USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 937 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 87 THR OG1 : rot 180:sc= 0.775 USER MOD Set 1.2: A 97 THR OG1 : rot -82:sc= 0.876 USER MOD Set 2.1: A 46 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.46) USER MOD Set 2.2: A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ -158:sc= 1.14 (180deg=0.976) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 91:sc= 0.34 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -124:sc= 0.736 (180deg=-0.00031) USER MOD Single : A 17 TYR OH : rot 130:sc= -0.267 USER MOD Single : A 22 CYS SG : rot 136:sc= 0.0493 USER MOD Single : A 25 LYS NZ :NH3+ 151:sc= 0.513 (180deg=-0.304) USER MOD Single : A 27 LYS NZ :NH3+ -120:sc= 0.0517 (180deg=0.0188) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -168:sc= 1.17 (180deg=1.03) USER MOD Single : A 41 GLN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 43 ASN : amide:sc= -0.0578 X(o=-0.058,f=-0.03) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.449 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= -0.0209 K(o=-0.021,f=-2.8!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot -129:sc= -1.56! USER MOD Single : A 67 THR OG1 : rot -68:sc= 0.539 USER MOD Single : A 71 SER OG : rot -118:sc= 1.29 USER MOD Single : A 73 GLN : amide:sc= -0.044 K(o=-0.044,f=-2.6!) USER MOD Single : A 78 SER OG : rot -170:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0821) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 30:sc= 0.969 USER MOD Single : A 86 TYR OH : rot -140:sc= -2.44! USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.0255 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 CYS SG : rot -101:sc= 0.521 USER MOD Single : A 106 LYS NZ :NH3+ 168:sc= -0.0313 (180deg=-0.215) USER MOD Single : A 110 HIS : no HE2:sc= 0.166 K(o=0.17,f=-5.5!) USER MOD Single : A 114 SER OG : rot -37:sc= -1.17 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -4.464 16.224 -11.747 1.00 0.00 N ATOM 2 CA ALA A 1 -5.436 15.156 -11.999 1.00 0.00 C ATOM 3 C ALA A 1 -4.744 13.914 -12.559 1.00 0.00 C ATOM 4 O ALA A 1 -5.179 12.790 -12.326 1.00 0.00 O ATOM 5 CB ALA A 1 -6.516 15.642 -12.944 1.00 0.00 C ATOM 0 H1 ALA A 1 -4.853 16.890 -11.049 1.00 0.00 H new ATOM 0 H2 ALA A 1 -3.583 15.812 -11.379 1.00 0.00 H new ATOM 0 H3 ALA A 1 -4.266 16.729 -12.634 1.00 0.00 H new ATOM 0 HA ALA A 1 -5.902 14.882 -11.053 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -7.231 14.839 -13.123 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -7.031 16.495 -12.501 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -6.064 15.942 -13.889 1.00 0.00 H new ATOM 13 N ASP A 2 -3.631 14.113 -13.244 1.00 0.00 N ATOM 14 CA ASP A 2 -2.847 13.022 -13.856 1.00 0.00 C ATOM 15 C ASP A 2 -1.794 12.550 -12.832 1.00 0.00 C ATOM 16 O ASP A 2 -0.684 12.146 -13.173 1.00 0.00 O ATOM 17 CB ASP A 2 -2.180 13.567 -15.131 1.00 0.00 C ATOM 18 CG ASP A 2 -1.592 12.500 -16.035 1.00 0.00 C ATOM 19 OD1 ASP A 2 -2.349 11.870 -16.799 1.00 0.00 O ATOM 20 OD2 ASP A 2 -0.363 12.306 -16.034 1.00 0.00 O ATOM 0 H ASP A 2 -3.232 15.039 -13.400 1.00 0.00 H new ATOM 0 HA ASP A 2 -3.477 12.174 -14.125 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -2.916 14.139 -15.696 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -1.389 14.260 -14.845 1.00 0.00 H new ATOM 25 N GLU A 3 -2.202 12.600 -11.574 1.00 0.00 N ATOM 26 CA GLU A 3 -1.378 12.344 -10.394 1.00 0.00 C ATOM 27 C GLU A 3 -0.619 11.007 -10.477 1.00 0.00 C ATOM 28 O GLU A 3 -1.236 9.937 -10.462 1.00 0.00 O ATOM 29 CB GLU A 3 -2.273 12.343 -9.146 1.00 0.00 C ATOM 30 CG GLU A 3 -3.160 13.581 -9.006 1.00 0.00 C ATOM 31 CD GLU A 3 -2.388 14.874 -9.091 1.00 0.00 C ATOM 32 OE1 GLU A 3 -1.684 15.224 -8.141 1.00 0.00 O ATOM 33 OE2 GLU A 3 -2.479 15.569 -10.127 1.00 0.00 O ATOM 0 H GLU A 3 -3.165 12.832 -11.332 1.00 0.00 H new ATOM 0 HA GLU A 3 -0.632 13.136 -10.339 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -2.907 11.457 -9.169 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -1.642 12.261 -8.261 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -3.920 13.566 -9.787 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -3.684 13.539 -8.051 1.00 0.00 H new ATOM 40 N PRO A 4 0.729 11.044 -10.549 1.00 0.00 N ATOM 41 CA PRO A 4 1.580 9.836 -10.632 1.00 0.00 C ATOM 42 C PRO A 4 1.744 9.125 -9.278 1.00 0.00 C ATOM 43 O PRO A 4 2.753 8.464 -9.029 1.00 0.00 O ATOM 44 CB PRO A 4 2.941 10.387 -11.101 1.00 0.00 C ATOM 45 CG PRO A 4 2.690 11.801 -11.472 1.00 0.00 C ATOM 46 CD PRO A 4 1.549 12.251 -10.606 1.00 0.00 C ATOM 0 HA PRO A 4 1.145 9.089 -11.296 1.00 0.00 H new ATOM 0 HB2 PRO A 4 3.687 10.316 -10.310 1.00 0.00 H new ATOM 0 HB3 PRO A 4 3.322 9.820 -11.950 1.00 0.00 H new ATOM 0 HG2 PRO A 4 3.576 12.414 -11.303 1.00 0.00 H new ATOM 0 HG3 PRO A 4 2.438 11.890 -12.529 1.00 0.00 H new ATOM 0 HD2 PRO A 4 1.884 12.566 -9.618 1.00 0.00 H new ATOM 0 HD3 PRO A 4 1.010 13.092 -11.043 1.00 0.00 H new ATOM 54 N ALA A 5 0.740 9.245 -8.430 1.00 0.00 N ATOM 55 CA ALA A 5 0.720 8.582 -7.141 1.00 0.00 C ATOM 56 C ALA A 5 0.495 7.095 -7.361 1.00 0.00 C ATOM 57 O ALA A 5 1.041 6.242 -6.656 1.00 0.00 O ATOM 58 CB ALA A 5 -0.386 9.167 -6.274 1.00 0.00 C ATOM 0 H ALA A 5 -0.089 9.809 -8.618 1.00 0.00 H new ATOM 0 HA ALA A 5 1.670 8.733 -6.628 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -0.395 8.664 -5.307 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -0.208 10.232 -6.127 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -1.348 9.024 -6.766 1.00 0.00 H new ATOM 64 N TYR A 6 -0.271 6.805 -8.384 1.00 0.00 N ATOM 65 CA TYR A 6 -0.571 5.485 -8.769 1.00 0.00 C ATOM 66 C TYR A 6 -0.136 5.318 -10.199 1.00 0.00 C ATOM 67 O TYR A 6 -0.627 6.001 -11.098 1.00 0.00 O ATOM 68 CB TYR A 6 -2.066 5.128 -8.528 1.00 0.00 C ATOM 69 CG TYR A 6 -3.101 5.996 -9.242 1.00 0.00 C ATOM 70 CD1 TYR A 6 -3.411 7.270 -8.782 1.00 0.00 C ATOM 71 CD2 TYR A 6 -3.771 5.529 -10.369 1.00 0.00 C ATOM 72 CE1 TYR A 6 -4.354 8.051 -9.421 1.00 0.00 C ATOM 73 CE2 TYR A 6 -4.715 6.303 -11.012 1.00 0.00 C ATOM 74 CZ TYR A 6 -5.004 7.563 -10.534 1.00 0.00 C ATOM 75 OH TYR A 6 -5.941 8.348 -11.178 1.00 0.00 O ATOM 0 H TYR A 6 -0.705 7.514 -8.975 1.00 0.00 H new ATOM 0 HA TYR A 6 -0.026 4.774 -8.148 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -2.222 4.093 -8.831 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -2.260 5.179 -7.457 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -2.906 7.656 -7.909 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -3.548 4.542 -10.747 