USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 511 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 62 THR OG1 : rot 160:sc= -0.747 USER MOD Set 1.2: A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot -100:sc= -3.08! USER MOD Single : A 27 ASN : amide:sc= -0.21 K(o=-0.21,f=-1.7!) USER MOD Single : A 28 HIS : no HD1:sc= -0.0304 X(o=-0.03,f=0) USER MOD Single : A 29 SER OG : rot 43:sc= 1.26 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 43 ASN : amide:sc= -0.0357 X(o=-0.036,f=-0.49) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.339 USER MOD Single : A 46 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0416) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 177:sc= -3.54! USER MOD Single : A 51 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00161) USER MOD Single : A 54 LYS NZ :NH3+ -154:sc= -0.0459 (180deg=-0.763) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl -140:sc= -2.06! (180deg=-5.02!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 17 -7.041 6.853 9.863 1.00 0.00 N ATOM 2 CA GLY A 17 -6.710 7.375 8.548 1.00 0.00 C ATOM 3 C GLY A 17 -6.012 6.342 7.685 1.00 0.00 C ATOM 4 O GLY A 17 -5.174 6.682 6.850 1.00 0.00 O ATOM 0 HA2 GLY A 17 -7.621 7.707 8.050 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.069 8.250 8.656 1.00 0.00 H new ATOM 8 N LEU A 18 -6.359 5.078 7.894 1.00 0.00 N ATOM 9 CA LEU A 18 -5.766 3.978 7.141 1.00 0.00 C ATOM 10 C LEU A 18 -6.254 3.975 5.695 1.00 0.00 C ATOM 11 O LEU A 18 -7.070 3.119 5.304 1.00 0.00 O ATOM 12 CB LEU A 18 -6.107 2.646 7.812 1.00 0.00 C ATOM 13 CG LEU A 18 -5.049 2.120 8.783 1.00 0.00 C ATOM 14 CD1 LEU A 18 -5.548 0.875 9.499 1.00 0.00 C ATOM 15 CD2 LEU A 18 -3.746 1.835 8.050 1.00 0.00 C ATOM 0 H LEU A 18 -7.053 4.787 8.583 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.684 4.113 7.133 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.048 2.758 8.350 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.271 1.898 7.037 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.859 2.888 9.532 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.780 0.517 10.185 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.452 1.115 10.059 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.771 0.099 8.767 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.005 1.462 8.757 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.920 1.086 7.277 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.379 2.753 7.590 1.00 0.00 H new ATOM 27 N MET A 19 -5.721 4.901 4.887 1.00 0.00 N ATOM 28 CA MET A 19 -6.090 4.968 3.474 1.00 0.00 C ATOM 29 C MET A 19 -4.995 4.306 2.678 1.00 0.00 C ATOM 30 O MET A 19 -3.831 4.677 2.808 1.00 0.00 O ATOM 31 CB MET A 19 -6.272 6.421 3.028 1.00 0.00 C ATOM 32 CG MET A 19 -7.156 6.574 1.801 1.00 0.00 C ATOM 33 SD MET A 19 -7.865 8.226 1.657 1.00 0.00 S ATOM 34 CE MET A 19 -7.824 8.459 -0.119 1.00 0.00 C ATOM 0 H MET A 19 -5.043 5.603 5.185 1.00 0.00 H new ATOM 0 HA MET A 19 -7.039 4.456 3.312 1.00 0.00 H new ATOM 0 HB2 MET A 19 -6.703 6.993 3.850 1.00 0.00 H new ATOM 0 HB3 MET A 19 -5.294 6.853 2.817 1.00 0.00 H new ATOM 0 HG2 MET A 19 -6.572 6.355 0.907 1.00 0.00 H new ATOM 0 HG3 MET A 19 -7.961 5.840 1.844 1.00 0.00 H new ATOM 0 HE1 MET A 19 -8.232 9.439 -0.367 1.00 0.00 H new ATOM 0 HE2 MET A 19 -6.794 8.395 -0.471 1.00 0.00 H new ATOM 0 HE3 MET A 19 -8.421 7.685 -0.601 1.00 0.00 H new ATOM 44 N VAL A 20 -5.332 3.306 1.888 1.00 0.00 N ATOM 45 CA VAL A 20 -4.311 2.585 1.147 1.00 0.00 C ATOM 46 C VAL A 20 -4.717 2.301 -0.290 1.00 0.00 C ATOM 47 O VAL A 20 -5.888 2.130 -0.585 1.00 0.00 O ATOM 48 CB VAL A 20 -4.053 1.242 1.872 1.00 0.00 C ATOM 49 CG1 VAL A 20 -5.355 0.473 2.015 1.00 0.00 C ATOM 50 CG2 VAL A 20 -3.012 0.381 1.172 1.00 0.00 C ATOM 0 H VAL A 20 -6.286 2.977 1.742 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.417 3.207 1.110 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.652 1.483 2.856 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.166 -0.471 2.526 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.065 1.064 2.595 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.770 0.274 1.027 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.874 -0.547 1.727 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.349 0.152 0.161 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.066 0.920 1.126 1.00 0.00 H new ATOM 60 N GLU A 21 -3.737 2.165 -1.171 1.00 0.00 N ATOM 61 CA GLU A 21 -4.013 1.768 -2.543 1.00 0.00 C ATOM 62 C GLU A 21 -3.509 0.346 -2.609 1.00 0.00 C ATOM 63 O GLU A 21 -2.355 0.095 -2.261 1.00 0.00 O ATOM 64 CB GLU A 21 -3.297 2.653 -3.565 1.00 0.00 C ATOM 65 CG GLU A 21 -3.342 2.106 -4.984 1.00 0.00 C ATOM 66 CD GLU A 21 -2.162 1.211 -5.307 1.00 0.00 C ATOM 67 OE1 GLU A 21 -2.220 0.009 -4.973 1.00 0.00 O ATOM 68 OE2 GLU A 21 -1.182 1.710 -5.897 1.00 0.00 O ATOM 0 H GLU A 21 -2.751 2.322 -0.963 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.070 1.864 -2.790 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.748 3.645 -3.553 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.256 2.772 -3.264 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.266 1.545 -5.123 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.365 2.938 -5.688 1.00 0.00 H new ATOM 75 N VAL A 22 -4.356 -0.606 -2.964 1.00 0.00 N ATOM 76 CA VAL A 22 -3.900 -1.991 -2.915 1.00 0.00 C ATOM 77 C VAL A 22 -4.122 -2.805 -4.165 1.00 0.00 C ATOM 78 O VAL A 22 -5.208 -2.810 -4.743 1.00 0.00 O ATOM 79 CB VAL A 22 -4.597 -2.727 -1.759 1.00 0.00 C ATOM 80 CG1 VAL A 22 -3.976 -4.100 -1.533 1.00 0.00 C ATOM 81 CG2 VAL A 22 -4.544 -1.895 -0.490 1.00 0.00 C ATOM 0 H VAL A 22 -5.317 -0.462 -3.275 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.821 -1.909 -2.784 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.643 -2.874 -2.030 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.487 -4.600 -0.710 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.076 -4.698 -2.439 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.920 -3.986 -1.288 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.042 -2.431 0.318 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.504 -1.713 -0.218 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.047 -0.943 -0.658 1.00 0.00 H new ATOM 91 N VAL A 23 -3.103 -3.591 -4.501 1.00 0.00 N ATOM 92 CA VAL A 23 -3.212 -4.527 -5.589 1.00 0.00 C ATOM 93 C VAL A 23 -2.893 -5.915 -5.029 1.00 0.00 C ATOM 94 O VAL A 23 -1.788 -6.190 -4.554 1.00 0.00 O ATOM 95 CB VAL A 23 -2.257 -4.197 -6.754 1.00 0.00 C ATOM 96 CG1 VAL A 23 -2.828 -3.074 -7.608 1.00 0.00 C ATOM 97 CG2 VAL A 23 -0.876 -3.831 -6.236 1.00 0.00 C ATOM 0 H VAL A 23 -2.198 -3.590 -4.030 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.221 -4.479 -5.998 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.157 -5.086 -7.376 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.142 -2.854 -8.426 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.791 -3.381 -8.016 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.961 -2.182 -6.995 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.221 -3.603 -7.077 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.950 -2.959 -5.586 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.465 -4.669 -5.673 1.00 0.00 H new ATOM 107 N GLU A 24 -3.890 -6.768 -5.104 1.00 0.00 N ATOM 108 CA GLU A 24 -3.822 -8.136 -4.617 1.00 0.00 C ATOM 109 C GLU A 24 -4.678 -9.082 -5.466 1.00 0.00 C ATOM 110 O GLU A 24 -5.362 -8.659 -6.412 1.00 0.00 O ATOM 111 CB GLU A 24 -4.288 -8.198 -3.158 1.00 0.00 C ATOM 112 CG GLU A 24 -3.377 -7.459 -2.191 1.00 0.00 C ATOM 113 CD GLU A 24 -3.016 -8.290 -0.974 1.00 0.00 C ATOM 114 OE1 GLU A 24 -3.037 -9.534 -1.076 1.00 0.00 O ATOM 115 OE2 GLU A 24 -2.711 -7.696 0.081 1.00 0.00 O ATOM 0 H GLU A 24 -4.793 -6.529 -5.514 1.00 0.00 H new ATOM 0 HA GLU A 24 -2.784 -8.460 -4.689 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.292 -7.779 -3.089 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.356 -9.242 -2.852 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.464 -7.167 -2.710 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.867 -6.541 -1.866 1.00 0.00 H new ATOM 122 N SER A 25 -4.614 -10.368 -5.106 1.00 0.00 N ATOM 123 CA SER A 25 -5.363 -11.430 -5.781 1.00 0.00 C ATOM 124 C SER A 25 -4.561 -12.028 -6.935 1.00 0.00 C ATOM 125 O SER A 25 -3.984 -11.301 -7.743 1.00 0.00 O ATOM 126 CB SER A 25 -6.718 -10.918 -6.273 1.00 0.00 C ATOM 127 OG SER A 25 -7.396 -10.211 -5.247 1.00 0.00 O ATOM 0 H SER A 25 -4.038 -10.702 -4.334 1.00 0.00 H new ATOM 0 HA SER A 25 -5.541 -12.221 -5.052 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.574 -10.266 -7.135 1.00 0.00 H new ATOM 0 HB3 SER A 25 -7.329 -11.757 -6.607 1.00 0.00 H new ATOM 0 HG SER A 25 -8.068 -10.794 -4.837 1.00 0.00 H new ATOM 133 N PRO A 26 -4.509 -13.375 -7.019 1.00 0.00 N ATOM 134 CA PRO A 26 -3.766 -14.078 -8.074 1.00 0.00 C ATOM 135 C PRO A 26 -4.170 -13.637 -9.475 1.00 0.00 C ATOM 136 O PRO A 26 -4.979 -14.291 -10.135 1.00 0.00 O ATOM 137 CB PRO A 26 -4.132 -15.548 -7.854 1.00 0.00 C ATOM 138 CG PRO A 26 -4.524 -15.635 -6.421 1.00 0.00 C ATOM 139 CD PRO A 26 -5.162 -14.316 -6.088 1.00 0.00 C ATOM 0 HA PRO A 26 -2.697 -13.874 -8.013 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -4.950 -15.853 -8.507 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -3.288 -16.202 -8.073 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -5.219 -16.458 -6.255 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -3.655 -15.819 -5.789 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -6.242 -14.343 -6.236 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -4.990 -14.037 -5.048 1.00 0.00 H new ATOM 147 N ASN A 27 -3.598 -12.526 -9.927 1.00 0.00 N ATOM 148 CA ASN A 27 -3.891 -11.996 -11.253 1.00 0.00 C ATOM 149 C ASN A 27 -3.142 -10.690 -11.489 1.00 0.00 C ATOM 150 O ASN A 27 -2.755 -10.005 -10.542 1.00 0.00 O ATOM 151 CB ASN A 27 -5.396 -11.771 -11.423 1.00 0.00 C ATOM 152 CG ASN A 27 -5.899 -12.218 -12.781 1.00 0.00 C ATOM 153 OD1 ASN A 27 -5.333 -13.119 -13.400 1.00 0.00 O ATOM 154 ND2 ASN A 27 -6.968 -11.587 -13.253 1.00 0.00 N ATOM 0 H ASN A 27 -2.927 -11.974 -9.393 1.00 0.00 H new ATOM 0 HA ASN A 27 -3.559 -12.728 -11.989 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.932 -12.313 -10.644 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.620 -10.713 -11.286 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -7.351 -11.844 -14.163 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.406 -10.846 -12.706 1.00 0.00 H new ATOM 161 N HIS A 28 -2.940 -10.350 -12.757 1.00 0.00 N ATOM 162 CA HIS A 28 -2.238 -9.123 -13.112 1.00 0.00 C ATOM 163 C HIS A 28 -2.911 -7.907 -12.482 1.00 0.00 C ATOM 164 O HIS A 28 -2.280 -6.867 -12.291 1.00 0.00 O ATOM 165 CB HIS A 28 -2.186 -8.964 -14.633 1.00 0.00 C ATOM 166 CG HIS A 28 -1.366 -10.017 -15.314 1.00 0.00 C ATOM 167 ND1 HIS A 28 -1.265 -10.123 -16.686 1.00 0.00 N ATOM 168 CD2 HIS A 28 -0.605 -11.013 -14.804 1.00 0.00 C ATOM 169 CE1 HIS A 28 -0.479 -11.141 -16.989 1.00 0.00 C ATOM 170 NE2 HIS A 28 -0.064 -11.696 -15.865 1.00 0.00 N ATOM 0 H HIS A 28 -3.252 -10.905 -13.554 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.221 -9.190 -12.726 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -3.201 -8.992 -15.029 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.777 -7.983 -14.875 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -0.452 -11.230 -13.757 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -0.220 -11.464 -17.986 1.00 0.00 H new ATOM 0 HE2 HIS A 28 0.558 -12.502 -15.796 1.00 0.00 H new ATOM 179 N SER A 29 -4.196 -8.043 -12.157 1.00 0.00 N ATOM 180 CA SER A 29 -4.948 -6.955 -11.545 1.00 0.00 C ATOM 181 C SER A 29 -6.375 -7.392 -11.217 1.00 0.00 C ATOM 182 O SER A 29 -7.341 -6.757 -11.640 1.00 0.00 O ATOM 183 CB SER A 29 -4.973 -5.741 -12.476 1.00 0.00 C ATOM 184 OG SER A 29 -3.882 -4.876 -12.217 1.00 0.00 O ATOM 0 H SER A 29 -4.735 -8.896 -12.308 1.00 0.00 H new ATOM 0 HA SER A 29 -4.451 -6.681 -10.614 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.939 -6.074 -13.513 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.910 -5.199 -12.346 1.00 0.00 H new ATOM 0 HG SER A 29 -3.068 -5.406 -12.087 1.00 0.00 H new ATOM 190 N GLU A 30 -6.504 -8.477 -10.457 1.00 0.00 N ATOM 191 CA GLU A 30 -7.817 -8.984 -10.075 1.00 0.00 C ATOM 192 C GLU A 30 -8.526 -7.991 -9.153 1.00 0.00 C ATOM 193 O GLU A 30 -9.504 -7.360 -9.557 1.00 0.00 O ATOM 194 CB GLU A 30 -7.689 -10.358 -9.410 1.00 0.00 C ATOM 195 CG GLU A 30 -8.969 -10.853 -8.750 1.00 0.00 C ATOM 196 CD GLU A 30 -9.464 -12.158 -9.343 1.00 0.00 C ATOM 197 OE1 GLU A 30 -8.706 -13.150 -9.310 1.00 0.00 O ATOM 198 OE2 GLU A 30 -10.609 -12.189 -9.841 1.00 0.00 O ATOM 0 H GLU A 30 -5.719 -9.019 -10.096 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.421 -9.100 -10.975 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.376 -11.084 -10.160 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.900 -10.314 -8.659 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.795 -10.986 -7.682 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.744 -10.094 -8.854 1.00 0.00 H new ATOM 205 N VAL A 31 -8.026 -7.824 -7.927 1.00 0.00 N ATOM 206 CA VAL A 31 -8.629 -6.868 -6.999 1.00 0.00 C ATOM 207 C VAL A 31 -7.624 -5.787 -6.674 1.00 0.00 C ATOM 208 O VAL A 31 -6.930 -5.854 -5.642 1.00 0.00 O ATOM 209 CB VAL A 31 -9.076 -7.521 -5.683 1.00 0.00 C ATOM 210 CG1 VAL A 31 -10.051 -6.622 -4.946 1.00 0.00 C ATOM 211 CG2 VAL A 31 -9.682 -8.900 -5.916 1.00 0.00 C ATOM 0 H VAL A 31 -7.220 -8.329 -7.559 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.512 -6.460 -7.490 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.190 -7.655 -5.063 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -10.356 -7.102 -4.016 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.570 -5.670 -4.722 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -10.928 -6.448 -5.570 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -9.986 -9.330 -4.962 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -10.552 -8.810 -6.567 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -8.942 -9.548 -6.386 1.00 0.00 H new ATOM 221 N GLY A 32 -7.588 -4.749 -7.482 1.00 0.00 N ATOM 222 CA GLY A 32 -6.707 -3.654 -7.216 1.00 0.00 C ATOM 223 C GLY A 32 -7.493 -2.395 -7.350 1.00 0.00 C ATOM 224 O GLY A 32 -7.934 -2.020 -8.419 1.00 0.00 O ATOM 0 H GLY A 32 -8.159 -4.649 -8.322 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.286 -3.737 -6.214 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.870 -3.658 -7.915 1.00 0.00 H new ATOM 228 N ILE A 33 -7.628 -1.703 -6.278 1.00 0.00 N ATOM 229 CA ILE A 33 -8.363 -0.492 -6.304 1.00 0.00 C ATOM 230 C ILE A 33 -8.005 0.385 -5.143 1.00 0.00 C ATOM 231 O ILE A 33 -7.142 0.058 -4.315 1.00 0.00 O ATOM 232 CB ILE A 33 -9.885 -0.803 -6.395 1.00 0.00 C ATOM 233 CG1 ILE A 33 -10.327 -0.533 -7.825 1.00 0.00 C ATOM 234 CG2 ILE A 33 -10.739 -0.042 -5.382 1.00 0.00 C ATOM 235 CD1 ILE A 33 -10.590 0.928 -8.129 1.00 0.00 C ATOM 0 H ILE A 33 -7.238 -1.955 -5.370 1.00 0.00 H new ATOM 0 HA ILE A 33 -8.096 0.077 -7.195 1.00 0.00 H new ATOM 0 HB ILE A 33 -10.039 -1.850 -6.133 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -9.560 -0.902 -8.506 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -11.234 -1.103 -8.027 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -11.786 -0.315 -5.511 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -10.420 -0.298 -4.372 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -10.621 1.030 -5.539 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -10.900 1.033 -9.169 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -11.379 1.299 -7.475 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -9.680 1.504 -7.962 1.00 0.00 H new ATOM 247 N LYS A 34 -8.668 1.502 -5.109 1.00 0.00 N ATOM 248 CA LYS A 34 -8.496 2.418 -4.010 1.00 0.00 C ATOM 249 C LYS A 34 -9.279 1.755 -2.884 1.00 0.00 C ATOM 250 O LYS A 34 -10.457 1.438 -3.051 1.00 0.00 O ATOM 251 CB LYS A 34 -9.057 3.805 -4.338 1.00 0.00 C ATOM 252 CG LYS A 34 -7.988 4.872 -4.502 1.00 0.00 C ATOM 253 CD LYS A 34 -8.593 6.267 -4.540 1.00 0.00 C ATOM 254 CE LYS A 34 -7.597 7.292 -5.053 1.00 0.00 C ATOM 255 NZ LYS A 34 -8.197 8.653 -5.137 1.00 0.00 N ATOM 0 H LYS A 34 -9.331 1.804 -5.823 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.449 2.591 -3.761 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.641 3.743 -5.257 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.741 4.107 -3.545 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.277 4.805 -3.679 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.430 4.691 -5.421 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.476 6.264 -5.179 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.924 6.548 -3.540 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.729 7.317 -4.394 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.240 6.991 -6.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.486 9.324 -5.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.010 8.635 -5.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.515 8.951 -4.193 1.00 0.00 H new ATOM 269 N GLY A 35 -8.619 1.465 -1.786 1.00 0.00 N ATOM 270 CA GLY A 35 -9.269 0.741 -0.719 1.00 0.00 C ATOM 271 C GLY A 35 -8.874 1.162 0.674 1.00 0.00 C ATOM 272 O GLY A 35 -8.017 2.033 0.872 1.00 0.00 O ATOM 0 H GLY A 35 -7.646 1.715 -1.610 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.347 0.859 -0.825 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.051 -0.321 -0.836 1.00 0.00 H new ATOM 276 N GLU A 36 -9.516 0.522 1.640 1.00 0.00 N ATOM 277 CA GLU A 36 -9.260 0.803 3.051 1.00 0.00 C ATOM 278 C GLU A 36 -8.474 -0.332 3.699 1.00 0.00 C ATOM 279 O GLU A 36 -8.601 -1.497 3.294 1.00 0.00 O ATOM 280 CB GLU A 36 -10.577 1.017 3.797 1.00 0.00 C ATOM 281 CG GLU A 36 -11.529 1.971 3.092 1.00 0.00 C ATOM 282 CD GLU A 36 -12.930 1.408 2.961 1.00 0.00 C ATOM 283 OE1 GLU A 36 -13.389 0.732 3.906 1.00 0.00 O ATOM 284 OE2 GLU A 36 -13.571 1.645 1.915 1.00 0.00 O ATOM 0 H GLU A 36 -10.220 -0.197 1.475 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.664 1.714 3.111 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -11.071 0.054 3.927 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.362 1.402 4.794 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.569 2.911 3.643 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.139 2.200 2.100 1.00 0.00 H new ATOM 291 N VAL A 37 -7.653 0.012 4.706 1.00 0.00 N ATOM 292 CA VAL A 37 -6.850 -1.002 5.393 1.00 0.00 C ATOM 293 C VAL A 37 -7.169 -1.125 6.865 1.00 0.00 C ATOM 294 O VAL A 37 -7.444 -0.153 7.569 1.00 0.00 O ATOM 295 CB VAL A 37 -5.327 -0.800 5.222 1.00 0.00 C ATOM 296 CG1 VAL A 37 -4.975 0.661 4.984 1.00 0.00 C ATOM 297 CG2 VAL A 37 -4.551 -1.342 6.418 1.00 0.00 C ATOM 0 H VAL A 37 -7.532 0.963 5.053 1.00 0.00 H new ATOM 0 HA VAL A 37 -7.133 -1.931 4.899 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.034 -1.367 4.339 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.896 0.761 4.869 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.471 1.012 4.079 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.306 1.258 5.834 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.484 -1.182 6.262 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.867 -0.823 7.323 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.746 -2.409 6.525 1.00 0.00 H new ATOM 307 N VAL A 38 -7.076 -2.364 7.296 1.00 0.00 N ATOM 308 CA VAL A 38 -7.298 -2.753 8.671 1.00 0.00 C ATOM 309 C VAL A 38 -6.142 -3.622 9.155 1.00 0.00 C ATOM 310 O VAL A 38 -5.646 -4.487 8.430 1.00 0.00 O ATOM 311 CB VAL A 38 -8.620 -3.528 8.834 1.00 0.00 C ATOM 312 CG1 VAL A 38 -8.918 -3.775 10.305 1.00 0.00 C ATOM 313 CG2 VAL A 38 -9.764 -2.779 8.167 1.00 0.00 C ATOM 0 H VAL A 38 -6.839 -3.146 6.686 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.359 -1.843 9.268 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.515 -4.495 8.343 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.855 -4.323 10.399 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.110 -4.358 10.747 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -9.002 -2.820 10.824 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.689 -3.341 8.292 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.872 -1.796 8.626 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.552 -2.662 7.104 1.00 0.00 H new ATOM 323 N ASP A 39 -5.709 -3.370 10.378 1.00 0.00 N ATOM 324 CA ASP A 39 -4.605 -4.112 10.979 1.00 0.00 C ATOM 325 C ASP A 39 -3.278 -3.741 10.326 1.00 0.00 C ATOM 326 O ASP A 39 -2.712 -4.518 9.557 1.00 0.00 O ATOM 327 CB ASP A 39 -4.844 -5.620 10.864 1.00 0.00 C ATOM 328 CG ASP A 39 -6.229 -6.022 11.334 1.00 0.00 C ATOM 329 OD1 ASP A 39 -6.496 -5.916 12.551 1.00 0.00 O ATOM 330 OD2 ASP A 39 -7.046 -6.442 10.488 1.00 0.00 O ATOM 0 H ASP A 39 -6.107 -2.651 10.982 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.556 -3.843 12.034 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.711 -5.928 9.827 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.095 -6.150 11.453 1.00 0.00 H new ATOM 335 N GLU A 40 -2.784 -2.548 10.645 1.00 0.00 N ATOM 336 CA GLU A 40 -1.520 -2.073 10.096 1.00 0.00 C ATOM 337 C GLU A 40 -0.350 -2.562 10.942 1.00 0.00 C ATOM 338 O GLU A 40 0.663 -3.022 10.417 1.00 0.00 O ATOM 339 CB GLU A 40 -1.512 -0.545 10.023 1.00 0.00 C ATOM 340 CG GLU A 40 -0.727 0.005 8.843 1.00 0.00 C ATOM 341 CD GLU A 40 0.652 0.495 9.239 1.00 0.00 C ATOM 342 OE1 GLU A 40 0.772 1.675 9.632 1.00 0.00 O ATOM 343 OE2 GLU A 40 1.610 -0.301 9.158 1.00 0.00 O ATOM 0 H GLU A 40 -3.240 -1.894 11.281 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.412 -2.474 9.088 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.540 -0.187 9.963 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.090 -0.148 10.946 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.629 -0.770 8.083 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.284 0.825 8.391 1.00 0.00 H new ATOM 350 N THR A 41 -0.501 -2.458 12.260 1.00 0.00 N ATOM 351 CA THR A 41 0.541 -2.890 13.185 1.00 0.00 C ATOM 352 C THR A 41 0.003 -3.902 14.199 1.00 0.00 C ATOM 353 O THR A 41 0.749 -4.400 15.041 1.00 0.00 O ATOM 354 CB THR A 41 1.129 -1.683 13.918 1.00 0.00 C ATOM 355 OG1 THR A 41 0.178 -0.637 14.007 1.00 0.00 O ATOM 356 CG2 THR A 41 2.365 -1.122 13.250 1.00 0.00 C ATOM 0 H THR A 41 -1.334 -2.079 12.710 1.00 0.00 H new ATOM 0 HA THR A 41 1.323 -3.377 12.602 1.00 0.00 H new ATOM 0 HB THR A 41 1.404 -2.052 14.906 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.573 0.125 14.481 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.731 -0.268 13.820 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.137 -1.890 13.210 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.118 -0.803 12.237 1.00 0.00 H new ATOM 364 N GLN A 42 -1.291 -4.207 14.113 1.00 0.00 N ATOM 365 CA GLN A 42 -1.911 -5.161 15.026 1.00 0.00 C ATOM 366 C GLN A 42 -1.323 -6.555 14.832 1.00 0.00 C ATOM 367 O GLN A 42 -0.616 -7.066 15.699 1.00 0.00 O ATOM 368 CB GLN A 42 -3.426 -5.196 14.815 1.00 0.00 C ATOM 369 CG GLN A 42 -4.199 -5.686 16.029 1.00 0.00 C ATOM 370 CD GLN A 42 -5.671 -5.336 15.963 1.00 0.00 C ATOM 371 OE1 GLN A 42 -6.040 -4.162 15.897 1.00 0.00 O ATOM 372 NE2 GLN A 42 -6.523 -6.354 15.980 1.00 0.00 N ATOM 0 H GLN A 42 -1.927 -3.808 13.422 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.705 -4.837 16.046 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.771 -4.195 14.555 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.651 -5.842 13.966 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.090 -6.767 16.112 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.766 -5.252 16.930 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.174 -7.311 16.035 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.527 -6.179 15.938 1.00 0.00 H new ATOM 381 N ASN A 43 -1.615 -7.164 13.687 1.00 0.00 N ATOM 382 CA ASN A 43 -1.106 -8.498 13.382 1.00 0.00 C ATOM 383 C ASN A 43 -0.913 -8.668 11.875 1.00 0.00 C ATOM 384 O ASN A 43 0.143 -8.331 11.338 1.00 0.00 O ATOM 385 CB ASN A 43 -2.055 -9.569 13.929 1.00 0.00 C ATOM 386 CG ASN A 43 -1.696 -9.991 15.342 1.00 0.00 C ATOM 387 OD1 ASN A 43 -2.049 -9.318 16.311 1.00 0.00 O ATOM 388 ND2 ASN A 43 -0.991 -11.109 15.465 1.00 0.00 N ATOM 0 H ASN A 43 -2.199 -6.757 12.957 1.00 0.00 H new ATOM 0 HA ASN A 43 -0.136 -8.617 13.865 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.076 -9.188 13.915 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.031 -10.441 13.275 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -0.720 -11.442 16.390 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.720 -11.635 14.634 1.00 0.00 H new ATOM 395 N THR A 44 -1.939 -9.172 11.194 1.00 0.00 N ATOM 396 CA THR A 44 -1.877 -9.357 9.751 1.00 0.00 C ATOM 397 C THR A 44 -2.436 -8.123 9.058 1.00 0.00 C ATOM 398 O THR A 44 -2.933 -7.215 9.723 1.00 0.00 O ATOM 399 CB THR A 44 -2.666 -10.600 9.334 1.00 0.00 C ATOM 400 OG1 THR A 44 -2.632 -10.768 7.928 1.00 0.00 O ATOM 401 CG2 THR A 44 -4.119 -10.555 9.758 1.00 0.00 C ATOM 0 H THR A 44 -2.821 -9.458 11.619 1.00 0.00 H new ATOM 0 HA THR A 44 -0.837 -9.498 9.456 1.00 0.00 H new ATOM 0 HB THR A 44 -2.182 -11.434 9.842 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.141 -11.569 7.682 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.622 -11.466 9.432 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.179 -10.476 10.844 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.604 -9.691 9.304 1.00 0.00 H new ATOM 409 N LEU A 45 -2.363 -8.078 7.734 1.00 0.00 N ATOM 410 CA LEU A 45 -2.881 -6.926 7.008 1.00 0.00 C ATOM 411 C LEU A 45 -4.008 -7.336 6.074 1.00 0.00 C ATOM 412 O LEU A 45 -3.830 -8.198 5.215 1.00 0.00 O ATOM 413 CB LEU A 45 -1.758 -6.250 6.215 1.00 0.00 C ATOM 414 CG LEU A 45 -1.305 -4.896 6.762 1.00 0.00 C ATOM 415 CD1 LEU A 45 -0.061 -4.412 6.031 1.00 0.00 C ATOM 416 CD2 LEU A 45 -2.425 -3.874 6.657 1.00 0.00 C ATOM 0 H LEU A 45 -1.959 -8.810 7.150 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.279 -6.217 7.734 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.899 -6.920 6.188 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.090 -6.116 5.186 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.054 -5.018 7.816 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.246 -3.447 6.435 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.744 -5.134 6.166 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.281 -4.308 4.969 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.083 -2.917 7.051 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.711 -3.754 5.612 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.285 -4.217 7.232 1.00 0.00 H new ATOM 427 N LYS A 46 -5.165 -6.705 6.230 1.00 0.00 N ATOM 428 CA LYS A 46 -6.310 -7.004 5.378 1.00 0.00 C ATOM 429 C LYS A 46 -6.743 -5.740 4.660 1.00 0.00 C ATOM 430 O LYS A 46 -7.018 -4.729 5.302 1.00 0.00 O ATOM 431 CB LYS A 46 -7.471 -7.553 6.211 1.00 0.00 C ATOM 432 CG LYS A 46 -7.042 -8.533 7.294 1.00 0.00 C ATOM 433 CD LYS A 46 -8.057 -8.592 8.426 1.00 0.00 C ATOM 434 CE LYS A 46 -9.436 -8.994 7.925 1.00 0.00 C ATOM 435 NZ LYS A 46 -10.365 -7.831 7.863 1.00 0.00 N ATOM 0 H LYS A 46 -5.335 -5.987 6.934 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.022 -7.761 4.649 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.998 -6.720 6.676 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.180 -8.047 5.547 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.921 -9.526 6.861 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.071 -8.237 7.690 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -7.721 -9.305 9.179 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.116 -7.619 8.913 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.347 -9.440 6.935 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.853 -9.757 8.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.332 -8.168 7.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -10.341 -7.319 8.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.072 -7.193 7.096 1.00 0.00 H new ATOM 449 N ILE A 47 -6.801 -5.776 3.337 1.00 0.00 N ATOM 450 CA ILE A 47 -7.194 -4.583 2.590 1.00 0.00 C ATOM 451 C ILE A 47 -8.269 -4.894 1.565 1.00 0.00 C ATOM 452 O ILE A 47 -8.261 -5.959 0.953 1.00 0.00 O ATOM 453 CB ILE A 47 -5.991 -3.929 1.878 1.00 0.00 C ATOM 454 CG1 ILE A 47 -4.668 -4.414 2.479 1.00 0.00 C ATOM 455 CG2 ILE A 47 -6.092 -2.418 1.980 1.00 0.00 C ATOM 456 CD1 ILE A 47 -4.231 -5.770 1.966 1.00 0.00 C ATOM 0 H ILE A 47 -6.588 -6.595 2.767 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.593 -3.882 3.324 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.011 -4.220 0.828 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.889 -3.683 2.260 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.766 -4.459 3.564 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -5.240 -1.962 1.476 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.016 -2.082 1.508 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.093 -2.123 3.029 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.287 -6.049 2.434 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.991 -6.513 2.209 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.100 -5.725 0.885 1.00 0.00 H new ATOM 468 N MET A 48 -9.196 -3.962 1.373 1.00 0.00 N ATOM 469 CA MET A 48 -10.271 -4.169 0.401 1.00 0.00 C ATOM 470 C MET A 48 -10.289 -3.033 -0.617 1.00 0.00 C ATOM 471 O MET A 48 -10.335 -1.854 -0.226 1.00 0.00 O ATOM 472 CB MET A 48 -11.624 -4.255 1.117 1.00 0.00 C ATOM 473 CG MET A 48 -12.820 -4.331 0.176 1.00 0.00 C ATOM 474 SD MET A 48 -14.219 -3.348 0.750 1.00 0.00 S ATOM 475 CE MET A 48 -14.772 -4.327 2.145 1.00 0.00 C ATOM 0 H MET A 48 -9.229 -3.070 1.866 1.00 0.00 H new ATOM 0 HA MET A 48 -10.090 -5.107 -0.123 1.00 0.00 H new ATOM 0 HB2 MET A 48 -11.626 -5.133 1.763 1.00 0.00 H new ATOM 0 HB3 MET A 48 -11.738 -3.384 1.763 1.00 0.00 H new ATOM 0 HG2 MET A 48 -12.521 -3.987 -0.814 1.00 0.00 H new ATOM 0 HG3 MET A 48 -13.130 -5.371 0.072 1.00 0.00 H new ATOM 0 HE1 MET A 48 -15.635 -3.847 2.607 1.00 0.00 H new ATOM 0 HE2 MET A 48 -15.051 -5.323 1.802 1.00 0.00 H new ATOM 0 HE3 MET A 48 -13.967 -4.407 2.875 1.00 0.00 H new ATOM 485 N THR A 49 -10.246 -3.377 -1.927 1.00 0.00 N ATOM 486 CA THR A 49 -10.252 -2.358 -2.955 1.00 0.00 C ATOM 487 C THR A 49 -11.631 -2.246 -3.616 1.00 0.00 C ATOM 488 O THR A 49 -12.471 -1.463 -3.172 1.00 0.00 O ATOM 489 CB THR A 49 -9.154 -2.658 -3.976 1.00 0.00 C ATOM 490 OG1 THR A 49 -9.562 -3.654 -4.898 1.00 0.00 O ATOM 491 CG2 THR A 49 -7.857 -3.126 -3.345 1.00 0.00 C ATOM 0 H THR A 49 -10.208 -4.336 -2.272 1.00 0.00 H new ATOM 0 HA THR A 49 -10.045 -1.389 -2.500 1.00 0.00 H new ATOM 0 HB THR A 49 -8.978 -1.708 -4.481 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.859 -3.788 -5.567 1.00 0.00 H new ATOM 0 HG21 THR A 49 -7.122 -3.321 -4.126 1.00 0.00 H new ATOM 0 HG22 THR A 49 -7.479 -2.354 -2.675 1.00 0.00 H new ATOM 0 HG23 THR A 49 -8.037 -4.040 -2.780 1.00 0.00 H new ATOM 499 N GLU A 50 -11.871 -3.028 -4.667 1.00 0.00 N ATOM 500 CA GLU A 50 -13.157 -3.000 -5.361 1.00 0.00 C ATOM 501 C GLU A 50 -13.580 -4.400 -5.778 1.00 0.00 C ATOM 502 O GLU A 50 -14.685 -4.839 -5.459 1.00 0.00 O ATOM 503 CB GLU A 50 -13.094 -2.094 -6.589 1.00 0.00 C ATOM 504 CG GLU A 50 -14.040 -0.906 -6.519 1.00 0.00 C ATOM 505 CD GLU A 50 -14.350 -0.328 -7.886 1.00 0.00 C ATOM 506 OE1 GLU A 50 -13.477 -0.405 -8.776 1.00 0.00 O ATOM 507 OE2 GLU A 50 -15.466 0.202 -8.066 1.00 0.00 O ATOM 0 H GLU A 50 -11.195 -3.686 -5.055 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.897 -2.601 -4.667 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -12.074 -1.729 -6.709 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -13.328 -2.682 -7.476 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -14.969 -1.214 -6.039 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -13.599 -0.131 -5.892 1.00 0.00 H new ATOM 514 N LYS A 51 -12.699 -5.108 -6.483 1.00 0.00 N ATOM 515 CA LYS A 51 -13.015 -6.461 -6.914 1.00 0.00 C ATOM 516 C LYS A 51 -13.252 -7.361 -5.701 1.00 0.00 C ATOM 517 O LYS A 51 -13.795 -8.457 -5.827 1.00 0.00 O ATOM 518 CB LYS A 51 -11.894 -7.023 -7.791 1.00 0.00 C ATOM 519 CG LYS A 51 -12.330 -8.190 -8.661 1.00 0.00 C ATOM 520 CD LYS A 51 -13.481 -7.804 -9.575 1.00 0.00 C ATOM 521 CE LYS A 51 -13.663 -8.814 -10.698 1.00 0.00 C ATOM 522 NZ LYS A 51 -12.663 -8.623 -11.784 1.00 0.00 N ATOM 0 H LYS A 51 -11.777 -4.772 -6.762 1.00 0.00 H new ATOM 0 HA LYS A 51 -13.929 -6.431 -7.508 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.510 -6.228 -8.430 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -11.071 -7.344 -7.153 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.487 -8.533 -9.261 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -12.631 -9.025 -8.028 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -14.401 -7.734 -8.994 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -13.296 -6.817 -9.998 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.574 -9.823 -10.296 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -14.668 -8.722 -11.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.842 -9.308 -12.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.741 -7.657 -12.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.706 -8.770 -11.404 1.00 0.00 H new ATOM 536 N GLY A 52 -12.844 -6.882 -4.524 1.00 0.00 N ATOM 537 CA GLY A 52 -13.027 -7.644 -3.308 1.00 0.00 C ATOM 538 C GLY A 52 -12.017 -7.286 -2.233 1.00 0.00 C ATOM 539 O GLY A 52 -11.309 -6.276 -2.331 1.00 0.00 O ATOM 0 H GLY A 52 -12.390 -5.978 -4.397 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -14.034 -7.474 -2.926 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -12.948 -8.707 -3.535 1.00 0.00 H new ATOM 543 N LEU A 53 -11.953 -8.125 -1.205 1.00 0.00 N ATOM 544 CA LEU A 53 -11.029 -7.920 -0.100 1.00 0.00 C ATOM 545 C LEU A 53 -10.147 -9.150 0.087 1.00 0.00 C ATOM 546 O LEU A 53 -10.631 -10.281 0.076 1.00 0.00 O ATOM 547 CB LEU A 53 -11.791 -7.611 1.194 1.00 0.00 C ATOM 548 CG LEU A 53 -12.310 -8.830 1.959 1.00 0.00 C ATOM 549 CD1 LEU A 53 -12.844 -8.415 3.323 1.00 0.00 C ATOM 550 CD2 LEU A 53 -13.389 -9.544 1.157 1.00 0.00 C ATOM 0 H LEU A 53 -12.535 -8.958 -1.116 1.00 0.00 H new ATOM 0 HA LEU A 53 -10.395 -7.066 -0.337 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.136 -7.041 1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -12.637 -6.968 0.952 1.00 0.00 H new ATOM 0 HG LEU A 53 -11.481 -9.521 2.110 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -13.209 -9.294 3.854 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -12.045 -7.949 3.900 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -13.660 -7.704 3.193 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -13.746 -10.408 1.717 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -14.219 -8.861 0.975 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -12.975 -9.874 0.204 1.00 0.00 H new ATOM 562 N LYS A 54 -8.856 -8.919 0.260 1.00 0.00 N ATOM 563 CA LYS A 54 -7.907 -10.000 0.451 1.00 0.00 C ATOM 564 C LYS A 54 -7.083 -9.792 1.719 1.00 0.00 C ATOM 565 O LYS A 54 -6.782 -8.658 2.105 1.00 0.00 O ATOM 566 CB LYS A 54 -6.982 -10.117 -0.762 1.00 0.00 C ATOM 567 CG LYS A 54 -6.634 -11.550 -1.127 1.00 0.00 C ATOM 568 CD LYS A 54 -7.512 -12.069 -2.254 1.00 0.00 C ATOM 569 CE LYS A 54 -7.965 -13.497 -1.997 1.00 0.00 C ATOM 570 NZ LYS A 54 -6.842 -14.360 -1.536 1.00 0.00 N ATOM 0 H LYS A 54 -8.441 -7.987 0.272 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.471 -10.926 0.559 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.457 -9.638 -1.618 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.062 -9.569 -0.561 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.587 -11.606 -1.425 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.751 -12.188 -0.251 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.384 -11.424 -2.363 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.963 -12.024 -3.194 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.756 -13.498 -1.247 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.392 -13.913 -2.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.040 -15.350 -1.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.960 -14.057 -1.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.741 -14.276 -0.504 1.00 0.00 H new ATOM 584 N VAL A 55 -6.719 -10.902 2.357 1.00 0.00 N ATOM 585 CA VAL A 55 -5.925 -10.859 3.575 1.00 0.00 C ATOM 586 C VAL A 55 -4.600 -11.584 3.387 1.00 0.00 C ATOM 587 O VAL A 55 -4.563 -12.749 2.990 1.00 0.00 O ATOM 588 CB VAL A 55 -6.669 -11.483 4.768 1.00 0.00 C ATOM 589 CG1 VAL A 55 -7.997 -10.780 4.996 1.00 0.00 C ATOM 590 CG2 VAL A 55 -6.879 -12.976 4.556 1.00 0.00 C ATOM 0 H VAL A 55 -6.964 -11.843 2.047 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.741 -9.806 3.789 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.054 -11.352 5.658 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.509 -11.235 5.844 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.819 -9.725 5.203 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.617 -10.875 4.104 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.407 -13.394 5.413 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.468 -13.136 3.653 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.912 -13.468 4.450 1.00 0.00 H new ATOM 600 N VAL A 56 -3.518 -10.884 3.680 1.00 0.00 N ATOM 601 CA VAL A 56 -2.183 -11.442 3.546 1.00 0.00 C ATOM 602 C VAL A 56 -1.248 -10.941 4.645 1.00 0.00 C ATOM 603 O VAL A 56 -1.614 -10.094 5.466 1.00 0.00 O ATOM 604 CB VAL A 56 -1.569 -11.098 2.176 1.00 0.00 C ATOM 605 CG1 VAL A 56 -2.154 -11.984 1.088 1.00 0.00 C ATOM 606 CG2 VAL A 56 -1.779 -9.628 1.848 1.00 0.00 C ATOM 0 H VAL A 56 -3.538 -9.921 4.015 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.289 -12.523 3.636 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.496 -11.285 2.225 