.156 1.00 0.00 H new ATOM 0 HA GLU A 50 1.355 -5.239 -17.908 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.071 -3.881 -15.461 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.338 -3.015 -16.307 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.750 -2.014 -17.574 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.388 -3.571 -18.293 1.00 0.00 H new ATOM 506 N ALA A 51 4.362 -5.067 -16.622 1.00 0.00 N ATOM 507 CA ALA A 51 5.774 -4.974 -16.949 1.00 0.00 C ATOM 508 C ALA A 51 6.102 -5.966 -18.067 1.00 0.00 C ATOM 509 O ALA A 51 6.405 -5.564 -19.189 1.00 0.00 O ATOM 510 CB ALA A 51 6.607 -5.219 -15.689 1.00 0.00 C ATOM 0 H ALA A 51 4.164 -5.284 -15.645 1.00 0.00 H new ATOM 0 HA ALA A 51 6.018 -3.976 -17.313 1.00 0.00 H new ATOM 0 HB1 ALA A 51 7.667 -5.149 -15.934 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.358 -4.470 -14.937 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.390 -6.213 -15.297 1.00 0.00 H new ATOM 516 N PHE A 52 6.029 -7.243 -17.721 1.00 0.00 N ATOM 517 CA PHE A 52 6.314 -8.295 -18.681 1.00 0.00 C ATOM 518 C PHE A 52 5.419 -8.169 -19.915 1.00 0.00 C ATOM 519 O PHE A 52 5.705 -8.756 -20.957 1.00 0.00 O ATOM 520 CB PHE A 52 6.019 -9.626 -17.986 1.00 0.00 C ATOM 521 CG PHE A 52 5.614 -10.751 -18.942 1.00 0.00 C ATOM 522 CD1 PHE A 52 6.380 -11.025 -20.032 1.00 0.00 C ATOM 523 CD2 PHE A 52 4.489 -11.476 -18.701 1.00 0.00 C ATOM 524 CE1 PHE A 52 6.005 -12.069 -20.919 1.00 0.00 C ATOM 525 CE2 PHE A 52 4.114 -12.519 -19.588 1.00 0.00 C ATOM 526 CZ PHE A 52 4.879 -12.794 -20.678 1.00 0.00 C ATOM 0 H PHE A 52 5.777 -7.572 -16.789 1.00 0.00 H new ATOM 0 HA PHE A 52 7.351 -8.228 -19.009 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.903 -9.937 -17.429 1.00 0.00 H new ATOM 0 HB3 PHE A 52 5.221 -9.476 -17.259 1.00 0.00 H new ATOM 0 HD1 PHE A 52 7.273 -10.449 -20.223 1.00 0.00 H new ATOM 0 HD2 PHE A 52 3.881 -11.258 -17.835 1.00 0.00 H new ATOM 0 HE1 PHE A 52 6.613 -12.287 -21.784 1.00 0.00 H new ATOM 0 HE2 PHE A 52 3.220 -13.095 -19.397 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.593 -13.588 -21.352 1.00 0.00 H new ATOM 536 N ALA A 53 4.353 -7.398 -19.757 1.00 0.00 N ATOM 537 CA ALA A 53 3.414 -7.186 -20.846 1.00 0.00 C ATOM 538 C ALA A 53 3.784 -5.902 -21.590 1.00 0.00 C ATOM 539 O ALA A 53 3.161 -5.560 -22.594 1.00 0.00 O ATOM 540 CB ALA A 53 1.989 -7.148 -20.291 1.00 0.00 C ATOM 0 H ALA A 53 4.119 -6.912 -18.891 1.00 0.00 H new ATOM 0 HA ALA A 53 3.464 -8.007 -21.561 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.285 -6.989 -21.108 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.765 -8.094 -19.798 1.00 0.00 H new ATOM 0 HB3 ALA A 53 1.900 -6.334 -19.572 1.00 0.00 H new ATOM 546 N LYS A 54 4.798 -5.225 -21.070 1.00 0.00 N ATOM 547 CA LYS A 54 5.258 -3.986 -21.673 1.00 0.00 C ATOM 548 C LYS A 54 6.445 -4.282 -22.592 1.00 0.00 C ATOM 549 O LYS A 54 6.746 -3.501 -23.494 1.00 0.00 O ATOM 550 CB LYS A 54 5.561 -2.945 -20.594 1.00 0.00 C ATOM 551 CG LYS A 54 5.377 -1.525 -21.134 1.00 0.00 C ATOM 552 CD LYS A 54 3.899 -1.221 -21.384 1.00 0.00 C ATOM 553 CE LYS A 54 3.569 0.229 -21.023 1.00 0.00 C ATOM 554 NZ LYS A 54 2.346 0.291 -20.192 1.00 0.00 N ATOM 0 H LYS A 54 5.314 -5.511 -20.238 1.00 0.00 H new ATOM 0 HA LYS A 54 4.475 -3.550 -22.293 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.903 -3.101 -19.739 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.583 -3.073 -20.237 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.785 -0.806 -20.423 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.938 -1.409 -22.062 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.659 -1.402 -22.432 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.280 -1.897 -20.793 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.405 0.675 -20.484 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.428 0.813 -21.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.136 1.282 -19.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.547 -0.116 -20.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.494 -0.250 -19.316 1.00 0.00 H new ATOM 567 N ARG A 55 7.087 -5.411 -22.332 1.00 0.00 N ATOM 568 CA ARG A 55 8.234 -5.820 -23.125 1.00 0.00 C ATOM 569 C ARG A 55 7.819 -6.871 -24.156 1.00 0.00 C ATOM 570 O ARG A 55 8.127 -6.741 -25.340 1.00 0.00 O ATOM 571 CB ARG A 55 9.341 -6.393 -22.238 1.00 0.00 C ATOM 572 CG ARG A 55 10.722 -5.971 -22.742 1.00 0.00 C ATOM 573 CD ARG A 55 11.272 -6.984 -23.748 1.00 0.00 C ATOM 574 NE ARG A 55 10.848 -6.619 -25.118 1.00 0.00 N ATOM 575 CZ ARG A 55 11.403 -5.625 -25.842 1.00 0.00 C ATOM 576 NH1 ARG A 55 12.411 -4.886 -25.332 1.00 0.00 N ATOM 577 NH2 ARG A 55 10.945 -5.385 -27.057 1.00 0.00 N ATOM 0 H ARG A 55 6.835 -6.056 -21.583 1.00 0.00 H new ATOM 0 HA ARG A 55 8.616 -4.936 -23.636 1.00 0.00 H new ATOM 0 HB2 ARG A 55 9.204 -6.050 -21.212 1.00 0.00 H new ATOM 0 HB3 ARG A 55 9.273 -7.481 -22.222 1.00 0.00 H new ATOM 0 HG2 ARG A 55 10.658 -4.988 -23.209 1.00 0.00 H new ATOM 0 HG3 ARG A 55 11.408 -5.880 -21.900 1.00 0.00 H new ATOM 0 HD2 ARG A 55 12.360 -7.012 -23.691 1.00 0.00 H new ATOM 0 HD3 ARG A 55 10.914 -7.984 -23.502 1.00 0.00 H new ATOM 0 HE ARG A 55 10.089 -7.152 -25.541 1.00 0.00 H new ATOM 0 HH11 ARG A 55 12.759 -5.077 -24.392 1.00 0.00 H new ATOM 0 HH12 ARG A 55 12.825 -4.136 -25.886 1.00 0.00 H new ATOM 0 HH21 ARG A 55 10.183 -5.947 -27.435 1.00 0.00 H new ATOM 0 HH22 ARG A 55 11.354 -4.637 -27.618 1.00 0.00 H new ATOM 590 N GLN A 56 7.127 -7.891 -23.669 1.00 0.00 N ATOM 591 CA GLN A 56 6.667 -8.964 -24.533 