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -4.581 9.040 -9.050 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -5.225 5.924 -11.885 1.00 0.00 H new ATOM 0 HH TYR A 6 -6.306 7.859 -11.944 1.00 0.00 H new ATOM 85 N LEU A 7 0.844 4.505 -10.383 1.00 0.00 N ATOM 86 CA LEU A 7 1.410 4.256 -11.687 1.00 0.00 C ATOM 87 C LEU A 7 0.834 2.977 -12.259 1.00 0.00 C ATOM 88 O LEU A 7 0.033 2.300 -11.598 1.00 0.00 O ATOM 89 CB LEU A 7 2.938 4.173 -11.597 1.00 0.00 C ATOM 90 CG LEU A 7 3.649 5.429 -11.084 1.00 0.00 C ATOM 91 CD1 LEU A 7 5.133 5.162 -10.908 1.00 0.00 C ATOM 92 CD2 LEU A 7 3.433 6.597 -12.040 1.00 0.00 C ATOM 0 H LEU A 7 1.290 3.981 -9.630 1.00 0.00 H new ATOM 0 HA LEU A 7 1.155 5.081 -12.352 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.199 3.340 -10.945 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.328 3.937 -12.587 1.00 0.00 H new ATOM 0 HG LEU A 7 3.223 5.692 -10.116 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.624 6.064 -10.543 1.00 0.00 H new ATOM 0 HD12 LEU A 7 5.275 4.355 -10.189 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.567 4.875 -11.866 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.946 7.480 -11.658 1.00 0.00 H new ATOM 0 HD22 LEU A 7 3.832 6.342 -13.022 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.366 6.805 -12.125 1.00 0.00 H new ATOM 104 N THR A 8 1.237 2.643 -13.459 1.00 0.00 N ATOM 105 CA THR A 8 0.725 1.498 -14.148 1.00 0.00 C ATOM 106 C THR A 8 1.875 0.702 -14.794 1.00 0.00 C ATOM 107 O THR A 8 3.021 1.175 -14.825 1.00 0.00 O ATOM 108 CB THR A 8 -0.326 1.943 -15.197 1.00 0.00 C ATOM 109 OG1 THR A 8 0.188 3.052 -15.966 1.00 0.00 O ATOM 110 CG2 THR A 8 -1.633 2.361 -14.526 1.00 0.00 C ATOM 0 H THR A 8 1.936 3.167 -13.985 1.00 0.00 H new ATOM 0 HA THR A 8 0.231 0.837 -13.436 1.00 0.00 H new ATOM 0 HB THR A 8 -0.526 1.095 -15.852 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.479 3.328 -16.628 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.351 2.668 -15.287 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.038 1.520 -13.963 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.444 3.194 -13.848 1.00 0.00 H new ATOM 118 N VAL A 9 1.577 -0.495 -15.277 1.00 0.00 N ATOM 119 CA VAL A 9 2.580 -1.385 -15.863 1.00 0.00 C ATOM 120 C VAL A 9 3.177 -0.780 -17.134 1.00 0.00 C ATOM 121 O VAL A 9 2.451 -0.452 -18.081 1.00 0.00 O ATOM 122 CB VAL A 9 1.980 -2.788 -16.186 1.00 0.00 C ATOM 123 CG1 VAL A 9 3.020 -3.709 -16.821 1.00 0.00 C ATOM 124 CG2 VAL A 9 1.413 -3.432 -14.930 1.00 0.00 C ATOM 0 H VAL A 9 0.633 -0.881 -15.276 1.00 0.00 H new ATOM 0 HA VAL A 9 3.370 -1.506 -15.122 1.00 0.00 H new ATOM 0 HB VAL A 9 1.174 -2.640 -16.904 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.567 -4.678 -17.033 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.380 -3.266 -17.750 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.856 -3.842 -16.134 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.999 -4.410 -15.177 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.206 -3.550 -14.192 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.626 -2.799 -14.520 1.00 0.00 H new ATOM 134 N GLY A 10 4.486 -0.633 -17.150 1.00 0.00 N ATOM 135 CA GLY A 10 5.147 -0.094 -18.305 1.00 0.00 C ATOM 136 C GLY A 10 6.077 1.038 -17.959 1.00 0.00 C ATOM 137 O GLY A 10 7.127 1.187 -18.587 1.00 0.00 O ATOM 0 H GLY A 10 5.104 -0.880 -16.377 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.711 -0.885 -18.800 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.400 0.258 -19.016 1.00 0.00 H new ATOM 141 N THR A 11 5.702 1.816 -16.945 1.00 0.00 N ATOM 142 CA THR A 11 6.451 2.966 -16.517 1.00 0.00 C ATOM 143 C THR A 11 7.885 2.576 -16.089 1.00 0.00 C ATOM 144 O THR A 11 8.104 1.529 -15.455 1.00 0.00 O ATOM 145 CB THR A 11 5.714 3.641 -15.343 1.00 0.00 C ATOM 146 OG1 THR A 11 4.325 3.799 -15.682 1.00 0.00 O ATOM 147 CG2 THR A 11 6.286 5.003 -15.061 1.00 0.00 C ATOM 0 H THR A 11 4.856 1.652 -16.399 1.00 0.00 H new ATOM 0 HA THR A 11 6.532 3.660 -17.354 1.00 0.00 H new ATOM 0 HB THR A 11 5.831 3.012 -14.461 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.823 3.014 -15.378 1.00 0.00 H new ATOM 0 HG21 THR A 11 5.749 5.458 -14.229 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.341 4.908 -14.804 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.183 5.631 -15.946 1.00 0.00 H new ATOM 155 N ASP A 12 8.829 3.386 -16.473 1.00 0.00 N ATOM 156 CA ASP A 12 10.225 3.174 -16.160 1.00 0.00 C ATOM 157 C ASP A 12 10.584 4.069 -14.998 1.00 0.00 C ATOM 158 O ASP A 12 10.500 5.299 -15.100 1.00 0.00 O ATOM 159 CB ASP A 12 11.120 3.508 -17.368 1.00 0.00 C ATOM 160 CG ASP A 12 10.852 2.646 -18.592 1.00 0.00 C ATOM 161 OD1 ASP A 12 9.790 2.809 -19.236 1.00 0.00 O ATOM 162 OD2 ASP A 12 11.714 1.819 -18.965 1.00 0.00 O ATOM 0 H ASP A 12 8.654 4.228 -17.022 1.00 0.00 H new ATOM 0 HA ASP A 12 10.385 2.126 -15.907 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.977 4.555 -17.635 1.00 0.00 H new ATOM 0 HB3 ASP A 12 12.164 3.393 -17.077 1.00 0.00 H new ATOM 167 N VAL A 13 10.951 3.478 -13.901 1.00 0.00 N ATOM 168 CA VAL A 13 11.237 4.200 -12.675 1.00 0.00 C ATOM 169 C VAL A 13 12.589 3.797 -12.129 1.00 0.00 C ATOM 170 O VAL A 13 13.294 2.996 -12.723 1.00 0.00 O ATOM 171 CB VAL A 13 10.145 3.941 -11.594 1.00 0.00 C ATOM 172 CG1 VAL A 13 8.818 4.539 -12.015 1.00 0.00 C ATOM 173 CG2 VAL A 13 9.984 2.449 -11.350 1.00 0.00 C ATOM 0 H VAL A 13 11.065 2.468 -13.820 1.00 0.00 H new ATOM 0 HA VAL A 13 11.242 5.263 -12.915 1.00 0.00 H new ATOM 0 HB VAL A 13 10.465 4.420 -10.669 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.071 4.346 -11.245 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.930 5.615 -12.150 1.00 0.00 H new ATOM 0 HG13 VAL A 13 8.497 4.087 -12.954 1.00 0.00 H new ATOM 0 HG21 VAL A 13 9.218 2.285 -10.592 1.00 0.00 H new ATOM 0 HG22 VAL A 13 9.688 1.958 -12.277 1.00 0.00 H new ATOM 0 HG23 VAL A 13 10.930 2.033 -11.005 1.00 0.00 H new ATOM 183 N SER A 14 12.965 4.362 -11.025 1.00 0.00 N ATOM 184 CA SER A 14 14.203 4.014 -10.410 1.00 0.00 C ATOM 185 C SER A 14 13.941 3.696 -8.960 1.00 0.00 C ATOM 186 O SER A 14 13.165 4.381 -8.316 1.00 0.00 O ATOM 187 CB SER A 14 15.210 5.150 -10.567 1.00 0.00 C ATOM 188 OG SER A 14 15.317 5.529 -11.935 1.00 0.00 O ATOM 0 H SER A 14 12.426 5.072 -10.529 1.00 0.00 H new ATOM 0 HA SER A 14 14.634 3.137 -10.892 1.00 0.00 H new ATOM 0 HB2 SER A 14 14.899 6.006 -9.969 1.00 0.00 H new ATOM 0 HB3 SER A 14 16.184 4.836 -10.192 1.00 0.00 H new ATOM 0 HG SER A 14 15.965 6.259 -12.022 1.00 0.00 H new ATOM 194 N ALA A 15 