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.707 -11.725 0.128 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.942 -13.029 1.317 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.233 -11.835 1.038 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.338 -9.405 0.876 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.847 -9.410 1.820 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.303 -9.013 2.612 1.00 0.00 H new ATOM 616 N ALA A 57 -0.035 -11.479 4.639 1.00 0.00 N ATOM 617 CA ALA A 57 0.987 -11.109 5.607 1.00 0.00 C ATOM 618 C ALA A 57 2.032 -10.218 4.946 1.00 0.00 C ATOM 619 O ALA A 57 1.969 -9.970 3.742 1.00 0.00 O ATOM 620 CB ALA A 57 1.636 -12.353 6.196 1.00 0.00 C ATOM 0 H ALA A 57 0.267 -12.182 3.964 1.00 0.00 H new ATOM 0 HA ALA A 57 0.519 -10.553 6.419 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.398 -12.059 6.918 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.878 -12.958 6.694 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.098 -12.935 5.398 1.00 0.00 H new ATOM 626 N LYS A 58 2.987 -9.734 5.739 1.00 0.00 N ATOM 627 CA LYS A 58 4.051 -8.862 5.232 1.00 0.00 C ATOM 628 C LYS A 58 4.499 -9.265 3.824 1.00 0.00 C ATOM 629 O LYS A 58 4.865 -8.414 3.015 1.00 0.00 O ATOM 630 CB LYS A 58 5.249 -8.888 6.183 1.00 0.00 C ATOM 631 CG LYS A 58 4.910 -8.461 7.602 1.00 0.00 C ATOM 632 CD LYS A 58 6.156 -8.358 8.467 1.00 0.00 C ATOM 633 CE LYS A 58 5.921 -8.931 9.854 1.00 0.00 C ATOM 634 NZ LYS A 58 7.049 -8.629 10.779 1.00 0.00 N ATOM 0 H LYS A 58 3.047 -9.930 6.738 1.00 0.00 H new ATOM 0 HA LYS A 58 3.647 -7.851 5.176 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.663 -9.896 6.205 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.027 -8.233 5.792 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.400 -7.498 7.581 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.218 -9.178 8.043 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.978 -8.889 7.987 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.457 -7.314 8.550 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.997 -8.523 10.263 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.789 -10.011 9.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.850 -9.037 11.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.927 -9.040 10.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.159 -7.599 10.867 1.00 0.00 H new ATOM 648 N ARG A 59 4.463 -10.565 3.540 1.00 0.00 N ATOM 649 CA ARG A 59 4.860 -11.072 2.229 1.00 0.00 C ATOM 650 C ARG A 59 3.651 -11.604 1.458 1.00 0.00 C ATOM 651 O ARG A 59 3.091 -12.643 1.803 1.00 0.00 O ATOM 652 CB ARG A 59 5.907 -12.177 2.383 1.00 0.00 C ATOM 653 CG ARG A 59 7.113 -11.763 3.212 1.00 0.00 C ATOM 654 CD ARG A 59 7.877 -10.626 2.555 1.00 0.00 C ATOM 655 NE ARG A 59 9.228 -10.490 3.095 1.00 0.00 N ATOM 656 CZ ARG A 59 10.152 -9.676 2.587 1.00 0.00 C ATOM 657 NH1 ARG A 59 9.873 -8.924 1.530 1.00 0.00 N ATOM 658 NH2 ARG A 59 11.355 -9.613 3.140 1.00 0.00 N ATOM 0 H ARG A 59 4.164 -11.285 4.198 1.00 0.00 H new ATOM 0 HA ARG A 59 5.292 -10.246 1.664 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.440 -13.046 2.846 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.245 -12.486 1.394 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.785 -11.456 4.205 1.00 0.00 H new ATOM 0 HG3 ARG A 59 7.775 -12.618 3.345 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.932 -10.800 1.480 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.333 -9.693 2.700 1.00 0.00 H new ATOM 0 HE ARG A 59 9.478 -11.051 3.909 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.948 -8.968 1.103 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.584 -8.302 1.145 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.573 -10.188 3.954 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.063 -8.990 2.751 1.00 0.00 H new ATOM 672 N GLY A 60 3.259 -10.879 0.412 1.00 0.00 N ATOM 673 CA GLY A 60 2.121 -11.291 -0.395 1.00 0.00 C ATOM 674 C GLY A 60 1.510 -10.131 -1.161 1.00 0.00 C ATOM 675 O GLY A 60 1.165 -9.107 -0.572 1.00 0.00 O ATOM 0 H GLY A 60 3.708 -10.015 0.109 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.437 -12.062 -1.098 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.364 -11.738 0.249 1.00 0.00 H new ATOM 679 N ARG A 61 1.383 -10.284 -2.479 1.00 0.00 N ATOM 680 CA ARG A 61 0.817 -9.228 -3.317 1.00 0.00 C ATOM 681 C ARG A 61 1.577 -7.924 -3.095 1.00 0.00 C ATOM 682 O ARG A 61 2.566 -7.901 -2.353 1.00 0.00 O ATOM 683 CB ARG A 61 -0.667 -9.035 -3.001 1.00 0.00 C ATOM 684 CG ARG A 61 -1.536 -10.204 -3.436 1.00 0.00 C ATOM 685 CD ARG A 61 -1.154 -11.487 -2.715 1.00 0.00 C ATOM 686 NE ARG A 61 -0.270 -12.326 -3.522 1.00 0.00 N ATOM 687 CZ ARG A 61 0.472 -13.313 -3.026 1.00 0.00 C ATOM 688 NH1 ARG A 61 0.444 -13.587 -1.727 1.00 0.00 N ATOM 689 NH2 ARG A 61 1.247 -14.029 -3.830 1.00 0.00 N ATOM 0 H ARG A 61 1.662 -11.123 -2.987 1.00 0.00 H new ATOM 0 HA ARG A 61 0.913 -9.520 -4.363 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.785 -8.884 -1.928 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.020 -8.128 -3.491 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.583 -9.973 -3.238 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.440 -10.349 -4.512 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.661 -11.241 -1.774 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.056 -12.045 -2.466 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.219 -12.144 -4.524 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.149 -13.040 -1.103 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.015 -14.345 -1.353 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.274 -13.823 -4.829 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.816 -14.785 -3.450 1.00 0.00 H new ATOM 703 N THR A 62 1.123 -6.838 -3.711 1.00 0.00 N ATOM 704 CA THR A 62 1.794 -5.555 -3.529 1.00 0.00 C ATOM 705 C THR A 62 0.814 -4.507 -3.028 1.00 0.00 C ATOM 706 O THR A 62 -0.194 -4.229 -3.675 1.00 0.00 O ATOM 707 CB THR A 62 2.417 -5.096 -4.848 1.00 0.00 C ATOM 708 OG1 THR A 62 3.326 -6.065 -5.339 1.00 0.00 O ATOM 709 CG2 THR A 62 3.160 -3.782 -4.734 1.00 0.00 C ATOM 0 H THR A 62 0.311 -6.818 -4.328 1.00 0.00 H new ATOM 0 HA THR A 62 2.582 -5.680 -2.786 1.00 0.00 H new ATOM 0 HB THR A 62 1.579 -4.962 -5.531 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.467 -5.925 -6.299 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.577 -3.514 -5.705 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.472 -3.002 -4.407 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.967 -3.882 -4.008 1.00 0.00 H new ATOM 717 N PHE A 63 1.109 -3.902 -1.887 1.00 0.00 N ATOM 718 CA PHE A 63 0.229 -2.878 -1.340 1.00 0.00 C ATOM 719 C PHE A 63 1.027 -1.654 -0.855 1.00 0.00 C ATOM 720 O PHE A 63 2.159 -1.783 -0.391 1.00 0.00 O ATOM 721 CB PHE A 63 -0.586 -3.455 -0.181 1.00 0.00 C ATOM 722 CG PHE A 63 0.242 -4.203 0.826 1.00 0.00 C ATOM 723 CD1 PHE A 63 0.818 -5.421 0.501 1.00 0.00 C ATOM 724 CD2 PHE A 63 0.444 -3.688 2.096 1.00 0.00 C ATOM 725 CE1 PHE A 63 1.578 -6.111 1.424 1.00 0.00 C ATOM 726 CE2 PHE A 63 1.203 -4.373 3.024 1.00 0.00 C ATOM 727 CZ PHE A 63 1.772 -5.587 2.688 1.00 0.00 C ATOM 0 H PHE A 63 1.939 -4.098 -1.328 1.00 0.00 H new ATOM 0 HA PHE A 63 -0.443 -2.553 -2.134 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -1.109 -2.643 0.323 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.347 -4.124 -0.582 1.00 0.00 H new ATOM 0 HD1 PHE A 63 0.671 -5.835 -0.486 1.00 0.00 H new ATOM 0 HD2 PHE A 63 0.003 -2.739 2.363 1.00 0.00 H new ATOM 0 HE1 PHE A 63 2.021 -7.060 1.159 1.00 0.00 H new ATOM 0 