1.00 0.00 C ATOM 592 C GLN A 56 5.190 -8.770 -24.880 1.00 0.00 C ATOM 593 O GLN A 56 4.776 -9.023 -26.010 1.00 0.00 O ATOM 594 CB GLN A 56 6.903 -10.329 -23.884 1.00 0.00 C ATOM 595 CG GLN A 56 7.048 -11.423 -24.945 1.00 0.00 C ATOM 596 CD GLN A 56 8.246 -11.148 -25.855 1.00 0.00 C ATOM 597 OE1 GLN A 56 8.995 -10.202 -25.671 1.00 0.00 O ATOM 598 NE2 GLN A 56 8.385 -12.024 -26.846 1.00 0.00 N ATOM 0 H GLN A 56 6.874 -7.997 -22.687 1.00 0.00 H new ATOM 0 HA GLN A 56 7.244 -8.933 -25.457 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.802 -10.293 -23.269 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.072 -10.569 -23.220 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.170 -12.391 -24.460 1.00 0.00 H new ATOM 0 HG3 GLN A 56 6.138 -11.478 -25.542 1.00 0.00 H new ATOM 0 HE21 GLN A 56 7.723 -12.793 -26.943 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.154 -11.926 -27.509 1.00 0.00 H new ATOM 607 N GLY A 57 4.435 -8.321 -23.888 1.00 0.00 N ATOM 608 CA GLY A 57 3.013 -8.090 -24.074 1.00 0.00 C ATOM 609 C GLY A 57 2.752 -7.275 -25.342 1.00 0.00 C ATOM 610 O GLY A 57 1.655 -7.319 -25.898 1.00 0.00 O ATOM 0 H GLY A 57 4.782 -8.111 -22.952 1.00 0.00 H new ATOM 0 HA2 GLY A 57 2.491 -9.045 -24.137 1.00 0.00 H new ATOM 0 HA3 GLY A 57 2.610 -7.563 -23.209 1.00 0.00 H new ATOM 614 N LYS A 58 3.778 -6.551 -25.764 1.00 0.00 N ATOM 615 CA LYS A 58 3.673 -5.727 -26.956 1.00 0.00 C ATOM 616 C LYS A 58 3.240 -6.599 -28.136 1.00 0.00 C ATOM 617 O LYS A 58 2.460 -6.162 -28.982 1.00 0.00 O ATOM 618 CB LYS A 58 4.979 -4.967 -27.199 1.00 0.00 C ATOM 619 CG LYS A 58 4.703 -3.513 -27.589 1.00 0.00 C ATOM 620 CD LYS A 58 6.008 -2.734 -27.757 1.00 0.00 C ATOM 621 CE LYS A 58 5.747 -1.349 -28.353 1.00 0.00 C ATOM 622 NZ LYS A 58 5.440 -0.374 -27.283 1.00 0.00 N ATOM 0 H LYS A 58 4.687 -6.518 -25.301 1.00 0.00 H new ATOM 0 HA LYS A 58 2.907 -4.963 -26.825 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.593 -4.996 -26.299 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.548 -5.457 -27.989 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.135 -3.484 -28.519 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.088 -3.038 -26.825 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.501 -2.631 -26.790 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.687 -3.290 -28.404 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.620 -1.018 -28.915 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.916 -1.400 -29.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.265 0.561 -27.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.593 -0.683 -26.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.245 -0.313 -26.627 1.00 0.00 H new ATOM 635 N GLU A 59 3.765 -7.815 -28.157 1.00 0.00 N ATOM 636 CA GLU A 59 3.443 -8.752 -29.219 1.00 0.00 C ATOM 637 C GLU A 59 2.230 -9.599 -28.830 1.00 0.00 C ATOM 638 O GLU A 59 1.643 -10.274 -29.675 1.00 0.00 O ATOM 639 CB GLU A 59 4.646 -9.636 -29.554 1.00 0.00 C ATOM 640 CG GLU A 59 5.364 -9.134 -30.808 1.00 0.00 C ATOM 641 CD GLU A 59 6.789 -9.686 -30.881 1.00 0.00 C ATOM 642 OE1 GLU A 59 7.755 -8.940 -30.657 1.00 0.00 O ATOM 643 OE2 GLU A 59 6.875 -10.937 -31.182 1.00 0.00 O ATOM 0 H GLU A 59 4.412 -8.173 -27.454 1.00 0.00 H new ATOM 0 HA GLU A 59 3.192 -8.184 -30.115 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.340 -9.646 -28.713 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.315 -10.663 -29.707 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.807 -9.435 -31.695 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.392 -8.044 -30.804 1.00 0.00 H new ATOM 651 N MET A 60 1.891 -9.537 -27.551 1.00 0.00 N ATOM 652 CA MET A 60 0.759 -10.290 -27.039 1.00 0.00 C ATOM 653 C MET A 60 0.782 -11.731 -27.553 1.00 0.00 C ATOM 654 O MET A 60 -0.266 -12.358 -27.703 1.00 0.00 O ATOM 655 CB MET A 60 -0.543 -9.614 -27.474 1.00 0.00 C ATOM 656 CG MET A 60 -1.269 -8.999 -26.276 1.00 0.00 C ATOM 657 SD MET A 60 -1.892 -10.290 -25.212 1.00 0.00 S ATOM 658 CE MET A 60 -1.069 -9.859 -23.687 1.00 0.00 C ATOM 0 H MET A 60 2.381 -8.977 -26.854 1.00 0.00 H new ATOM 0 HA MET A 60 0.822 -10.311 -25.951 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.326 -8.839 -28.209 1.00 0.00 H new ATOM 0 HB3 MET A 60 -1.190 -10.343 -27.961 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.589 -8.354 -25.720 1.00 0.00 H new ATOM 0 HG3 MET A 60 -2.091 -8.372 -26.621 1.00 0.00 H new ATOM 0 HE1 MET A 60 -1.480 -10.454 -22.871 1.00 0.00 H new ATOM 0 HE2 MET A 60 -0.002 -10.060 -23.780 1.00 0.00 H new ATOM 0 HE3 MET A 60 -1.222 -8.800 -23.477 1.00 0.00 H new ATOM 668 N ASP A 61 1.988 -12.215 -27.809 1.00 0.00 N ATOM 669 CA ASP A 61 2.162 -13.571 -28.302 1.00 0.00 C ATOM 670 C ASP A 61 2.572 -14.482 -27.144 1.00 0.00 C ATOM 671 O ASP A 61 2.550 -15.705 -27.274 1.00 0.00 O ATOM 672 CB ASP A 61 3.261 -13.634 -29.365 1.00 0.00 C ATOM 673 CG ASP A 61 2.825 -13.219 -30.771 1.00 0.00 C ATOM 674 OD1 ASP A 61 2.375 -14.053 -31.572 1.00 0.00 O ATOM 675 OD2 ASP A 61 2.964 -11.965 -31.038 1.00 0.00 O ATOM 0 H ASP A 61 2.855 -11.692 -27.684 1.00 0.00 H new ATOM 0 HA ASP A 61 1.217 -13.894 -28.740 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.085 -12.993 -29.052 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.648 -14.652 -29.407 1.00 0.00 H new ATOM 681 N SER A 62 2.935 -13.852 -26.037 1.00 0.00 N ATOM 682 CA SER A 62 3.349 -14.591 -24.856 1.00 0.00 C ATOM 683 C SER A 62 2.387 -14.311 -23.700 1.00 0.00 C ATOM 684 O SER A 62 2.189 -13.159 -23.317 1.00 0.00 O ATOM 685 CB SER