14.552 2.665 -8.492 1.00 0.00 N ATOM 195 CA ALA A 15 14.403 2.184 -7.152 1.00 0.00 C ATOM 196 C ALA A 15 15.676 2.514 -6.397 1.00 0.00 C ATOM 197 O ALA A 15 16.780 2.250 -6.893 1.00 0.00 O ATOM 198 CB ALA A 15 14.217 0.682 -7.226 1.00 0.00 C ATOM 0 H ALA A 15 15.197 2.107 -9.051 1.00 0.00 H new ATOM 0 HA ALA A 15 13.551 2.638 -6.646 1.00 0.00 H new ATOM 0 HB1 ALA A 15 14.100 0.280 -6.220 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.328 0.454 -7.814 1.00 0.00 H new ATOM 0 HB3 ALA A 15 15.089 0.230 -7.698 1.00 0.00 H new ATOM 204 N LYS A 16 15.544 3.139 -5.254 1.00 0.00 N ATOM 205 CA LYS A 16 16.705 3.513 -4.470 1.00 0.00 C ATOM 206 C LYS A 16 17.158 2.357 -3.564 1.00 0.00 C ATOM 207 O LYS A 16 16.396 1.889 -2.696 1.00 0.00 O ATOM 208 CB LYS A 16 16.405 4.735 -3.603 1.00 0.00 C ATOM 209 CG LYS A 16 17.606 5.228 -2.799 1.00 0.00 C ATOM 210 CD LYS A 16 17.200 6.197 -1.691 1.00 0.00 C ATOM 211 CE LYS A 16 16.525 7.450 -2.216 1.00 0.00 C ATOM 212 NZ LYS A 16 16.108 8.335 -1.113 1.00 0.00 N ATOM 0 H LYS A 16 14.648 3.401 -4.842 1.00 0.00 H new ATOM 0 HA LYS A 16 17.504 3.752 -5.171 1.00 0.00 H new ATOM 0 HB2 LYS A 16 16.050 5.544 -4.241 1.00 0.00 H new ATOM 0 HB3 LYS A 16 15.594 4.492 -2.916 1.00 0.00 H new ATOM 0 HG2 LYS A 16 18.123 4.374 -2.361 1.00 0.00 H new ATOM 0 HG3 LYS A 16 18.312 5.719 -3.468 1.00 0.00 H new ATOM 0 HD2 LYS A 16 16.525 5.689 -1.002 1.00 0.00 H new ATOM 0 HD3 LYS A 16 18.085 6.480 -1.121 1.00 0.00 H new ATOM 0 HE2 LYS A 16 17.208 7.985 -2.876 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.656 7.175 -2.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.088 8.525 -1.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.309 7.874 -0.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.633 9.231 -1.170 1.00 0.00 H new ATOM 226 N TYR A 17 18.378 1.920 -3.759 1.00 0.00 N ATOM 227 CA TYR A 17 18.986 0.893 -2.941 1.00 0.00 C ATOM 228 C TYR A 17 20.293 1.398 -2.399 1.00 0.00 C ATOM 229 O TYR A 17 21.221 1.625 -3.161 1.00 0.00 O ATOM 230 CB TYR A 17 19.277 -0.383 -3.737 1.00 0.00 C ATOM 231 CG TYR A 17 18.079 -1.039 -4.336 1.00 0.00 C ATOM 232 CD1 TYR A 17 17.253 -1.835 -3.572 1.00 0.00 C ATOM 233 CD2 TYR A 17 17.779 -0.861 -5.666 1.00 0.00 C ATOM 234 CE1 TYR A 17 16.149 -2.440 -4.119 1.00 0.00 C ATOM 235 CE2 TYR A 17 16.688 -1.451 -6.230 1.00 0.00 C ATOM 236 CZ TYR A 17 15.865 -2.248 -5.446 1.00 0.00 C ATOM 237 OH TYR A 17 14.760 -2.844 -5.990 1.00 0.00 O ATOM 0 H TYR A 17 18.986 2.270 -4.499 1.00 0.00 H new ATOM 0 HA TYR A 17 18.281 0.658 -2.143 1.00 0.00 H new ATOM 0 HB2 TYR A 17 19.979 -0.143 -4.536 1.00 0.00 H new ATOM 0 HB3 TYR A 17 19.774 -1.097 -3.081 1.00 0.00 H new ATOM 0 HD1 TYR A 17 17.478 -1.985 -2.526 1.00 0.00 H new ATOM 0 HD2 TYR A 17 18.420 -0.242 -6.275 1.00 0.00 H new ATOM 0 HE1 TYR A 17 15.510 -3.062 -3.509 1.00 0.00 H new ATOM 0 HE2 TYR A 17 16.466 -1.300 -7.276 1.00 0.00 H new ATOM 0 HH TYR A 17 14.237 -2.177 -6.481 1.00 0.00 H new ATOM 247 N ARG A 18 20.339 1.648 -1.099 1.00 0.00 N ATOM 248 CA ARG A 18 21.574 1.991 -0.373 1.00 0.00 C ATOM 249 C ARG A 18 22.208 3.286 -0.875 1.00 0.00 C ATOM 250 O ARG A 18 23.413 3.509 -0.706 1.00 0.00 O ATOM 251 CB ARG A 18 22.568 0.835 -0.483 1.00 0.00 C ATOM 252 CG ARG A 18 22.037 -0.475 0.069 1.00 0.00 C ATOM 253 CD ARG A 18 23.016 -1.595 -0.164 1.00 0.00 C ATOM 254 NE ARG A 18 24.293 -1.359 0.512 1.00 0.00 N ATOM 255 CZ ARG A 18 25.474 -1.831 0.095 1.00 0.00 C ATOM 256 NH1 ARG A 18 25.566 -2.473 -1.073 1.00 0.00 N ATOM 257 NH2 ARG A 18 26.564 -1.624 0.823 1.00 0.00 N ATOM 0 H ARG A 18 19.513 1.620 -0.501 1.00 0.00 H new ATOM 0 HA ARG A 18 21.309 2.156 0.671 1.00 0.00 H new ATOM 0 HB2 ARG A 18 22.837 0.696 -1.530 1.00 0.00 H new ATOM 0 HB3 ARG A 18 23.482 1.100 0.049 1.00 0.00 H new ATOM 0 HG2 ARG A 18 21.844 -0.372 1.137 1.00 0.00 H new ATOM 0 HG3 ARG A 18 21.085 -0.715 -0.405 1.00 0.00 H new ATOM 0 HD2 ARG A 18 22.586 -2.532 0.191 1.00 0.00 H new ATOM 0 HD3 ARG A 18 23.188 -1.709 -1.234 1.00 0.00 H new ATOM 0 HE ARG A 18 24.282 -0.795 1.361 1.00 0.00 H new ATOM 0 HH11 ARG A 18 24.735 -2.605 -1.650 1.00 0.00 H new ATOM 0 HH12 ARG A 18 26.467 -2.832 -1.388 1.00 0.00 H new ATOM 0 HH21 ARG A 18 26.501 -1.106 1.699 1.00 0.00 H new ATOM 0 HH22 ARG A 18 27.465 -1.983 0.506 1.00 0.00 H new ATOM 271 N GLY A 19 21.397 4.162 -1.418 1.00 0.00 N ATOM 272 CA GLY A 19 21.914 5.394 -1.965 1.00 0.00 C ATOM 273 C GLY A 19 22.398 5.221 -3.388 1.00 0.00 C ATOM 274 O GLY A 19 23.293 5.927 -3.849 1.00 0.00 O ATOM 0 H GLY A 19 20.386 4.047 -1.493 1.00 0.00 H new ATOM 0 HA2 GLY A 19 21.137 6.158 -1.936 1.00 0.00 H new ATOM 0 HA3 GLY A 19 22.735 5.751 -1.343 1.00 0.00 H new ATOM 278 N ALA A 20 21.854 4.254 -4.064 1.00 0.00 N ATOM 279 CA ALA A 20 22.131 4.023 -5.459 1.00 0.00 C ATOM 280 C ALA A 20 20.813 3.829 -6.150 1.00 0.00 C ATOM 281 O ALA A 20 19.878 3.298 -5.552 1.00 0.00 O ATOM 282 CB ALA A 20 23.023 2.798 -5.646 1.00 0.00 C ATOM 0 H ALA A 20 21.194 3.590 -3.660 1.00 0.00 H new ATOM 0 HA ALA A 20 22.666 4.872 -5.883 1.00 0.00 H new ATOM 0 HB1 ALA A 20 23.216 2.647 -6.708 1.00 0.00 H new ATOM 0 HB2 ALA A 20 23.967 2.952 -5.124 1.00 0.00 H new ATOM 0 HB3 ALA A 20 22.523 1.919 -5.240 1.00 0.00 H new ATOM 288 N PHE A 21 20.699 4.282 -7.353 1.00 0.00 N ATOM 289 CA PHE A 21 19.464 4.144 -8.065 1.00 0.00 C ATOM 290 C PHE A 21 19.570 3.097 -9.132 1.00 0.00 C ATOM 291 O PHE A 21 20.423 3.172 -10.025 1.00 0.00 O ATOM 292 CB PHE A 21 18.987 5.481 -8.644 1.00 0.00 C ATOM 293 CG PHE A 21 18.546 6.466 -7.596 1.00 0.00 C ATOM 294 CD1 PHE A 21 19.450 7.339 -7.015 1.00 0.00 C ATOM 295 CD2 PHE A 21 17.224 6.512 -7.193 1.00 0.00 C ATOM 296 CE1 PHE A 21 19.042 8.236 -6.049 1.00 0.00 C ATOM 297 CE2 PHE A 21 16.811 7.407 -6.227 1.00 0.00 C ATOM 298 CZ PHE A 21 17.721 8.269 -5.657 1.00 0.00 C ATOM 0 H PHE A 21 21.444 4.752 -7.868 1.00 0.00 H new ATOM 0 HA PHE A 21 18.711 3.817 -7.348 1.00 0.00 H new ATOM 0 HB2 PHE A 21 19.793 5.922 -9.230 1.00 0.00 H new ATOM 0 HB3 PHE A 21 18.159 5.297 -9.329 1.00 0.00 H new ATOM 0 HD1 PHE A 21 20.486 7.318 -7.321 1.00 0.00 H new ATOM 0 HD2 PHE A 21 16.506 5.840 -7.639 1.00 0.00 H new ATOM 0 HE1 PHE A 21 19.756 8.911 -5.601 1.00 0.00 H new ATOM 0 HE2 PHE A 21 15.776 7.431 -5.919 1.00 0.00 H new ATOM 0 HZ PHE A 21 17.399 8.971 -4.902 1.00 0.00 H new ATOM 308 N CYS A 22 18.748 2.107 -9.013 1.00 0.00 N ATOM 309 CA CYS A 22 18.656 1.077 -10.010 1.00 0.00 C ATOM 310 C CYS A 22 17.399 1.340 -10.805 1.00 0.00 C ATOM 311 O CYS A 22 16.341 1.537 -10.213 1.00 0.00 O ATOM 312 CB CYS A 22 18.586 -0.289 -9.338 1.00 0.00 C ATOM 313 SG CYS A 