HE2 PHE A 63 1.352 -3.961 4.011 1.00 0.00 H new ATOM 0 HZ PHE A 63 2.367 -6.125 3.411 1.00 0.00 H new ATOM 737 N ARG A 64 0.417 -0.471 -0.927 1.00 0.00 N ATOM 738 CA ARG A 64 1.059 0.757 -0.446 1.00 0.00 C ATOM 739 C ARG A 64 0.133 1.412 0.575 1.00 0.00 C ATOM 740 O ARG A 64 -1.028 1.667 0.273 1.00 0.00 O ATOM 741 CB ARG A 64 1.355 1.716 -1.605 1.00 0.00 C ATOM 742 CG ARG A 64 0.110 2.251 -2.293 1.00 0.00 C ATOM 743 CD ARG A 64 0.407 2.678 -3.722 1.00 0.00 C ATOM 744 NE ARG A 64 1.005 1.599 -4.506 1.00 0.00 N ATOM 745 CZ ARG A 64 1.545 1.771 -5.710 1.00 0.00 C ATOM 746 NH1 ARG A 64 1.556 2.971 -6.276 1.00 0.00 N ATOM 747 NH2 ARG A 64 2.074 0.738 -6.354 1.00 0.00 N ATOM 0 H ARG A 64 -0.518 -0.335 -1.312 1.00 0.00 H new ATOM 0 HA ARG A 64 2.014 0.513 0.019 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.940 2.555 -1.229 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.973 1.201 -2.341 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -0.665 1.484 -2.294 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -0.282 3.099 -1.732 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -0.516 3.005 -4.201 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.081 3.534 -3.711 1.00 0.00 H new ATOM 0 HE ARG A 64 1.009 0.660 -4.107 1.00 0.00 H new ATOM 0 HH11 ARG A 64 1.149 3.769 -5.788 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.972 3.096 -7.199 1.00 0.00 H new ATOM 0 HH21 ARG A 64 2.067 -0.188 -5.926 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.488 0.870 -7.277 1.00 0.00 H new ATOM 761 N VAL A 65 0.624 1.655 1.789 1.00 0.00 N ATOM 762 CA VAL A 65 -0.222 2.223 2.840 1.00 0.00 C ATOM 763 C VAL A 65 0.165 3.635 3.278 1.00 0.00 C ATOM 764 O VAL A 65 1.342 3.975 3.415 1.00 0.00 O ATOM 765 CB VAL A 65 -0.232 1.318 4.085 1.00 0.00 C ATOM 766 CG1 VAL A 65 -0.886 -0.019 3.771 1.00 0.00 C ATOM 767 CG2 VAL A 65 1.181 1.117 4.611 1.00 0.00 C ATOM 0 H VAL A 65 1.588 1.471 2.068 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.211 2.285 2.387 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.818 1.809 4.862 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.883 -0.644 4.664 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.914 0.146 3.447 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.331 -0.518 2.977 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.154 0.475 5.491 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.793 0.650 3.840 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.610 2.082 4.880 1.00 0.00 H new ATOM 777 N TRP A 66 -0.876 4.426 3.534 1.00 0.00 N ATOM 778 CA TRP A 66 -0.762 5.799 4.001 1.00 0.00 C ATOM 779 C TRP A 66 -1.550 5.983 5.306 1.00 0.00 C ATOM 780 O TRP A 66 -2.756 5.704 5.376 1.00 0.00 O ATOM 781 CB TRP A 66 -1.303 6.783 2.963 1.00 0.00 C ATOM 782 CG TRP A 66 -0.868 6.514 1.558 1.00 0.00 C ATOM 783 CD1 TRP A 66 0.389 6.656 1.044 1.00 0.00 C ATOM 784 CD2 TRP A 66 -1.698 6.077 0.478 1.00 0.00 C ATOM 785 NE1 TRP A 66 0.390 6.337 -0.293 1.00 0.00 N ATOM 786 CE2 TRP A 66 -0.880 5.977 -0.663 1.00 0.00 C ATOM 787 CE3 TRP A 66 -3.055 5.758 0.362 1.00 0.00 C ATOM 788 CZ2 TRP A 66 -1.374 5.578 -1.899 1.00 0.00 C ATOM 789 CZ3 TRP A 66 -3.546 5.361 -0.862 1.00 0.00 C ATOM 790 CH2 TRP A 66 -2.705 5.275 -1.981 1.00 0.00 C ATOM 0 H TRP A 66 -1.842 4.119 3.419 1.00 0.00 H new ATOM 0 HA TRP A 66 0.296 6.001 4.169 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -2.392 6.767 3.001 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -0.989 7.790 3.239 1.00 0.00 H new ATOM 0 HD1 TRP A 66 1.255 6.973 1.606 1.00 0.00 H new ATOM 0 HE1 TRP A 66 1.203 6.364 -0.909 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -3.708 5.822 1.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -0.730 5.510 -2.763 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -4.592 5.113 -0.961 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -3.118 4.962 -2.929 1.00 0.00 H new ATOM 801 N TYR A 67 -0.850 6.467 6.327 1.00 0.00 N ATOM 802 CA TYR A 67 -1.445 6.711 7.634 1.00 0.00 C ATOM 803 C TYR A 67 -1.336 8.192 7.989 1.00 0.00 C ATOM 804 O TYR A 67 -0.735 8.970 7.249 1.00 0.00 O ATOM 805 CB TYR A 67 -0.748 5.863 8.704 1.00 0.00 C ATOM 806 CG TYR A 67 -1.689 5.114 9.630 1.00 0.00 C ATOM 807 CD1 TYR A 67 -3.009 5.520 9.806 1.00 0.00 C ATOM 808 CD2 TYR A 67 -1.250 3.999 10.332 1.00 0.00 C ATOM 809 CE1 TYR A 67 -3.858 4.835 10.655 1.00 0.00 C ATOM 810 CE2 TYR A 67 -2.094 3.311 11.184 1.00 0.00 C ATOM 811 CZ TYR A 67 -3.397 3.733 11.340 1.00 0.00 C ATOM 812 OH TYR A 67 -4.240 3.050 12.186 1.00 0.00 O ATOM 0 H TYR A 67 0.141 6.700 6.271 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.498 6.430 7.597 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.096 5.143 8.210 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.110 6.512 9.304 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.375 6.384 9.271 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.231 3.663 10.210 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -4.879 5.163 10.781 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.734 2.448 11.724 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.759 2.298 12.590 1.00 0.00 H new ATOM 822 N LYS A 68 -1.918 8.578 9.119 1.00 0.00 N ATOM 823 CA LYS A 68 -1.875 9.968 9.561 1.00 0.00 C ATOM 824 C LYS A 68 -0.507 10.332 10.145 1.00 0.00 C ATOM 825 O LYS A 68 -0.319 11.437 10.653 1.00 0.00 O ATOM 826 CB LYS A 68 -2.974 10.228 10.595 1.00 0.00 C ATOM 827 CG LYS A 68 -4.072 11.155 10.094 1.00 0.00 C ATOM 828 CD LYS A 68 -5.016 10.439 9.141 1.00 0.00 C ATOM 829 CE LYS A 68 -5.343 11.296 7.928 1.00 0.00 C ATOM 830 NZ LYS A 68 -6.764 11.149 7.510 1.00 0.00 N ATOM 0 H LYS A 68 -2.424 7.951 9.744 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.044 10.599 8.688 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.418 9.277 10.888 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.525 10.660 11.490 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.636 11.544 10.942 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.624 12.011 9.589 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.563 9.503 8.814 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.937 10.182 9.665 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.138 12.342 8.157 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.691 11.017 7.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.946 11.749 6.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.953 10.156 7.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.387 11.439 8.290 1.00 0.00 H new ATOM 844 N GLY A 69 0.443 9.403 10.069 1.00 0.00 N ATOM 845 CA GLY A 69 1.772 9.656 10.592 1.00 0.00 C ATOM 846 C GLY A 69 2.830 9.676 9.503 1.00 0.00 C ATOM 847 O GLY A 69 3.603 10.629 9.399 1.00 0.00 O ATOM 0 H GLY A 69 0.315 8.480 9.654 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.777 10.611 11.117 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.023 8.889 11.324 1.00 0.00 H new ATOM 851 N LYS A 70 2.862 8.624 8.690 1.00 0.00 N ATOM 852 CA LYS A 70 3.833 8.526 7.604 1.00 0.00 C ATOM 853 C LYS A 70 3.327 7.601 6.500 1.00 0.00 C ATOM 854 O LYS A 70 2.213 7.076 6.575 1.00 0.00 O ATOM 855 CB LYS A 70 5.176 8.019 8.133 1.00 0.00 C ATOM 856 CG LYS A 70 6.122 9.131 8.558 1.00 0.00 C ATOM 857 CD LYS A 70 5.988 9.441 10.041 1.00 0.00 C ATOM 858 CE LYS A 70 7.193 8.946 10.826 1.00 0.00 C ATOM 859 NZ LYS A 70 8.207 10.018 11.022 1.00 0.00 N ATOM 0 H LYS A 70 2.228 7.828 8.762 1.00 0.00 H new ATOM 0 HA LYS A 70 3.969 9.523 7.184 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.997 7.361 8.983 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.658 7.419 7.361 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.149 8.840 8.337 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.913 10.029 7.977 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.879 10.517 10.180 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.083 8.975 10.431 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.866 8.574 11.797 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.649 8.107 10.