A 62 4.781 -14.230 -24.455 1.00 0.00 C ATOM 686 OG SER A 62 4.818 -13.175 -23.497 1.00 0.00 O ATOM 0 H SER A 62 2.951 -12.837 -25.933 1.00 0.00 H new ATOM 0 HA SER A 62 3.324 -15.655 -25.091 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.275 -15.110 -24.044 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.342 -13.934 -25.342 1.00 0.00 H new ATOM 0 HG SER A 62 5.417 -13.421 -22.762 1.00 0.00 H new ATOM 692 N LEU A 63 1.815 -15.384 -23.175 1.00 0.00 N ATOM 693 CA LEU A 63 0.879 -15.269 -22.070 1.00 0.00 C ATOM 694 C LEU A 63 1.165 -16.370 -21.047 1.00 0.00 C ATOM 695 O LEU A 63 0.241 -16.945 -20.474 1.00 0.00 O ATOM 696 CB LEU A 63 -0.561 -15.268 -22.586 1.00 0.00 C ATOM 697 CG LEU A 63 -0.744 -15.617 -24.064 1.00 0.00 C ATOM 698 CD1 LEU A 63 -2.153 -16.149 -24.332 1.00 0.00 C ATOM 699 CD2 LEU A 63 -0.405 -14.420 -24.956 1.00 0.00 C ATOM 0 H LEU A 63 1.982 -16.338 -23.495 1.00 0.00 H new ATOM 0 HA LEU A 63 1.010 -14.316 -21.557 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.139 -15.975 -21.992 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.988 -14.281 -22.411 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.045 -16.415 -24.315 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.256 -16.389 -25.390 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.322 -17.047 -23.738 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.886 -15.390 -24.059 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.543 -14.695 -26.002 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.062 -13.585 -24.710 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.632 -14.126 -24.792 1.00 0.00 H new ATOM 711 N ARG A 64 2.449 -16.631 -20.850 1.00 0.00 N ATOM 712 CA ARG A 64 2.869 -17.653 -19.906 1.00 0.00 C ATOM 713 C ARG A 64 3.628 -17.018 -18.739 1.00 0.00 C ATOM 714 O ARG A 64 4.805 -16.687 -18.866 1.00 0.00 O ATOM 715 CB ARG A 64 3.764 -18.693 -20.582 1.00 0.00 C ATOM 716 CG ARG A 64 3.751 -20.014 -19.811 1.00 0.00 C ATOM 717 CD ARG A 64 4.406 -21.131 -20.624 1.00 0.00 C ATOM 718 NE ARG A 64 3.884 -22.446 -20.191 1.00 0.00 N ATOM 719 CZ ARG A 64 4.107 -23.604 -20.849 1.00 0.00 C ATOM 720 NH1 ARG A 64 4.847 -23.618 -21.979 1.00 0.00 N ATOM 721 NH2 ARG A 64 3.592 -24.721 -20.372 1.00 0.00 N ATOM 0 H ARG A 64 3.212 -16.152 -21.328 1.00 0.00 H new ATOM 0 HA ARG A 64 1.973 -18.149 -19.534 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.424 -18.861 -21.604 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.784 -18.314 -20.644 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.278 -19.892 -18.865 1.00 0.00 H new ATOM 0 HG3 ARG A 64 2.724 -20.289 -19.571 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.207 -20.984 -21.686 1.00 0.00 H new ATOM 0 HD3 ARG A 64 5.488 -21.100 -20.495 1.00 0.00 H new ATOM 0 HE ARG A 64 3.320 -22.480 -19.342 1.00 0.00 H new ATOM 0 HH11 ARG A 64 5.242 -22.750 -22.341 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.011 -24.497 -22.470 1.00 0.00 H new ATOM 0 HH21 ARG A 64 3.035 -24.702 -19.518 1.00 0.00 H new ATOM 0 HH22 ARG A 64 3.751 -25.604 -20.857 1.00 0.00 H new ATOM 734 N PHE A 65 2.922 -16.869 -17.627 1.00 0.00 N ATOM 735 CA PHE A 65 3.514 -16.280 -16.439 1.00 0.00 C ATOM 736 C PHE A 65 3.838 -17.354 -15.398 1.00 0.00 C ATOM 737 O PHE A 65 2.940 -18.028 -14.896 1.00 0.00 O ATOM 738 CB PHE A 65 2.480 -15.315 -15.854 1.00 0.00 C ATOM 739 CG PHE A 65 1.227 -16.003 -15.309 1.00 0.00 C ATOM 740 CD1 PHE A 65 0.188 -16.284 -16.141 1.00 0.00 C ATOM 741 CD2 PHE A 65 1.151 -16.333 -13.992 1.00 0.00 C ATOM 742 CE1 PHE A 65 -0.975 -16.922 -15.635 1.00 0.00 C ATOM 743 CE2 PHE A 65 -0.012 -16.971 -13.485 1.00 0.00 C ATOM 744 CZ PHE A 65 -1.051 -17.252 -14.317 1.00 0.00 C ATOM 0 H PHE A 65 1.946 -17.146 -17.525 1.00 0.00 H new ATOM 0 HA PHE A 65 4.443 -15.772 -16.699 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.945 -14.742 -15.052 1.00 0.00 H new ATOM 0 HB3 PHE A 65 2.185 -14.603 -16.625 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.248 -16.022 -17.187 1.00 0.00 H new ATOM 0 HD2 PHE A 65 1.976 -16.110 -13.331 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.799 -17.145 -16.296 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.072 -17.233 -12.439 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.936 -17.737 -13.932 1.00 0.00 H new ATOM 754 N LEU A 66 5.124 -17.479 -15.104 1.00 0.00 N ATOM 755 CA LEU A 66 5.577 -18.459 -14.132 1.00 0.00 C ATOM 756 C LEU A 66 6.970 -18.069 -13.632 1.00 0.00 C ATOM 757 O LEU A 66 7.644 -17.242 -14.244 1.00 0.00 O ATOM 758 CB LEU A 66 5.509 -19.869 -14.722 1.00 0.00 C ATOM 759 CG LEU A 66 6.720 -20.312 -15.544 1.00 0.00 C ATOM 760 CD1 LEU A 66 7.904 -20.653 -14.637 1.00 0.00 C ATOM 761 CD2 LEU A 66 6.358 -21.473 -16.473 1.00 0.00 C ATOM 0 H LEU A 66 5.866 -16.918 -15.522 1.00 0.00 H new ATOM 0 HA LEU A 66 4.917 -18.468 -13.265 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.371 -20.577 -13.905 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.623 -19.935 -15.353 1.00 0.00 H new ATOM 0 HG LEU A 66 7.027 -19.478 -16.175 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.752 -20.965 -15.247 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.180 -19.775 -14.054 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.625 -21.463 -13.963 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.237 -21.768 -17.046 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.010 -22.319 -15.880 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.568 -21.160 -17.156 1.00 0.00 H new ATOM 773 N TYR A 