22 19.973 -0.646 -8.238 1.00 0.00 S ATOM 0 H CYS A 22 18.117 1.984 -8.221 1.00 0.00 H new ATOM 0 HA CYS A 22 19.529 1.083 -10.663 1.00 0.00 H new ATOM 0 HB2 CYS A 22 17.659 -0.354 -8.768 1.00 0.00 H new ATOM 0 HB3 CYS A 22 18.541 -1.059 -10.109 1.00 0.00 H new ATOM 0 HG CYS A 22 19.529 -1.184 -7.141 1.00 0.00 H new ATOM 319 N GLU A 23 17.477 1.382 -12.110 1.00 0.00 N ATOM 320 CA GLU A 23 16.293 1.676 -12.856 1.00 0.00 C ATOM 321 C GLU A 23 15.617 0.403 -13.259 1.00 0.00 C ATOM 322 O GLU A 23 16.273 -0.598 -13.609 1.00 0.00 O ATOM 323 CB GLU A 23 16.526 2.630 -14.038 1.00 0.00 C ATOM 324 CG GLU A 23 17.152 2.030 -15.271 1.00 0.00 C ATOM 325 CD GLU A 23 17.506 3.103 -16.267 1.00 0.00 C ATOM 326 OE1 GLU A 23 16.627 3.537 -17.040 1.00 0.00 O ATOM 327 OE2 GLU A 23 18.667 3.574 -16.270 1.00 0.00 O ATOM 0 H GLU A 23 18.321 1.221 -12.659 1.00 0.00 H new ATOM 0 HA GLU A 23 15.622 2.229 -12.199 1.00 0.00 H new ATOM 0 HB2 GLU A 23 15.567 3.066 -14.319 1.00 0.00 H new ATOM 0 HB3 GLU A 23 17.160 3.448 -13.697 1.00 0.00 H new ATOM 0 HG2 GLU A 23 18.048 1.473 -14.995 1.00 0.00 H new ATOM 0 HG3 GLU A 23 16.462 1.319 -15.725 1.00 0.00 H new ATOM 334 N ALA A 24 14.339 0.425 -13.188 1.00 0.00 N ATOM 335 CA ALA A 24 13.553 -0.727 -13.408 1.00 0.00 C ATOM 336 C ALA A 24 12.283 -0.336 -14.069 1.00 0.00 C ATOM 337 O ALA A 24 11.827 0.810 -13.953 1.00 0.00 O ATOM 338 CB ALA A 24 13.275 -1.422 -12.097 1.00 0.00 C ATOM 0 H ALA A 24 13.799 1.263 -12.971 1.00 0.00 H new ATOM 0 HA ALA A 24 14.093 -1.419 -14.055 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.668 -2.309 -12.277 1.00 0.00 H new ATOM 0 HB2 ALA A 24 14.217 -1.715 -11.633 1.00 0.00 H new ATOM 0 HB3 ALA A 24 12.739 -0.744 -11.433 1.00 0.00 H new ATOM 344 N LYS A 25 11.704 -1.250 -14.727 1.00 0.00 N ATOM 345 CA LYS A 25 10.523 -0.995 -15.455 1.00 0.00 C ATOM 346 C LYS A 25 9.400 -1.743 -14.779 1.00 0.00 C ATOM 347 O LYS A 25 9.570 -2.891 -14.423 1.00 0.00 O ATOM 348 CB LYS A 25 10.742 -1.463 -16.880 1.00 0.00 C ATOM 349 CG LYS A 25 9.660 -1.063 -17.853 1.00 0.00 C ATOM 350 CD LYS A 25 9.946 -1.632 -19.222 1.00 0.00 C ATOM 351 CE LYS A 25 9.013 -1.067 -20.273 1.00 0.00 C ATOM 352 NZ LYS A 25 9.171 0.394 -20.408 1.00 0.00 N ATOM 0 H LYS A 25 12.035 -2.213 -14.781 1.00 0.00 H new ATOM 0 HA LYS A 25 10.268 0.064 -15.481 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.694 -1.068 -17.235 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.828 -2.550 -16.881 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.693 -1.420 -17.498 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.597 0.024 -17.910 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.978 -1.414 -19.498 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.846 -2.717 -19.193 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.211 -1.546 -21.232 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.982 -1.299 -20.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.938 0.680 -21.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.532 0.875 -19.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.154 0.658 -20.196 1.00 0.00 H new ATOM 366 N ILE A 26 8.291 -1.092 -14.557 1.00 0.00 N ATOM 367 CA ILE A 26 7.180 -1.705 -13.853 1.00 0.00 C ATOM 368 C ILE A 26 6.673 -2.963 -14.569 1.00 0.00 C ATOM 369 O ILE A 26 6.292 -2.924 -15.739 1.00 0.00 O ATOM 370 CB ILE A 26 6.016 -0.726 -13.605 1.00 0.00 C ATOM 371 CG1 ILE A 26 6.510 0.530 -12.862 1.00 0.00 C ATOM 372 CG2 ILE A 26 4.953 -1.421 -12.792 1.00 0.00 C ATOM 373 CD1 ILE A 26 5.424 1.528 -12.530 1.00 0.00 C ATOM 0 H ILE A 26 8.125 -0.130 -14.853 1.00 0.00 H new ATOM 0 HA ILE A 26 7.574 -1.997 -12.880 1.00 0.00 H new ATOM 0 HB ILE A 26 5.603 -0.413 -14.564 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.998 0.222 -11.937 1.00 0.00 H new ATOM 0 HG13 ILE A 26 7.266 1.024 -13.472 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.126 -0.735 -12.612 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.590 -2.292 -13.337 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.374 -1.739 -11.838 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.860 2.380 -12.008 1.00 0.00 H new ATOM 0 HD12 ILE A 26 4.950 1.870 -13.450 1.00 0.00 H new ATOM 0 HD13 ILE A 26 4.678 1.055 -11.892 1.00 0.00 H new ATOM 385 N LYS A 27 6.708 -4.054 -13.843 1.00 0.00 N ATOM 386 CA LYS A 27 6.317 -5.366 -14.300 1.00 0.00 C ATOM 387 C LYS A 27 4.882 -5.664 -13.867 1.00 0.00 C ATOM 388 O LYS A 27 4.064 -6.108 -14.664 1.00 0.00 O ATOM 389 CB LYS A 27 7.289 -6.397 -13.692 1.00 0.00 C ATOM 390 CG LYS A 27 6.963 -7.856 -13.957 1.00 0.00 C ATOM 391 CD LYS A 27 7.111 -8.241 -15.412 1.00 0.00 C ATOM 392 CE LYS A 27 6.701 -9.693 -15.638 1.00 0.00 C ATOM 393 NZ LYS A 27 7.530 -10.660 -14.865 1.00 0.00 N ATOM 0 H LYS A 27 7.024 -4.051 -12.873 1.00 0.00 H new ATOM 0 HA LYS A 27 6.358 -5.416 -15.388 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.289 -6.193 -14.075 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.323 -6.243 -12.613 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.617 -8.484 -13.353 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.941 -8.058 -13.636 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.497 -7.586 -16.030 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.145 -8.098 -15.726 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.654 -9.817 -15.360 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.778 -9.925 -16.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.008 -11.310 -15.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.241 -10.142 -14.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.920 -11.204 -14.223 1.00 0.00 H new ATOM 407 N THR A 28 4.589 -5.399 -12.616 1.00 0.00 N ATOM 408 CA THR A 28 3.276 -5.650 -12.064 1.00 0.00 C ATOM 409 C THR A 28 2.894 -4.464 -11.188 1.00 0.00 C ATOM 410 O THR A 28 3.775 -3.838 -10.576 1.00 0.00 O ATOM 411 CB THR A 28 3.283 -6.921 -11.171 1.00 0.00 C ATOM 412 OG1 THR A 28 3.929 -8.027 -11.851 1.00 0.00 O ATOM 413 CG2 THR A 28 1.860 -7.337 -10.787 1.00 0.00 C ATOM 0 H THR A 28 5.253 -5.003 -11.951 1.00 0.00 H new ATOM 0 HA THR A 28 2.571 -5.793 -12.883 1.00 0.00 H new ATOM 0 HB THR A 28 3.840 -6.675 -10.267 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.924 -8.816 -11.270 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.898 -8.229 -10.162 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.381 -6.528 -10.236 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.287 -7.550 -11.690 1.00 0.00 H new ATOM 421 N VAL A 29 1.626 -4.141 -11.158 1.00 0.00 N ATOM 422 CA VAL A 29 1.123 -3.096 -10.315 1.00 0.00 C ATOM 423 C VAL A 29 -0.068 -3.595 -9.566 1.00 0.00 C ATOM 424 O VAL A 29 -1.041 -4.085 -10.159 1.00 0.00 O ATOM 425 CB VAL A 29 0.695 -1.825 -11.094 1.00 0.00 C ATOM 426 CG1 VAL A 29 0.143 -0.791 -10.145 1.00 0.00 C ATOM 427 CG2 VAL A 29 1.843 -1.242 -11.806 1.00 0.00 C ATOM 0 H VAL A 29 0.912 -4.601 -11.723 1.00 0.00 H new ATOM 0 HA VAL A 29 1.941 -2.820 -9.649 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.071 -2.116 -11.813 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.153 0.096 -10.705 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.724 -1.199 -9.626 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.907 -0.521 -9.416 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.522 -0.351 -12.346 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.617 -0.971 -11.088 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.242 -1.971 -12.512 1.00 0.00 H new ATOM 437 N LYS A 30 -0.005 -3.501 -8.300 1.00 0.00 N ATOM 438 CA LYS A 30 -1.128 -3.814 -7.491 1.00 0.00 C ATOM 439 C LYS A 30 -1.627 -2.528 -6.890 1.00 0.00 C ATOM 440 O LYS A 30 -1.114 -2.069 -5.860 1.00 0.00 O ATOM 441 CB LYS A 30 -0.780 -4.842 -6.413 1.00 0.00 C ATOM 442 CG LYS A 30 -1.958 -5.276 -5.554 1.00 0.00 C ATOM 443 CD LYS A 30 -1.538 -6.300 -4.519 1.00 0.00 C ATOM 444 CE LYS A 30 -2.704 -6.718 -3.651 1.00 0.00 C ATOM 445 NZ LYS A 30 -2.305 -7.711 -2.636 1.00 0.00 N ATOM 0 H LYS A 30 0.824 -3.205 -7.785 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.909 -4.272 -8.098 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.352 -5.722 -6.893 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.009 -4.425 -5.766 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.387 -4.407 -5.055 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.738 -5.696 -6.189 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.122 -7.175 -5.019 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.748 -5.885 -3.894 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.121 -5.841 -3.157 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.492 -7.136 -4.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.132 -7.972 -2.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.930 -8.558 -3.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.571 -7.304 -2.022 1.00 0.00 H new ATOM 459 N ARG A 31 -2.547 -1.888 -7.577 1.00 0.00 N ATOM 460 CA ARG A 31 -3.087 -0.656 -7.095 1.00 0.00 C ATOM 461 C ARG A 31 -4.090 -0.883 -6.025 1.00 0.00 C ATOM 462 O ARG A 31 -5.067 -1.621 -6.190 1.00 0.00 O ATOM 463 CB ARG A 31 -3.667 0.244 -8.185 1.00 0.00 C ATOM 464 CG ARG A 31 -2.627 0.860 -9.091 1.00 0.00 C ATOM 465 CD ARG A 31 -3.228 1.904 -10.007 1.00 0.00 C ATOM 466 NE ARG A 31 -4.162 1.344 -10.988 1.00 0.00 N ATOM 467 CZ ARG A 31 -5.418 1.772 -11.179 1.00 0.00 C ATOM 468 NH1 ARG A 31 -6.007 2.537 -10.264 1.00 0.00 N ATOM 469 NH2 ARG A 31 -6.100 1.381 -12.254 1.00 0.00 N ATOM 0 H ARG A 31 -2.930 -2.206 -8.467 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.234 -0.119 -6.680 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.363 -0.338 -8.790 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.243 1.041 -7.715 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.842 1.315 -8.487 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.157 0.079 -9.689 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.747 2.650 -9.405 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.426 2.421 -10.533 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.832 0.572 -11.568 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.503 2.798 -9.417 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.963 2.862 -10.410 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.667 0.755 -12.933 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -7.056 1.707 -12.398 1.00 0.00 H new ATOM 483 N LEU A 32 -3.823 -0.292 -4.928 1.00 0.00 N ATOM 484 CA LEU A 32 -4.688 -0.302 -3.825 1.00 0.00 C ATOM 485 C LEU A 32 -4.357 0.904 -3.032 1.00 0.00 C ATOM 486 O LEU A 32 -3.219 1.375 -3.054 1.00 0.00 O ATOM 487 CB LEU A 32 -4.598 -1.602 -2.949 1.00 0.00 C ATOM 488 CG LEU A 32 -3.378 -1.800 -2.012 1.00 0.00 C ATOM 489 CD1 LEU A 32 -3.514 -3.082 -1.231 1.00 0.00 C ATOM 490 CD2 LEU A 32 -2.087 -1.819 -2.770 1.00 0.00 C ATOM 0 H LEU A 32 -2.962 0.232 -4.770 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.720 -0.295 -4.177 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.496 -1.645 -2.332 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.635 -2.456 -3.625 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.361 -0.951 -1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.649 -3.204 -0.579 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.421 -3.046 -0.628 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.570 -3.924 -1.921 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.259 -1.960 -2.075 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.100 -2.637 -3.490 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.961 -0.874 -3.298 1.00 0.00 H new ATOM 502 N VAL A 33 -5.304 1.422 -2.411 1.00 0.00 N ATOM 503 CA VAL A 33 -5.149 2.541 -1.587 1.00 0.00 C ATOM 504 C VAL A 33 -5.937 2.209 -0.359 1.00 0.00 C ATOM 505 O VAL A 33 -6.928 1.470 -0.464 1.00 0.00 O ATOM 506 CB VAL A 33 -5.664 3.829 -2.321 1.00 0.00 C ATOM 507 CG1 VAL A 33 -7.147 3.778 -2.638 1.00 0.00 C ATOM 508 CG2 VAL A 33 -5.297 5.102 -1.590 1.00 0.00 C ATOM 0 H VAL A 33 -6.261 1.072 -2.455 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.111 2.757 -1.333 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.140 3.846 -3.277 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.443 4.697 -3.145 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.352 2.925 -3.285 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.714 3.676 -1.712 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.678 5.961 -2.142 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.736 5.088 -0.592 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.213 5.175 -1.508 1.00 0.00 H new ATOM 518 N LYS A 34 -5.476 2.613 0.784 1.00 0.00 N ATOM 519 CA LYS A 34 -6.201 2.315 1.984 1.00 0.00 C ATOM 520 C LYS A 34 -7.246 3.375 2.168 1.00 0.00 C ATOM 521 O LYS A 34 -6.955 4.515 2.577 1.00 0.00 O ATOM 522 CB LYS A 34 -5.295 2.230 3.202 1.00 0.00 C ATOM 523 CG LYS A 34 -4.159 1.234 3.094 1.00 0.00 C ATOM 524 CD LYS A 34 -3.270 1.334 4.317 1.00 0.00 C ATOM 525 CE LYS A 34 -2.111 0.362 4.266 1.00 0.00 C ATOM 526 NZ LYS A 34 -1.241 0.506 5.447 1.00 0.00 N ATOM 0 H LYS A 34 -4.614 3.143 0.914 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.664 1.333 1.885 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.874 3.217 3.391 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.903 1.971 4.069 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.557 0.223 3.004 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.577 1.429 2.193 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.885 2.350 4.402 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.863 1.142 5.211 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.491 -0.658 4.213 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.530 0.533 3.