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.012 9.640 11.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.539 10.356 10.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.780 10.808 11.546 1.00 0.00 H new ATOM 873 N ILE A 71 4.149 7.409 5.472 1.00 0.00 N ATOM 874 CA ILE A 71 3.786 6.550 4.352 1.00 0.00 C ATOM 875 C ILE A 71 4.847 5.479 4.109 1.00 0.00 C ATOM 876 O ILE A 71 6.038 5.778 4.042 1.00 0.00 O ATOM 877 CB ILE A 71 3.592 7.370 3.061 1.00 0.00 C ATOM 878 CG1 ILE A 71 4.889 8.088 2.682 1.00 0.00 C ATOM 879 CG2 ILE A 71 2.459 8.371 3.237 1.00 0.00 C ATOM 880 CD1 ILE A 71 5.700 7.357 1.633 1.00 0.00 C ATOM 0 H ILE A 71 5.071 7.838 5.393 1.00 0.00 H new ATOM 0 HA ILE A 71 2.845 6.067 4.614 1.00 0.00 H new ATOM 0 HB ILE A 71 3.329 6.688 2.252 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.649 9.085 2.314 1.00 0.00 H new ATOM 0 HG13 ILE A 71 5.498 8.217 3.576 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.333 8.943 2.318 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.535 7.839 3.463 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.697 9.049 4.057 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.605 7.923 1.413 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.971 6.369 2.006 1.00 0.00 H new ATOM 0 HD13 ILE A 71 5.108 7.252 0.724 1.00 0.00 H new ATOM 892 N MET A 72 4.405 4.232 3.975 1.00 0.00 N ATOM 893 CA MET A 72 5.321 3.120 3.738 1.00 0.00 C ATOM 894 C MET A 72 4.802 2.211 2.626 1.00 0.00 C ATOM 895 O MET A 72 3.600 2.151 2.376 1.00 0.00 O ATOM 896 CB MET A 72 5.518 2.313 5.021 1.00 0.00 C ATOM 897 CG MET A 72 6.620 1.270 4.921 1.00 0.00 C ATOM 898 SD MET A 72 7.395 0.924 6.512 1.00 0.00 S ATOM 899 CE MET A 72 6.527 -0.568 6.990 1.00 0.00 C ATOM 0 H MET A 72 3.422 3.966 4.026 1.00 0.00 H new ATOM 0 HA MET A 72 6.280 3.534 3.425 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.749 2.996 5.838 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.582 1.817 5.276 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.206 0.347 4.515 1.00 0.00 H new ATOM 0 HG3 MET A 72 7.379 1.615 4.219 1.00 0.00 H new ATOM 0 HE1 MET A 72 6.308 -0.535 8.057 1.00 0.00 H new ATOM 0 HE2 MET A 72 5.595 -0.642 6.430 1.00 0.00 H new ATOM 0 HE3 MET A 72 7.150 -1.436 6.774 1.00 0.00 H new ATOM 909 N ARG A 73 5.712 1.505 1.962 1.00 0.00 N ATOM 910 CA ARG A 73 5.334 0.602 0.879 1.00 0.00 C ATOM 911 C ARG A 73 5.826 -0.814 1.161 1.00 0.00 C ATOM 912 O ARG A 73 6.996 -1.018 1.489 1.00 0.00 O ATOM 913 CB ARG A 73 5.903 1.098 -0.451 1.00 0.00 C ATOM 914 CG ARG A 73 4.960 2.015 -1.212 1.00 0.00 C ATOM 915 CD ARG A 73 5.551 2.442 -2.544 1.00 0.00 C ATOM 916 NE ARG A 73 4.571 3.123 -3.385 1.00 0.00 N ATOM 917 CZ ARG A 73 4.196 4.389 -3.211 1.00 0.00 C ATOM 918 NH1 ARG A 73 4.721 5.113 -2.231 1.00 0.00 N ATOM 919 NH2 ARG A 73 3.296 4.929 -4.020 1.00 0.00 N ATOM 0 H ARG A 73 6.713 1.540 2.154 1.00 0.00 H new ATOM 0 HA ARG A 73 4.246 0.585 0.814 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.837 1.627 -0.262 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.144 0.239 -1.077 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.012 1.504 -1.381 1.00 0.00 H new ATOM 0 HG3 ARG A 73 4.744 2.897 -0.609 1.00 0.00 H new ATOM 0 HD2 ARG A 73 6.400 3.103 -2.369 1.00 0.00 H new ATOM 0 HD3 ARG A 73 5.932 1.566 -3.069 1.00 0.00 H new ATOM 0 HE ARG A 73 4.149 2.598 -4.151 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.415 4.700 -1.607 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.431 6.082 -2.101 1.00 0.00 H new ATOM 0 HH21 ARG A 73 2.891 4.375 -4.775 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.008 5.899 -3.888 1.00 0.00 H new ATOM 933 N ILE A 74 4.933 -1.791 1.032 1.00 0.00 N ATOM 934 CA ILE A 74 5.293 -3.183 1.280 1.00 0.00 C ATOM 935 C ILE A 74 4.988 -4.065 0.072 1.00 0.00 C ATOM 936 O ILE A 74 3.856 -4.114 -0.409 1.00 0.00 O ATOM 937 CB ILE A 74 4.551 -3.743 2.507 1.00 0.00 C ATOM 938 CG1 ILE A 74 4.680 -2.781 3.690 1.00 0.00 C ATOM 939 CG2 ILE A 74 5.090 -5.117 2.873 1.00 0.00 C ATOM 940 CD1 ILE A 74 6.110 -2.548 4.127 1.00 0.00 C ATOM 0 H ILE A 74 3.961 -1.646 0.759 1.00 0.00 H new ATOM 0 HA ILE A 74 6.366 -3.197 1.470 1.00 0.00 H new ATOM 0 HB ILE A 74 3.495 -3.845 2.258 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.231 -1.825 3.421 1.00 0.00 H new ATOM 0 HG13 ILE A 74 4.111 -3.175 4.532 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.554 -5.498 3.742 1.00 0.00 H new ATOM 0 HG22 ILE A 74 4.950 -5.798 2.033 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.152 -5.041 3.106 1.00 0.00 H new ATOM 0 HD11 ILE A 74 6.125 -1.856 4.969 1.00 0.00 H new ATOM 0 HD12 ILE A 74 6.558 -3.495 4.427 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.679 -2.124 3.299 1.00 0.00 H new ATOM 952 N LYS A 75 6.009 -4.772 -0.403 1.00 0.00 N ATOM 953 CA LYS A 75 5.858 -5.665 -1.547 1.00 0.00 C ATOM 954 C LYS A 75 6.378 -7.061 -1.214 1.00 0.00 C ATOM 955 O LYS A 75 7.453 -7.214 -0.636 1.00 0.00 O ATOM 956 CB LYS A 75 6.602 -5.107 -2.762 1.00 0.00 C ATOM 957 CG LYS A 75 6.383 -5.913 -4.030 1.00 0.00 C ATOM 958 CD LYS A 75 7.066 -5.269 -5.226 1.00 0.00 C ATOM 959 CE LYS A 75 7.266 -6.264 -6.358 1.00 0.00 C ATOM 960 NZ LYS A 75 6.284 -6.056 -7.459 1.00 0.00 N ATOM 0 H LYS A 75 6.951 -4.744 -0.013 1.00 0.00 H new ATOM 0 HA LYS A 75 4.797 -5.736 -1.784 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.281 -4.080 -2.934 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.669 -5.075 -2.541 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.768 -6.923 -3.891 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.314 -6.003 -4.225 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.467 -4.430 -5.580 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.031 -4.865 -4.921 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.278 -6.168 -6.751 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.169 -7.278 -5.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.453 -6.754 -8.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.319 -6.172 -7.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.394 -5.097 -7.845 1.00 0.00 H new ATOM 974 N GLY A 76 5.607 -8.079 -1.580 1.00 0.00 N ATOM 975 CA GLY A 76 6.007 -9.447 -1.312 1.00 0.00 C ATOM 976 C GLY A 76 6.888 -10.018 -2.406 1.00 0.00 C ATOM 977 O GLY A 76 6.647 -9.785 -3.591 1.00 0.00 O ATOM 0 H GLY A 76 4.711 -7.981 -2.058 1.00 0.00 H new ATOM 0 HA2 GLY A 76 6.540 -9.487 -0.362 1.00 0.00 H new ATOM 0 HA3 GLY A 76 5.118 -10.068 -1.205 1.00 0.00 H new ATOM 981 N ASP A 77 7.913 -10.766 -2.009 1.00 0.00 N ATOM 982 CA ASP A 77 8.833 -11.371 -2.966 1.00 0.00 C ATOM 983 C ASP A 77 9.572 -10.300 -3.763 1.00 0.00 C ATOM 984 O ASP A 77 8.956 -9.513 -4.481 1.00 0.00 O ATOM 985 CB ASP A 77 8.079 -12.301 -3.918 1.00 0.00 C ATOM 986 CG ASP A 77 7.257 -13.341 -3.179 1.00 0.00 C ATOM 987 OD1 ASP A 77 7.858 -14.284 -2.620 1.00 0.00 O ATOM 988 OD2 ASP A 77 6.016 -13.214 -3.160 1.00 0.00 O ATOM 0 H ASP A 77 8.127 -10.967 -1.032 1.00 0.00 H new ATOM 0 HA ASP A 77 9.565 -11.953 -2.406 1.00 0.00 H new ATOM 0 HB2 ASP A 77 7.423 -11.709 -4.556 1.00 0.00 H new ATOM 0 HB3 ASP A 77 8.792 -12.803 -4.572 1.00 0.00 H new TER 993 ASP A 77