67 7.359 -18.682 -12.524 1.00 0.00 N ATOM 774 CA TYR A 67 8.659 -18.409 -11.935 1.00 0.00 C ATOM 775 C TYR A 67 9.600 -19.603 -12.107 1.00 0.00 C ATOM 776 O TYR A 67 10.781 -19.429 -12.404 1.00 0.00 O ATOM 777 CB TYR A 67 8.406 -18.185 -10.442 1.00 0.00 C ATOM 778 CG TYR A 67 9.629 -17.683 -9.673 1.00 0.00 C ATOM 779 CD1 TYR A 67 10.764 -17.296 -10.357 1.00 0.00 C ATOM 780 CD2 TYR A 67 9.598 -17.616 -8.295 1.00 0.00 C ATOM 781 CE1 TYR A 67 11.915 -16.823 -9.633 1.00 0.00 C ATOM 782 CE2 TYR A 67 10.749 -17.142 -7.571 1.00 0.00 C ATOM 783 CZ TYR A 67 11.851 -16.769 -8.276 1.00 0.00 C ATOM 784 OH TYR A 67 12.938 -16.322 -7.592 1.00 0.00 O ATOM 0 H TYR A 67 6.797 -19.367 -12.019 1.00 0.00 H new ATOM 0 HA TYR A 67 9.125 -17.548 -12.414 1.00 0.00 H new ATOM 0 HB2 TYR A 67 7.595 -17.466 -10.325 1.00 0.00 H new ATOM 0 HB3 TYR A 67 8.068 -19.121 -9.997 1.00 0.00 H new ATOM 0 HD1 TYR A 67 10.788 -17.348 -11.435 1.00 0.00 H new ATOM 0 HD2 TYR A 67 8.710 -17.919 -7.759 1.00 0.00 H new ATOM 0 HE1 TYR A 67 12.809 -16.518 -10.156 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.738 -17.084 -6.493 1.00 0.00 H new ATOM 0 HH TYR A 67 13.656 -16.107 -8.223 1.00 0.00 H new ATOM 794 N ASP A 68 9.042 -20.789 -11.913 1.00 0.00 N ATOM 795 CA ASP A 68 9.818 -22.011 -12.043 1.00 0.00 C ATOM 796 C ASP A 68 9.355 -22.773 -13.286 1.00 0.00 C ATOM 797 O ASP A 68 10.012 -22.730 -14.326 1.00 0.00 O ATOM 798 CB ASP A 68 9.619 -22.921 -10.829 1.00 0.00 C ATOM 799 CG ASP A 68 10.651 -22.746 -9.714 1.00 0.00 C ATOM 800 OD1 ASP A 68 11.614 -21.977 -9.850 1.00 0.00 O ATOM 801 OD2 ASP A 68 10.433 -23.449 -8.654 1.00 0.00 O ATOM 0 H ASP A 68 8.062 -20.930 -11.667 1.00 0.00 H new ATOM 0 HA ASP A 68 10.870 -21.737 -12.119 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.626 -22.740 -10.417 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.640 -23.958 -11.164 1.00 0.00 H new ATOM 807 N GLY A 69 8.228 -23.454 -13.139 1.00 0.00 N ATOM 808 CA GLY A 69 7.670 -24.225 -14.237 1.00 0.00 C ATOM 809 C GLY A 69 6.321 -24.834 -13.850 1.00 0.00 C ATOM 810 O GLY A 69 6.007 -25.956 -14.243 1.00 0.00 O ATOM 0 H GLY A 69 7.686 -23.488 -12.276 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.547 -23.584 -15.110 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.363 -25.018 -14.519 1.00 0.00 H new ATOM 814 N ILE A 70 5.559 -24.066 -13.085 1.00 0.00 N ATOM 815 CA ILE A 70 4.251 -24.516 -12.640 1.00 0.00 C ATOM 816 C ILE A 70 3.326 -23.307 -12.487 1.00 0.00 C ATOM 817 O ILE A 70 2.370 -23.347 -11.714 1.00 0.00 O ATOM 818 CB ILE A 70 4.378 -25.358 -11.369 1.00 0.00 C ATOM 819 CG1 ILE A 70 5.034 -24.557 -10.243 1.00 0.00 C ATOM 820 CG2 ILE A 70 5.121 -26.666 -11.650 1.00 0.00 C ATOM 821 CD1 ILE A 70 6.550 -24.760 -10.236 1.00 0.00 C ATOM 0 H ILE A 70 5.822 -23.135 -12.762 1.00 0.00 H new ATOM 0 HA ILE A 70 3.800 -25.171 -13.385 1.00 0.00 H new ATOM 0 HB ILE A 70 3.375 -25.623 -11.033 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.806 -23.498 -10.365 1.00 0.00 H new ATOM 0 HG13 ILE A 70 4.618 -24.864 -9.283 1.00 0.00 H new ATOM 0 HG21 ILE A 70 5.198 -27.246 -10.730 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.575 -27.242 -12.397 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.121 -26.444 -12.023 1.00 0.00 H new ATOM 0 HD11 ILE A 70 6.991 -24.179 -9.426 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.775 -25.816 -10.090 1.00 0.00 H new ATOM 0 HD13 ILE A 70 6.966 -24.429 -11.188 1.00 0.00 H new ATOM 833 N ARG A 71 3.643 -22.261 -13.236 1.00 0.00 N ATOM 834 CA ARG A 71 2.852 -21.043 -13.193 1.00 0.00 C ATOM 835 C ARG A 71 2.893 -20.432 -11.791 1.00 0.00 C ATOM 836 O ARG A 71 1.851 -20.126 -11.212 1.00 0.00 O ATOM 837 CB ARG A 71 1.397 -21.317 -13.580 1.00 0.00 C ATOM 838 CG ARG A 71 1.313 -22.005 -14.944 1.00 0.00 C ATOM 839 CD ARG A 71 0.231 -23.087 -14.946 1.00 0.00 C ATOM 840 NE ARG A 71 0.824 -24.397 -14.594 1.00 0.00 N ATOM 841 CZ ARG A 71 0.105 -25.517 -14.370 1.00 0.00 C ATOM 842 NH1 ARG A 71 -1.242 -25.496 -14.460 1.00 0.00 N ATOM 843 NH2 ARG A 71 0.738 -26.633 -14.062 1.00 0.00 N ATOM 0 H ARG A 71 4.437 -22.232 -13.876 1.00 0.00 H new ATOM 0 HA ARG A 71 3.282 -20.344 -13.910 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.927 -21.945 -12.823 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.841 -20.380 -13.607 1.00 0.00 H new ATOM 0 HG2 ARG A 71 1.095 -21.266 -15.715 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.277 -22.449 -15.191 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.553 -22.830 -14.234 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.237 -23.143 -15.929 1.00 0.00 H new ATOM 0 HE ARG A 71 1.839 -24.457 -14.516 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.724 -24.629 -14.699 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.778 -26.347 -14.289 1.00 0.00 H new ATOM 0 HH21 ARG A 71 1.756 -26.640 -13.996 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.209 -27.488 -13.890 1.00 0.00 H new ATOM 856 N ILE A 72 4.107 -20.274 -11.284 1.00 0.00 N ATOM 857 CA ILE A 72 4.297 -19.705 -9.961 1.00 0.00 C ATOM 858 C ILE A 72 4.921 -18.314 -10.092 1.00 0.00 C ATOM 859 O ILE A 72 5.366 -17.930 -11.173 1.00 0.00 O ATOM 860 CB ILE A 72 5.104 -20.660 -9.078 1.00 0.00 C ATOM 861 CG1 ILE A 72 6.366 -21.138 -9.799 1.00 0.00 C ATOM 862 CG2 ILE A 72 4.239 -21.828 -8.601 1.00 0.00 C ATOM 863 CD1 ILE A 72 7.512 -21.360 -8.809 1.00 0.00 C ATOM 0 H ILE A 72 4.969 -20.530 -11.766 1.00 0.00 H new ATOM 0 HA ILE A 72 3.337 -19.578 -9.460 1.00 0.00 H new ATOM 0 HB ILE A 72 5.427 -20.115 -8.191 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.156 -22.066 -10.331 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.663 -20.402 -10.546 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.836 -22.491 -7.976 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.397 -21.445 -8.024 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.866 -22.381 -9.463 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.397 -21.699 -9.347 1.00 0.00 H new ATOM 0 HD12 ILE A 72 7.736 -20.425 -8.296 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.220 -22.114 -8.078 1.00 0.00 H new ATOM 875 N GLN A 73 4.933 -17.598 -8.978 1.00 0.00 N ATOM 876 CA GLN A 73 5.495 -16.259 -8.955 1.00 0.00 C ATOM 877 C GLN A 73 6.384 -16.076 -7.723 1.00 0.00 C ATOM 878 O GLN A 73 6.491 -16.977 -6.892 1.00 0.00 O ATOM 879 CB GLN A 73 4.391 -15.200 -8.996 1.00 0.00 C ATOM 880 CG GLN A 73 3.764 -15.116 -10.389 1.00 0.00 C ATOM 881 CD GLN A 73 3.222 -13.712 -10.663 1.00 0.00 C ATOM 882 OE1 GLN A 73 3.470 -12.769 -9.930 1.00 0.00 O ATOM 883 NE2 GLN A 73 2.471 -13.625 -11.757 1.00 0.00 N ATOM 0 H GLN A 73 4.562 -17.920 -8.084 1.00 0.00 H new ATOM 0 HA GLN A 73 6.111 -16.130 -9.845 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.623 -15.442 -8.261 1.00 0.00 H new ATOM 0 HB3 GLN A 73 4.803 -14.229 -8.719 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.507 -15.376 -11.143 1.00 0.00 H new ATOM 0 HG3 GLN A 73 2.957 -15.844 -10.473 1.00 0.00 H new ATOM 0 HE21 GLN A 73 2.302 -14.454 -12.327 1.00 0.00 H new ATOM 0 HE22 GLN A 73 2.064 -12.729 -12.026 1.00 0.00 H new ATOM 892 N ALA A 74 6.998 -14.905 -7.644 1.00 0.00 N ATOM 893 CA ALA A 74 7.874 -14.593 -6.527 1.00 0.00 C ATOM 894 C ALA A 74 7.031 -14.120 -5.340 1.00 0.00 C ATOM 895 O ALA A 74 6.643 -14.922 -4.492 1.00 0.00 O ATOM 896 CB ALA A 74 8.905 -13.550 -6.962 1.00 0.00 C ATOM 0 H ALA A 74 6.906 -14.160 -8.335 1.00 0.00 H new ATOM 0 HA ALA A 74 8.422 -15.480 -6.210 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.562 -13.316 -6.124 1.00 0.00 H new ATOM 0 HB2 ALA A 74 9.497 -13.946 -7.788 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.392 -12.644 -7.285 1.00 0.00 H new ATOM 902 N ASP A 75 6.773 -12.821 -5.319 1.00 0.00 N ATOM 903 CA ASP A 75 5.984 -12.232 -4.251 1.00 0.00 C ATOM 904 C ASP A 75 4.577 -11.930 -4.770 1.00 0.00 C ATOM 905 O ASP A 75 4.051 -10.840 -4.551 1.00 0.00 O ATOM 906 CB ASP A 75 6.602 -10.918 -3.770 1.00 0.00 C ATOM 907 CG ASP A 75 8.113 -10.798 -3.982 1.00 0.00 C ATOM 908 OD1 ASP A 75 8.576 -10.370 -5.049 1.00 0.00 O ATOM 909 OD2 ASP A 75 8.835 -11.171 -2.980 1.00 0.00 O ATOM 0 H ASP A 75 7.097 -12.160 -6.025 1.00 0.00 H new ATOM 0 HA ASP A 75 5.954 -12.941 -3.423 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.111 -10.093 -4.286 1.00 0.00 H new ATOM 0 HB3 ASP A 75 6.389 -10.801 -2.707 1.00 0.00 H new ATOM 915 N GLN A 76 4.006 -12.916 -5.447 1.00 0.00 N ATOM 916 CA GLN A 76 2.670 -12.769 -5.998 1.00 0.00 C ATOM 917 C GLN A 76 1.640 -12.660 -4.872 1.00 0.00 C ATOM 918 O GLN A 76 0.470 -12.377 -5.122 1.00 0.00 O ATOM 919 CB GLN A 76 2.334 -13.929 -6.938 1.00 0.00 C ATOM 920 CG GLN A 76 0.822 -14.143 -7.026 1.00 0.00 C ATOM 921 CD GLN A 76 0.304 -14.907 -5.806 1.00 0.00 C ATOM 922 OE1 GLN A 76 1.059 -15.410 -4.990 1.00 0.00 O ATOM 923 NE2 GLN A 76 -1.022 -14.966 -5.728 1.00 0.00 N ATOM 0 H GLN A 76 4.444 -13.819 -5.626 1.00 0.00 H new ATOM 0 HA GLN A 76 2.639 -11.850 -6.583 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.734 -13.725 -7.931 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.814 -14.841 -6.582 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.318 -13.179 -7.097 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.582 -14.695 -7.934 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -1.595 -14.523 -6.446 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -1.466 -15.454 -4.950 1.00 0.00 H new ATOM 932 N THR A 77 2.113 -12.892 -3.656 1.00 0.00 N ATOM 933 CA THR A 77 1.248 -12.823 -2.491 1.00 0.00 C ATOM 934 C THR A 77 1.289 -11.422 -1.878 1.00 0.00 C ATOM 935 O THR A 77 2.330 -10.768 -1.884 1.00 0.00 O ATOM 936 CB THR A 77 1.677 -13.924 -1.519 1.00 0.00 C ATOM 937 OG1 THR A 77 2.053 -15.007 -2.364 1.00 0.00 O ATOM 938 CG2 THR A 77 0.504 -14.476 -0.705 1.00 0.00 C ATOM 0 H THR A 77 3.084 -13.128 -3.453 1.00 0.00 H new ATOM 0 HA THR A 77 0.206 -12.995 -2.761 1.00 0.00 H new ATOM 0 HB THR A 77 2.437 -13.534 -0.842 1.00 0.00 H new ATOM 0 HG1 THR A 77 1.478 -15.018 -3.157 1.00 0.00 H new ATOM 0 HG21 THR A 77 0.863 -15.254 -0.031 1.00 0.00 H new ATOM 0 HG22 THR A 77 0.054 -13.671 -0.123 1.00 0.00 H new ATOM 0 HG23 THR A 77 -0.242 -14.896 -1.380 1.00 0.00 H new ATOM 946 N PRO A 78 0.112 -10.991 -1.351 1.00 0.00 N ATOM 947 CA PRO A 78 0.003 -9.679 -0.735 1.00 0.00 C ATOM 948 C PRO A 78 0.667 -9.663 0.643 1.00 0.00 C ATOM 949 O PRO A 78 0.853 -8.601 1.234 1.00 0.00 O ATOM 950 CB PRO A 78 -1.489 -9.393 -0.680 1.00 0.00 C ATOM 951 CG PRO A 78 -2.177 -10.739 -0.836 1.00 0.00 C ATOM 952 CD PRO A 78 -1.142 -11.738 -1.326 1.00 0.00 C ATOM 0 HA PRO A 78 0.523 -8.905 -1.299 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.762 -8.922 0.264 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -1.785 -8.708 -1.475 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -2.601 -11.064 0.114 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -3.002 -10.666 -1.544 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -1.077 -12.599 -0.661 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -1.396 -12.118 -2.315 