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.456 -0.173 5.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.861 1.473 5.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.792 0.319 6.309 1.00 0.00 H new ATOM 540 N VAL A 35 -8.425 3.023 1.820 1.00 0.00 N ATOM 541 CA VAL A 35 -9.530 3.896 1.852 1.00 0.00 C ATOM 542 C VAL A 35 -10.131 3.859 3.233 1.00 0.00 C ATOM 543 O VAL A 35 -10.556 2.803 3.715 1.00 0.00 O ATOM 544 CB VAL A 35 -10.604 3.477 0.819 1.00 0.00 C ATOM 545 CG1 VAL A 35 -11.682 4.528 0.720 1.00 0.00 C ATOM 546 CG2 VAL A 35 -9.987 3.230 -0.541 1.00 0.00 C ATOM 0 H VAL A 35 -8.654 2.084 1.493 1.00 0.00 H new ATOM 0 HA VAL A 35 -9.191 4.902 1.603 1.00 0.00 H new ATOM 0 HB VAL A 35 -11.053 2.545 1.163 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.428 4.216 -0.011 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -12.157 4.654 1.693 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.240 5.474 0.407 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.765 2.937 -1.246 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.504 4.142 -0.892 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.247 2.433 -0.466 1.00 0.00 H new ATOM 556 N LYS A 36 -10.115 4.976 3.872 1.00 0.00 N ATOM 557 CA LYS A 36 -10.710 5.127 5.145 1.00 0.00 C ATOM 558 C LYS A 36 -12.132 5.459 4.895 1.00 0.00 C ATOM 559 O LYS A 36 -12.438 6.532 4.401 1.00 0.00 O ATOM 560 CB LYS A 36 -10.046 6.262 5.929 1.00 0.00 C ATOM 561 CG LYS A 36 -10.481 6.356 7.381 1.00 0.00 C ATOM 562 CD LYS A 36 -9.746 7.471 8.109 1.00 0.00 C ATOM 563 CE LYS A 36 -10.114 7.502 9.583 1.00 0.00 C ATOM 564 NZ LYS A 36 -9.409 8.566 10.309 1.00 0.00 N ATOM 0 H LYS A 36 -9.678 5.825 3.513 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.599 4.218 5.735 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.965 6.128 5.894 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.267 7.208 5.434 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.555 6.534 7.430 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.292 5.406 7.881 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.670 7.330 8.003 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.989 8.430 7.651 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.190 7.647 9.684 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.878 6.539 10.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.691 8.549 11.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.383 8.415 10.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.653 9.489 9.896 1.00 0.00 H new ATOM 578 N VAL A 37 -12.967 4.548 5.153 1.00 0.00 N ATOM 579 CA VAL A 37 -14.354 4.736 4.961 1.00 0.00 C ATOM 580 C VAL A 37 -15.030 4.744 6.265 1.00 0.00 C ATOM 581 O VAL A 37 -14.566 4.136 7.222 1.00 0.00 O ATOM 582 CB VAL A 37 -15.008 3.666 4.053 1.00 0.00 C ATOM 583 CG1 VAL A 37 -14.688 3.926 2.603 1.00 0.00 C ATOM 584 CG2 VAL A 37 -14.551 2.271 4.457 1.00 0.00 C ATOM 0 H VAL A 37 -12.713 3.628 5.511 1.00 0.00 H new ATOM 0 HA VAL A 37 -14.470 5.692 4.450 1.00 0.00 H new ATOM 0 HB VAL A 37 -16.089 3.727 4.180 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -15.158 3.162 1.984 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -15.066 4.908 2.317 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -13.608 3.897 2.458 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -15.021 1.532 3.808 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -13.467 2.201 4.362 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -14.837 2.080 5.491 1.00 0.00 H new ATOM 594 N LEU A 38 -16.073 5.448 6.325 1.00 0.00 N ATOM 595 CA LEU A 38 -16.855 5.478 7.492 1.00 0.00 C ATOM 596 C LEU A 38 -18.245 5.145 7.070 1.00 0.00 C ATOM 597 O LEU A 38 -18.830 5.822 6.197 1.00 0.00 O ATOM 598 CB LEU A 38 -16.726 6.838 8.216 1.00 0.00 C ATOM 599 CG LEU A 38 -17.245 6.917 9.681 1.00 0.00 C ATOM 600 CD1 LEU A 38 -16.699 8.159 10.372 1.00 0.00 C ATOM 601 CD2 LEU A 38 -18.772 6.938 9.749 1.00 0.00 C ATOM 0 H LEU A 38 -16.420 6.030 5.562 1.00 0.00 H new ATOM 0 HA LEU A 38 -16.520 4.751 8.231 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -15.674 7.123 8.215 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -17.259 7.585 7.628 1.00 0.00 H new ATOM 0 HG LEU A 38 -16.892 6.021 10.191 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -17.071 8.199 11.396 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -15.610 8.120 10.383 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -17.024 9.048 9.832 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -19.089 6.994 10.790 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -19.148 7.806 9.208 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -19.169 6.029 9.297 1.00 0.00 H new ATOM 613 N LEU A 39 -18.733 4.056 7.589 1.00 0.00 N ATOM 614 CA LEU A 39 -20.041 3.576 7.254 1.00 0.00 C ATOM 615 C LEU A 39 -21.033 4.492 7.925 1.00 0.00 C ATOM 616 O LEU A 39 -21.184 4.428 9.118 1.00 0.00 O ATOM 617 CB LEU A 39 -20.255 2.148 7.790 1.00 0.00 C ATOM 618 CG LEU A 39 -19.124 1.126 7.588 1.00 0.00 C ATOM 619 CD1 LEU A 39 -19.504 -0.210 8.192 1.00 0.00 C ATOM 620 CD2 LEU A 39 -18.770 0.964 6.126 1.00 0.00 C ATOM 0 H LEU A 39 -18.232 3.473 8.260 1.00 0.00 H new ATOM 0 HA LEU A 39 -20.163 3.560 6.171 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -20.455 2.219 8.859 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -21.155 1.747 7.324 1.00 0.00 H new ATOM 0 HG LEU A 39 -18.240 1.507 8.100 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -18.693 -0.922 8.040 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -19.685 -0.088 9.260 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -20.408 -0.583 7.711 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -17.967 0.234 6.025 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -19.645 0.619 5.576 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -18.442 1.922 5.723 1.00 0.00 H new ATOM 632 N LYS A 40 -21.691 5.342 7.170 1.00 0.00 N ATOM 633 CA LYS A 