1.00 0.00 H new ATOM 960 N GLU A 79 1.005 -10.854 1.115 1.00 0.00 N ATOM 961 CA GLU A 79 1.643 -10.991 2.413 1.00 0.00 C ATOM 962 C GLU A 79 3.158 -11.134 2.247 1.00 0.00 C ATOM 963 O GLU A 79 3.902 -11.068 3.224 1.00 0.00 O ATOM 964 CB GLU A 79 1.063 -12.175 3.188 1.00 0.00 C ATOM 965 CG GLU A 79 -0.282 -11.810 3.820 1.00 0.00 C ATOM 966 CD GLU A 79 -0.773 -12.924 4.747 1.00 0.00 C ATOM 967 OE1 GLU A 79 -1.176 -13.996 4.270 1.00 0.00 O ATOM 968 OE2 GLU A 79 -0.724 -12.647 6.006 1.00 0.00 O ATOM 0 H GLU A 79 0.849 -11.733 0.622 1.00 0.00 H new ATOM 0 HA GLU A 79 1.443 -10.089 2.991 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.935 -13.025 2.518 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.762 -12.483 3.965 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.184 -10.881 4.382 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.019 -11.632 3.037 1.00 0.00 H new ATOM 976 N ASP A 80 3.569 -11.326 1.002 1.00 0.00 N ATOM 977 CA ASP A 80 4.981 -11.479 0.696 1.00 0.00 C ATOM 978 C ASP A 80 5.520 -10.164 0.129 1.00 0.00 C ATOM 979 O ASP A 80 6.559 -9.674 0.570 1.00 0.00 O ATOM 980 CB ASP A 80 5.202 -12.572 -0.352 1.00 0.00 C ATOM 981 CG ASP A 80 6.653 -13.025 -0.517 1.00 0.00 C ATOM 982 OD1 ASP A 80 7.595 -12.258 -0.266 1.00 0.00 O ATOM 983 OD2 ASP A 80 6.802 -14.239 -0.928 1.00 0.00 O ATOM 0 H ASP A 80 2.949 -11.379 0.194 1.00 0.00 H new ATOM 0 HA ASP A 80 5.498 -11.752 1.616 1.00 0.00 H new ATOM 0 HB2 ASP A 80 4.595 -13.437 -0.086 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.838 -12.211 -1.314 1.00 0.00 H new ATOM 989 N LEU A 81 4.790 -9.630 -0.839 1.00 0.00 N ATOM 990 CA LEU A 81 5.183 -8.382 -1.470 1.00 0.00 C ATOM 991 C LEU A 81 5.301 -7.291 -0.404 1.00 0.00 C ATOM 992 O LEU A 81 6.280 -6.546 -0.378 1.00 0.00 O ATOM 993 CB LEU A 81 4.220 -8.029 -2.606 1.00 0.00 C ATOM 994 CG LEU A 81 2.737 -7.974 -2.234 1.00 0.00 C ATOM 995 CD1 LEU A 81 2.340 -6.571 -1.768 1.00 0.00 C ATOM 996 CD2 LEU A 81 1.863 -8.461 -3.391 1.00 0.00 C ATOM 0 H LEU A 81 3.929 -10.039 -1.202 1.00 0.00 H new ATOM 0 HA LEU A 81 6.164 -8.483 -1.934 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.509 -7.060 -3.013 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.347 -8.760 -3.404 1.00 0.00 H new ATOM 0 HG LEU A 81 2.570 -8.651 -1.397 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.281 -6.559 -1.510 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.930 -6.298 -0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.526 -5.855 -2.569 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.814 -8.412 -3.100 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.028 -7.828 -4.263 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.124 -9.491 -3.635 1.00 0.00 H new ATOM 1008 N ASP A 82 4.291 -7.232 0.451 1.00 0.00 N ATOM 1009 CA ASP A 82 4.269 -6.245 1.518 1.00 0.00 C ATOM 1010 C ASP A 82 5.365 -6.574 2.533 1.00 0.00 C ATOM 1011 O ASP A 82 5.677 -5.760 3.401 1.00 0.00 O ATOM 1012 CB ASP A 82 2.927 -6.255 2.251 1.00 0.00 C ATOM 1013 CG ASP A 82 2.265 -4.885 2.407 1.00 0.00 C ATOM 1014 OD1 ASP A 82 2.114 -4.372 3.526 1.00 0.00 O ATOM 1015 OD2 ASP A 82 1.891 -4.331 1.304 1.00 0.00 O ATOM 0 H ASP A 82 3.481 -7.852 0.427 1.00 0.00 H new ATOM 0 HA ASP A 82 4.428 -5.263 1.072 1.00 0.00 H new ATOM 0 HB2 ASP A 82 2.243 -6.913 1.716 1.00 0.00 H new ATOM 0 HB3 ASP A 82 3.074 -6.685 3.242 1.00 0.00 H new ATOM 1021 N MET A 83 5.919 -7.769 2.392 1.00 0.00 N ATOM 1022 CA MET A 83 6.974 -8.216 3.286 1.00 0.00 C ATOM 1023 C MET A 83 8.349 -8.059 2.634 1.00 0.00 C ATOM 1024 O MET A 83 9.087 -7.127 2.950 1.00 0.00 O ATOM 1025 CB MET A 83 6.746 -9.684 3.651 1.00 0.00 C ATOM 1026 CG MET A 83 6.671 -9.867 5.168 1.00 0.00 C ATOM 1027 SD MET A 83 5.002 -10.277 5.652 1.00 0.00 S ATOM 1028 CE MET A 83 4.127 -8.884 4.959 1.00 0.00 C ATOM 0 H MET A 83 5.657 -8.442 1.672 1.00 0.00 H new ATOM 0 HA MET A 83 6.947 -7.601 4.185 1.00 0.00 H new ATOM 0 HB2 MET A 83 5.822 -10.037 3.193 1.00 0.00 H new ATOM 0 HB3 MET A 83 7.555 -10.293 3.247 1.00 0.00 H new ATOM 0 HG2 MET A 83 7.354 -10.657 5.481 1.00 0.00 H new ATOM 0 HG3 MET A 83 6.990 -8.953 5.669 1.00 0.00 H new ATOM 0 HE1 MET A 83 3.108 -8.865 5.346 1.00 0.00 H new ATOM 0 HE2 MET A 83 4.637 -7.961 5.234 1.00 0.00 H new ATOM 0 HE3 MET A 83 4.101 -8.974 3.873 1.00 0.00 H new ATOM 1038 N GLU A 84 8.652 -8.985 1.737 1.00 0.00 N ATOM 1039 CA GLU A 84 9.926 -8.961 1.037 1.00 0.00 C ATOM 1040 C GLU A 84 9.972 -7.786 0.059 1.00 0.00 C ATOM 1041 O GLU A 84 8.937 -7.214 -0.280 1.00 0.00 O ATOM 1042 CB GLU A 84 10.180 -10.286 0.316 1.00 0.00 C ATOM 1043 CG GLU A 84 11.676 -10.505 0.082 1.00 0.00 C ATOM 1044 CD GLU A 84 12.093 -11.920 0.489 1.00 0.00 C ATOM 1045 OE1 GLU A 84 12.325 -12.772 -0.381 1.00 0.00 O ATOM 1046 OE2 GLU A 84 12.175 -12.119 1.760 1.00 0.00 O ATOM 0 H GLU A 84 8.038 -9.757 1.478 1.00 0.00 H new ATOM 0 HA GLU A 84 10.720 -8.827 1.772 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.776 -11.109 0.906 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.654 -10.291 -0.639 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.911 -10.341 -0.970 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.248 -9.775 0.654 1.00 0.00 H new ATOM 1054 N ASP A 85 11.183 -7.461 -0.369 1.00 0.00 N ATOM 1055 CA ASP A 85 11.378 -6.364 -1.302 1.00 0.00 C ATOM 1056 C ASP A 85 12.289 -6.825 -2.441 1.00 0.00 C ATOM 1057 O ASP A 85 13.493 -6.574 -2.418 1.00 0.00 O ATOM 1058 CB ASP A 85 12.045 -5.170 -0.616 1.00 0.00 C ATOM 1059 CG ASP A 85 13.241 -5.519 0.271 1.00 0.00 C ATOM 1060 OD1 ASP A 85 13.191 -6.469 1.066 1.00 0.00 O ATOM 1061 OD2 ASP A 85 14.272 -4.758 0.121 1.00 0.00 O ATOM 0 H ASP A 85 12.039 -7.938 -0.087 1.00 0.00 H new ATOM 0 HA ASP A 85 10.400 -6.063 -1.679 1.00 0.00 H new ATOM 0 HB2 ASP A 85 12.373 -4.467 -1.382 1.00 0.00 H new ATOM 0 HB3 ASP A 85 11.300 -4.656 -0.009 1.00 0.00 H new ATOM 1067 N ASN A 86 11.680 -7.492 -3.410 1.00 0.00 N ATOM 1068 CA ASN A 86 12.422 -7.990 -4.556 1.00 0.00 C ATOM 1069 C ASN A 86 11.451 -8.647 -5.540 1.00 0.00 C ATOM 1070 O ASN A 86 11.213 -9.852 -5.472 1.00 0.00 O ATOM 1071 CB ASN A 86 13.449 -9.042 -4.132 1.00 0.00 C ATOM 1072 CG ASN A 86 14.690 -8.988 -5.025 1.00 0.00 C ATOM 1073 OD1 ASN A 86 15.533 -8.114 -4.907 1.00 0.00 O ATOM 1074 ND2 ASN A 86 14.755 -9.968 -5.922 1.00 0.00 N ATOM 0 H ASN A 86 10.681 -7.699 -3.425 1.00 0.00 H new ATOM 0 HA ASN A 86 12.938 -7.147 -5.016 1.00 0.00 H new ATOM 0 HB2 ASN A 86 13.736 -8.877 -3.094 1.00 0.00 H new ATOM 0 HB3 ASN A 86 13.001 -10.034 -4.185 1.00 0.00 H new ATOM 0 HD21 ASN A 86 15.545 -10.019 -6.565 1.00 0.00 H new ATOM 0 HD22 ASN A 86 14.015 -10.668 -5.967 1.00 0.00 H new ATOM 1081 N ASP A 87 10.917 -7.825 -6.432 1.00 0.00 N ATOM 1082 CA ASP A 87 9.978 -8.311 -7.428 1.00 0.00 C ATOM 1083 C ASP A 87 10.752 -8.904 -8.607 1.00 0.00 C ATOM 1084 O ASP A 87 11.552 -8.215 -9.238 1.00 0.00 O ATOM 1085 CB ASP A 87 9.103 -7.174 -7.961 1.00 0.00 C ATOM 1086 CG ASP A 87 8.073 -6.631 -6.970 1.00 0.00 C ATOM 1087 OD1 ASP A 87 7.706 -7.305 -5.996 1.00 0.00 O ATOM 1088 OD2 ASP A 87 7.636 -5.446 -7.232 1.00 0.00 O ATOM 0 H ASP A 87 11.117 -6.826 -6.485 1.00 0.00 H new ATOM 0 HA ASP A 87 9.345 -9.063 -6.956 1.00 0.00 H new ATOM 0 HB2 ASP A 87 9.750 -6.355 -8.275 1.00 0.00 H new ATOM 0 HB3 ASP A 87 8.579 -7.525 -8.850 1.00 0.00 H new ATOM 1094 N ILE A 88 10.488 -10.176 -8.867 1.00 0.00 N ATOM 1095 CA ILE A 88 11.150 -10.870 -9.958 1.00 0.00 C ATOM 1096 C ILE A 88 10.336 -12.108 -10.338 1.00 0.00 C ATOM 1097 O ILE A 88 10.003 -12.924 -9.480 1.00 0.00 O ATOM 1098 CB ILE A 88 12.604 -11.177 -9.594 1.00 0.00 C ATOM 1099 CG1 ILE A 88 12.872 -12.683 -9.632 1.00 0.00 C ATOM 1100 CG2 ILE A 88 12.972 -10.564 -8.242 1.00 0.00 C ATOM 1101 CD1 ILE A 88 12.289 -13.376 -8.399 1.00 0.00 C ATOM 0 H ILE A 88 9.824 -10.744 -8.341 1.00 0.00 H new ATOM 0 HA ILE A 88 11.195 -10.234 -10.842 1.00 0.00 H new ATOM 0 HB ILE A 88 13.248 -10.716 -10.343 1.00 0.00 H new ATOM 0 HG12 ILE A 88 12.435 -13.111 -10.534 1.00 0.00 H new ATOM 0 HG13 ILE A 88 13.946 -12.864 -9.681 1.00 0.00 H new ATOM 0 HG21 ILE A 88 14.011 -10.797 -8.007 1.00 0.00 H new ATOM 0 HG22 ILE A 88 12.844 -9.482 -8.286 1.00 0.00 H new ATOM 0 HG23 ILE A 88 12.324 -10.975 -7.468 1.00 0.00 H new ATOM 0 HD11 ILE A 88 12.494 -14.445 -8.452 1.00 0.00 H new ATOM 0 HD12 ILE A 88 12.746 -12.963 -7.500 1.00 0.00 H new ATOM 0 HD13 ILE A 88 11.212 -13.214 -8.366 1.00 0.00 H new ATOM 1113 N ILE A 89 10.039 -12.210 -11.625 1.00 0.00 N ATOM 1114 CA ILE A 89 9.271 -13.336 -12.129 1.00 0.00 C ATOM 1115 C ILE A 89 9.757 -13.691 -13.536 1.00 0.00 C ATOM 1116 O ILE A 89 10.537 -12.950 -14.133 1.00 0.00 O ATOM 1117 CB ILE A 89 7.772 -13.038 -12.054 1.00 0.00 C ATOM 1118 CG1 ILE A 89 7.447 -12.166 -10.839 1.00 0.00 C ATOM 1119 CG2 ILE A 89 6.955 -14.331 -12.067 1.00 0.00 C ATOM 1120 CD1 ILE A 89 5.981 -11.728 -10.856 1.00 0.00 C ATOM 0 H ILE A 89 10.316 -11.531 -12.334 1.00 0.00 H new ATOM 0 HA ILE A 89 9.430 -14.215 -11.505 1.00 0.00 H new ATOM 0 HB ILE A 89 7.491 -12.471 -12.942 1.00 0.00 H new ATOM 0 HG12 ILE A 89 7.654 -12.720 -9.923 1.00 0.00 H new ATOM 0 HG13 ILE A 89 8.093 -11.288 -10.834 1.00 0.00 H new ATOM 0 HG21 ILE A 89 5.893 -14.091 -12.013 1.00 0.00 H new ATOM 0 HG22 ILE A 89 7.157 -14.879 -12.987 1.00 0.00 H new ATOM 0 HG23 ILE A 89 7.232 -14.945 -11.210 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.776 -11.110 -9.982 1.00 0.00 H new ATOM 0 HD12 ILE A 89 5.783 -11.154 -11.761 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.338 -12.608 -10.837 1.00 0.00 H new ATOM 1132 N GLU A 90 9.277 -14.825 -14.025 1.00 0.00 N ATOM 1133 CA GLU A 90 9.653 -15.287 -15.350 1.00 0.00 C ATOM 1134 C GLU A 90 8.435 -15.289 -16.277 1.00 0.00 C ATOM 1135 O GLU A 90 7.323 -15.589 -15.845 1.00 0.00 O ATOM 1136 CB GLU A 90 10.295 -16.675 -15.285 1.00 0.00 C ATOM 1137 CG GLU A 90 10.187 -17.392 -16.632 1.00 0.00 C ATOM 1138 CD GLU A 90 10.974 -18.705 -16.618 1.00 0.00 C ATOM 1139 OE1 GLU A 90 11.899 -18.864 -15.808 1.00 0.00 O ATOM 1140 OE2 GLU A 90 10.593 -19.577 -17.489 1.00 0.00 O ATOM 0 H GLU A 90 8.631 -15.437 -13.527 1.00 0.00 H new ATOM 0 HA GLU A 90 10.394 -14.599 -15.757 1.00 0.00 H new ATOM 0 HB2 GLU A 90 11.343 -16.582 -15.001 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.807 -17.269 -14.512 1.00 0.00 H new ATOM 0 HG2 GLU A 90 9.140 -17.594 -16.858 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.565 -16.745 -17.424 1.00 0.00 H new ATOM 1148 N ALA A 91 8.687 -14.952 -17.533 1.00 0.00 N ATOM 1149 CA ALA A 91 7.626 -14.911 -18.524 1.00 0.00 C ATOM 1150 C ALA A 91 7.937 -15.911 -19.640 1.00 0.00 C ATOM 1151 O ALA A 91 9.099 -16.231 -19.885 1.00 0.00 O ATOM 1152 CB ALA A 91 7.471 -13.482 -19.048 1.00 0.00 C ATOM 0 H ALA A 91 9.611 -14.705 -17.887 1.00 0.00 H new ATOM 0 HA ALA A 91 6.674 -15.200 -18.079 1.00 0.00 H new ATOM 0 HB1 ALA A 91 6.675 -13.452 -19.792 1.00 0.00 H new ATOM 0 HB2 ALA A 91 7.221 -12.817 -18.222 1.00 0.00 H new ATOM 0 HB3 ALA A 91 8.406 -13.158 -19.505 1.00 0.00 H new ATOM 1158 N HIS A 92 6.878 -16.376 -20.286 1.00 0.00 N ATOM 1159 CA HIS A 92 