40 -22.600 6.336 7.760 1.00 0.00 C ATOM 634 C LYS A 40 -23.724 5.724 8.602 1.00 0.00 C ATOM 635 O LYS A 40 -24.112 6.289 9.618 1.00 0.00 O ATOM 636 CB LYS A 40 -23.161 7.306 6.712 1.00 0.00 C ATOM 637 CG LYS A 40 -23.895 6.664 5.544 1.00 0.00 C ATOM 638 CD LYS A 40 -24.441 7.735 4.611 1.00 0.00 C ATOM 639 CE LYS A 40 -25.062 7.143 3.363 1.00 0.00 C ATOM 640 NZ LYS A 40 -26.299 6.381 3.644 1.00 0.00 N ATOM 0 H LYS A 40 -21.624 5.377 6.153 1.00 0.00 H new ATOM 0 HA LYS A 40 -21.979 6.908 8.450 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -23.842 7.996 7.210 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -22.338 7.901 6.317 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -23.219 6.006 4.998 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -24.711 6.044 5.915 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -25.187 8.329 5.139 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -23.636 8.413 4.328 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -25.286 7.944 2.659 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -24.339 6.487 2.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -26.568 5.834 2.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -26.134 5.733 4.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -27.065 7.041 3.888 1.00 0.00 H new ATOM 654 N GLN A 41 -24.208 4.564 8.203 1.00 0.00 N ATOM 655 CA GLN A 41 -25.283 3.917 8.907 1.00 0.00 C ATOM 656 C GLN A 41 -24.811 3.351 10.250 1.00 0.00 C ATOM 657 O GLN A 41 -25.456 3.542 11.279 1.00 0.00 O ATOM 658 CB GLN A 41 -25.879 2.798 8.062 1.00 0.00 C ATOM 659 CG GLN A 41 -27.128 2.224 8.679 1.00 0.00 C ATOM 660 CD GLN A 41 -27.727 1.055 7.924 1.00 0.00 C ATOM 661 OE1 GLN A 41 -26.907 0.227 7.331 1.00 0.00 O flip ATOM 662 NE2 GLN A 41 -28.944 0.876 7.916 1.00 0.00 N flip ATOM 0 H GLN A 41 -23.867 4.052 7.389 1.00 0.00 H new ATOM 0 HA GLN A 41 -26.047 4.670 9.099 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -26.109 3.179 7.067 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -25.140 2.006 7.937 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -26.901 1.904 9.696 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -27.876 3.013 8.753 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -29.560 1.539 8.387 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -29.337 0.065 7.438 1.00 0.00 H new ATOM 671 N ASP A 42 -23.681 2.684 10.232 1.00 0.00 N ATOM 672 CA ASP A 42 -23.162 1.995 11.420 1.00 0.00 C ATOM 673 C ASP A 42 -22.237 2.886 12.217 1.00 0.00 C ATOM 674 O ASP A 42 -21.823 2.534 13.316 1.00 0.00 O ATOM 675 CB ASP A 42 -22.404 0.726 11.017 1.00 0.00 C ATOM 676 CG ASP A 42 -23.247 -0.268 10.271 1.00 0.00 C ATOM 677 OD1 ASP A 42 -23.937 -1.086 10.920 1.00 0.00 O ATOM 678 OD2 ASP A 42 -23.227 -0.263 9.018 1.00 0.00 O ATOM 0 H ASP A 42 -23.089 2.596 9.406 1.00 0.00 H new ATOM 0 HA ASP A 42 -24.019 1.733 12.040 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -21.551 1.004 10.397 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -22.005 0.251 11.913 1.00 0.00 H new ATOM 683 N ASN A 43 -21.911 4.030 11.633 1.00 0.00 N ATOM 684 CA ASN A 43 -20.981 5.052 12.165 1.00 0.00 C ATOM 685 C ASN A 43 -19.615 4.486 12.541 1.00 0.00 C ATOM 686 O ASN A 43 -18.907 5.040 13.373 1.00 0.00 O ATOM 687 CB ASN A 43 -21.571 5.967 13.287 1.00 0.00 C ATOM 688 CG ASN A 43 -21.973 5.281 14.586 1.00 0.00 C ATOM 689 OD1 ASN A 43 -21.149 5.053 15.470 1.00 0.00 O ATOM 690 ND2 ASN A 43 -23.237 5.053 14.765 1.00 0.00 N ATOM 0 H ASN A 43 -22.300 4.297 10.729 1.00 0.00 H new ATOM 0 HA ASN A 43 -20.827 5.719 11.317 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -20.835 6.736 13.522 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -22.447 6.476 12.886 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -23.566 4.677 15.654 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -23.902 5.250 14.017 1.00 0.00 H new ATOM 697 N THR A 44 -19.221 3.426 11.876 1.00 0.00 N ATOM 698 CA THR A 44 -17.949 2.807 12.108 1.00 0.00 C ATOM 699 C THR A 44 -16.966 3.140 11.006 1.00 0.00 C ATOM 700 O THR A 44 -17.350 3.294 9.843 1.00 0.00 O ATOM 701 CB THR A 44 -18.114 1.293 12.225 1.00 0.00 C ATOM 702 OG1 THR A 44 -19.153 0.851 11.333 1.00 0.00 O ATOM 703 CG2 THR A 44 -18.439 0.908 13.644 1.00 0.00 C ATOM 0 H THR A 44 -19.781 2.970 11.156 1.00 0.00 H new ATOM 0 HA THR A 44 -17.551 3.198 13.044 1.00 0.00 H new ATOM 0 HB THR A 44 -17.177 0.810 11.947 1.00 0.00 H new ATOM 0 HG1 THR A 44 -19.257 -0.121 11.408 1.00 0.00 H new ATOM 0 HG21 THR A 44 -18.553 -0.174 13.710 1.00 0.00 H new ATOM 0 HG22 THR A 44 -17.631 1.229 14.302 1.00 0.00 H new ATOM 0 HG23 THR A 44 -19.368 1.390 13.948 1.00 0.00 H new ATOM 711 N THR A 45 -15.719 3.267 11.362 1.00 0.00 N ATOM 712 CA THR A 45 -14.708 3.562 10.395 1.00 0.00 C ATOM 713 C THR A 45 -14.026 2.250 9.993 1.00 0.00 C ATOM 714 O THR A 45 -14.046 1.270 10.758 1.00 0.00 O ATOM 715 CB THR A 45 -13.666 4.519 10.976 1.00 0.00 C ATOM 716 OG1 THR A 45 -14.336 5.558 11.701 1.00 0.00 O ATOM 717 CG2 THR A 45 -12.871 5.171 9.867 1.00 0.00 C ATOM 0 H THR A 45 -15.380 3.170 12.319 1.00 0.00 H new ATOM 0 HA THR A 45 -15.166 4.039 9.528 1.00 0.00 H new ATOM 0 HB THR A 45 -13.000 3.952 11.626 1.00 0.00 H new ATOM 0 HG1 THR A 45 -13.673 6.174 12.077 1.00 0.00 H new ATOM 0 HG21 THR A 45 -12.134 5.849 10.298 1.00 0.00 H new ATOM 0 HG22 THR A 45 -12.361 4.403 9.285 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.544 5.731 9.218 1.00 0.00 H new ATOM 725 N GLN A 46 -13.475 2.216 8.816 1.00 0.00 N ATOM 726 CA GLN A 46 -12.806 1.058 8.320 1.00 0.00 C ATOM 727 C GLN A 46 -11.720 1.524 7.346 1.00 0.00 C ATOM 728 O GLN A 46 -11.939 2.456 6.591 1.00 0.00 O ATOM 729 CB GLN A 46 -13.827 0.191 7.571 1.00 0.00 C ATOM 730 CG GLN A 46 -13.561 -1.308 7.615 1.00 0.00 C ATOM 731 CD GLN A 46 -13.665 -1.861 9.027 1.00 0.00 C ATOM 732 OE1 GLN A 46 -12.682 -1.913 9.770 1.00 0.00 O ATOM 733 NE2 GLN A 46 -14.852 -2.259 9.414 1.00 0.00 N ATOM 0 H GLN A 46 -13.480 3.004 8.168 1.00 0.00 H new ATOM 0 HA GLN A 46 -12.362 0.482 9.132 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -14.816 0.381 7.988 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -13.854 0.509 6.529 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -14.274 -1.822 6.970 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -12.567 -1.512 7.218 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -15.643 -2.202 8.773 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -14.985 -2.626 10.356 1.00 0.00 H new ATOM 742 N LEU A 47 -10.568 0.922 7.395 1.00 0.00 N ATOM 743 CA LEU A 