7.023 -17.333 -21.369 1.00 0.00 C ATOM 1160 C HIS A 92 5.891 -17.140 -22.380 1.00 0.00 C ATOM 1161 O HIS A 92 5.036 -16.273 -22.202 1.00 0.00 O ATOM 1162 CB HIS A 92 7.097 -18.762 -20.826 1.00 0.00 C ATOM 1163 CG HIS A 92 8.443 -19.420 -21.010 1.00 0.00 C ATOM 1164 ND1 HIS A 92 8.843 -20.526 -20.280 1.00 0.00 N ATOM 1165 CD2 HIS A 92 9.477 -19.117 -21.847 1.00 0.00 C ATOM 1166 CE1 HIS A 92 10.064 -20.864 -20.668 1.00 0.00 C ATOM 1167 NE2 HIS A 92 10.455 -19.990 -21.639 1.00 0.00 N ATOM 0 H HIS A 92 5.916 -16.108 -20.080 1.00 0.00 H new ATOM 0 HA HIS A 92 7.963 -17.156 -21.891 1.00 0.00 H new ATOM 0 HB2 HIS A 92 6.853 -18.749 -19.764 1.00 0.00 H new ATOM 0 HB3 HIS A 92 6.337 -19.367 -21.321 1.00 0.00 H new ATOM 0 HD2 HIS A 92 9.496 -18.305 -22.558 1.00 0.00 H new ATOM 0 HE1 HIS A 92 10.647 -21.687 -20.283 1.00 0.00 H new ATOM 0 HE2 HIS A 92 11.351 -20.005 -22.125 1.00 0.00 H new ATOM 1175 N ARG A 93 5.920 -17.963 -23.418 1.00 0.00 N ATOM 1176 CA ARG A 93 4.907 -17.894 -24.456 1.00 0.00 C ATOM 1177 C ARG A 93 3.851 -18.980 -24.241 1.00 0.00 C ATOM 1178 O ARG A 93 4.177 -20.100 -23.849 1.00 0.00 O ATOM 1179 CB ARG A 93 5.528 -18.065 -25.844 1.00 0.00 C ATOM 1180 CG ARG A 93 6.852 -17.307 -25.949 1.00 0.00 C ATOM 1181 CD ARG A 93 6.612 -15.813 -26.179 1.00 0.00 C ATOM 1182 NE ARG A 93 7.462 -15.328 -27.289 1.00 0.00 N ATOM 1183 CZ ARG A 93 8.785 -15.082 -27.177 1.00 0.00 C ATOM 1184 NH1 ARG A 93 9.421 -15.274 -26.002 1.00 0.00 N ATOM 1185 NH2 ARG A 93 9.447 -14.651 -28.235 1.00 0.00 N ATOM 0 H ARG A 93 6.630 -18.681 -23.562 1.00 0.00 H new ATOM 0 HA ARG A 93 4.440 -16.911 -24.398 1.00 0.00 H new ATOM 0 HB2 ARG A 93 5.694 -19.124 -26.044 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.836 -17.702 -26.603 1.00 0.00 H new ATOM 0 HG2 ARG A 93 7.430 -17.450 -25.036 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.444 -17.714 -26.768 1.00 0.00 H new ATOM 0 HD2 ARG A 93 5.562 -15.637 -26.411 1.00 0.00 H new ATOM 0 HD3 ARG A 93 6.836 -15.256 -25.269 1.00 0.00 H new ATOM 0 HE ARG A 93 7.021 -15.170 -28.195 1.00 0.00 H new ATOM 0 HH11 ARG A 93 8.902 -15.607 -25.190 1.00 0.00 H new ATOM 0 HH12 ARG A 93 10.421 -15.086 -25.926 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.959 -14.509 -29.119 1.00 0.00 H new ATOM 0 HH22 ARG A 93 10.447 -14.460 -28.168 1.00 0.00 H new ATOM 1198 N GLU A 94 2.606 -18.612 -24.506 1.00 0.00 N ATOM 1199 CA GLU A 94 1.500 -19.541 -24.346 1.00 0.00 C ATOM 1200 C GLU A 94 0.286 -19.063 -25.145 1.00 0.00 C ATOM 1201 O GLU A 94 -0.649 -18.497 -24.581 1.00 0.00 O ATOM 1202 CB GLU A 94 1.147 -19.723 -22.869 1.00 0.00 C ATOM 1203 CG GLU A 94 1.690 -21.051 -22.335 1.00 0.00 C ATOM 1204 CD GLU A 94 0.675 -22.178 -22.537 1.00 0.00 C ATOM 1205 OE1 GLU A 94 -0.188 -22.397 -21.674 1.00 0.00 O ATOM 1206 OE2 GLU A 94 0.805 -22.838 -23.637 1.00 0.00 O ATOM 0 H GLU A 94 2.339 -17.683 -24.831 1.00 0.00 H new ATOM 0 HA GLU A 94 1.807 -20.512 -24.735 1.00 0.00 H new ATOM 0 HB2 GLU A 94 1.559 -18.898 -22.288 1.00 0.00 H new ATOM 0 HB3 GLU A 94 0.065 -19.692 -22.743 1.00 0.00 H new ATOM 0 HG2 GLU A 94 2.621 -21.299 -22.845 1.00 0.00 H new ATOM 0 HG3 GLU A 94 1.924 -20.953 -21.275 1.00 0.00 H new ATOM 1214 N GLN A 95 0.340 -19.308 -26.446 1.00 0.00 N ATOM 1215 CA GLN A 95 -0.744 -18.910 -27.328 1.00 0.00 C ATOM 1216 C GLN A 95 -0.716 -19.742 -28.612 1.00 0.00 C ATOM 1217 O GLN A 95 0.207 -19.619 -29.415 1.00 0.00 O ATOM 1218 CB GLN A 95 -0.675 -17.415 -27.642 1.00 0.00 C ATOM 1219 CG GLN A 95 -1.840 -16.987 -28.537 1.00 0.00 C ATOM 1220 CD GLN A 95 -1.417 -15.866 -29.489 1.00 0.00 C ATOM 1221 OE1 GLN A 95 -0.244 -15.620 -29.718 1.00 0.00 O ATOM 1222 NE2 GLN A 95 -2.436 -15.202 -30.028 1.00 0.00 N ATOM 0 H GLN A 95 1.117 -19.777 -26.911 1.00 0.00 H new ATOM 0 HA GLN A 95 -1.689 -19.097 -26.817 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.696 -16.844 -26.714 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.270 -17.187 -28.135 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.195 -17.842 -29.112 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.673 -16.650 -27.920 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -3.394 -15.460 -29.793 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -2.259 -14.435 -30.676 1.00 0.00 H new ATOM 1231 N ILE A 96 -1.739 -20.570 -28.766 1.00 0.00 N ATOM 1232 CA ILE A 96 -1.843 -21.421 -29.938 1.00 0.00 C ATOM 1233 C ILE A 96 -2.666 -20.706 -31.012 1.00 0.00 C ATOM 1234 O ILE A 96 -3.194 -19.620 -30.773 1.00 0.00 O ATOM 1235 CB ILE A 96 -2.395 -22.796 -29.555 1.00 0.00 C ATOM 1236 CG1 ILE A 96 -3.860 -22.698 -29.125 1.00 0.00 C ATOM 1237 CG2 ILE A 96 -1.526 -23.456 -28.483 1.00 0.00 C ATOM 1238 CD1 ILE A 96 -4.774 -22.495 -30.335 1.00 0.00 C ATOM 0 H ILE A 96 -2.503 -20.669 -28.098 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.856 -21.606 -30.362 1.00 0.00 H new ATOM 0 HB ILE A 96 -2.360 -23.436 -30.437 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -4.149 -23.606 -28.595 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -3.984 -21.869 -28.428 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.940 -24.432 -28.229 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -0.512 -23.580 -28.862 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -1.506 -22.827 -27.593 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -5.810 -22.429 -30.002 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -4.498 -21.574 -30.849 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -4.666 -23.338 -31.018 1.00 0.00 H new TER 1250 ILE A 96