47 -9.508 1.203 6.449 1.00 0.00 C ATOM 744 C LEU A 47 -9.373 -0.003 5.567 1.00 0.00 C ATOM 745 O LEU A 47 -8.853 -1.047 5.974 1.00 0.00 O ATOM 746 CB LEU A 47 -8.170 1.545 7.149 1.00 0.00 C ATOM 747 CG LEU A 47 -7.923 3.029 7.533 1.00 0.00 C ATOM 748 CD1 LEU A 47 -6.743 3.126 8.480 1.00 0.00 C ATOM 749 CD2 LEU A 47 -7.613 3.875 6.284 1.00 0.00 C ATOM 0 H LEU A 47 -10.328 0.218 8.093 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.760 2.086 5.861 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -8.103 0.946 8.057 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.357 1.226 6.496 1.00 0.00 H new ATOM 0 HG LEU A 47 -8.827 3.406 8.011 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.575 4.170 8.746 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.952 2.551 9.382 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.853 2.727 7.994 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.444 4.911 6.579 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.720 3.487 5.794 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.455 3.827 5.594 1.00 0.00 H new ATOM 761 N VAL A 48 -9.896 0.104 4.404 1.00 0.00 N ATOM 762 CA VAL A 48 -9.948 -1.002 3.493 1.00 0.00 C ATOM 763 C VAL A 48 -9.139 -0.704 2.267 1.00 0.00 C ATOM 764 O VAL A 48 -8.612 0.376 2.125 1.00 0.00 O ATOM 765 CB VAL A 48 -11.408 -1.330 3.105 1.00 0.00 C ATOM 766 CG1 VAL A 48 -12.178 -1.788 4.333 1.00 0.00 C ATOM 767 CG2 VAL A 48 -12.082 -0.112 2.491 1.00 0.00 C ATOM 0 H VAL A 48 -10.307 0.965 4.043 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.524 -1.874 3.992 1.00 0.00 H new ATOM 0 HB VAL A 48 -11.402 -2.132 2.367 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -13.206 -2.018 4.053 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -11.707 -2.680 4.746 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -12.174 -0.996 5.081 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -13.109 -0.361 2.224 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -12.082 0.706 3.212 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -11.538 0.193 1.597 1.00 0.00 H new ATOM 777 N GLN A 49 -9.037 -1.638 1.391 1.00 0.00 N ATOM 778 CA GLN A 49 -8.273 -1.426 0.202 1.00 0.00 C ATOM 779 C GLN A 49 -9.189 -1.131 -0.969 1.00 0.00 C ATOM 780 O GLN A 49 -10.367 -1.476 -0.943 1.00 0.00 O ATOM 781 CB GLN A 49 -7.365 -2.620 -0.076 1.00 0.00 C ATOM 782 CG GLN A 49 -8.103 -3.920 -0.262 1.00 0.00 C ATOM 783 CD GLN A 49 -7.176 -5.105 -0.308 1.00 0.00 C ATOM 784 OE1 GLN A 49 -6.852 -5.678 0.727 1.00 0.00 O ATOM 785 NE2 GLN A 49 -6.757 -5.492 -1.478 1.00 0.00 N ATOM 0 H GLN A 49 -9.470 -2.558 1.469 1.00 0.00 H new ATOM 0 HA GLN A 49 -7.631 -0.557 0.347 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.778 -2.416 -0.971 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.661 -2.728 0.749 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.815 -4.050 0.553 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -8.680 -3.878 -1.186 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -7.049 -4.989 -2.316 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.137 -6.298 -1.557 1.00 0.00 H new ATOM 794 N ASP A 50 -8.607 -0.525 -1.991 1.00 0.00 N ATOM 795 CA ASP A 50 -9.274 -0.084 -3.265 1.00 0.00 C ATOM 796 C ASP A 50 -10.164 -1.178 -3.862 1.00 0.00 C ATOM 797 O ASP A 50 -11.233 -0.919 -4.389 1.00 0.00 O ATOM 798 CB ASP A 50 -8.169 0.235 -4.279 1.00 0.00 C ATOM 799 CG ASP A 50 -8.648 0.852 -5.579 1.00 0.00 C ATOM 800 OD1 ASP A 50 -9.245 0.152 -6.426 1.00 0.00 O ATOM 801 OD2 ASP A 50 -8.377 2.026 -5.800 1.00 0.00 O ATOM 0 H ASP A 50 -7.611 -0.304 -1.982 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.903 0.779 -3.045 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -7.455 0.915 -3.813 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.631 -0.685 -4.508 1.00 0.00 H new ATOM 806 N ASP A 51 -9.728 -2.393 -3.678 1.00 0.00 N ATOM 807 CA ASP A 51 -10.334 -3.583 -4.255 1.00 0.00 C ATOM 808 C ASP A 51 -11.639 -3.915 -3.579 1.00 0.00 C ATOM 809 O ASP A 51 -12.555 -4.441 -4.196 1.00 0.00 O ATOM 810 CB ASP A 51 -9.363 -4.758 -4.138 1.00 0.00 C ATOM 811 CG ASP A 51 -9.946 -6.067 -4.616 1.00 0.00 C ATOM 812 OD1 ASP A 51 -10.092 -6.253 -5.841 1.00 0.00 O ATOM 813 OD2 ASP A 51 -10.229 -6.937 -3.781 1.00 0.00 O ATOM 0 H ASP A 51 -8.912 -2.600 -3.103 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.546 -3.388 -5.306 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.465 -4.537 -4.715 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.056 -4.864 -3.098 1.00 0.00 H new ATOM 818 N GLN A 52 -11.744 -3.546 -2.329 1.00 0.00 N ATOM 819 CA GLN A 52 -12.931 -3.836 -1.558 1.00 0.00 C ATOM 820 C GLN A 52 -13.880 -2.671 -1.652 1.00 0.00 C ATOM 821 O GLN A 52 -14.983 -2.695 -1.111 1.00 0.00 O ATOM 822 CB GLN A 52 -12.566 -4.102 -0.111 1.00 0.00 C ATOM 823 CG GLN A 52 -11.567 -5.225 0.052 1.00 0.00 C ATOM 824 CD GLN A 52 -11.258 -5.528 1.503 1.00 0.00 C ATOM 825 OE1 GLN A 52 -11.319 -4.654 2.363 1.00 0.00 O ATOM 826 NE2 GLN A 52 -10.906 -6.752 1.785 1.00 0.00 N ATOM 0 H GLN A 52 -11.019 -3.041 -1.819 1.00 0.00 H new ATOM 0 HA GLN A 52 -13.413 -4.728 -1.958 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -12.156 -3.192 0.327 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -13.470 -4.344 0.447 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -11.956 -6.123 -0.427 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.644 -4.962 -0.464 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -10.866 -7.454 1.046 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.671 -7.007 2.744 1.00 0.00 H new ATOM 835 N VAL A 53 -13.433 -1.642 -2.320 1.00 0.00 N ATOM 836 CA VAL A 53 -14.249 -0.467 -2.520 1.00 0.00 C ATOM 837 C VAL A 53 -14.887 -0.474 -3.895 1.00 0.00 C ATOM 838 O VAL A 53 -14.209 -0.594 -4.910 1.00 0.00 O ATOM 839 CB VAL A 53 -13.452 0.846 -2.298 1.00 0.00 C ATOM 840 CG1 VAL A 53 -14.305 2.072 -2.617 1.00 0.00 C ATOM 841 CG2 VAL A 53 -12.989 0.911 -0.869 1.00 0.00 C ATOM 0 H VAL A 53 -12.504 -1.590 -2.738 1.00 0.00 H new ATOM 0 HA VAL A 53 -15.038 -0.501 -1.769 1.00 0.00 H new ATOM 0 HB VAL A 53 -12.594 0.846 -2.970 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -13.719 2.976 -2.452 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -14.625 2.032 -3.658 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -15.181 2.084 -1.969 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -12.429 1.832 -0.710 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -13.853 0.893 -0.205 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -12.349 0.055 -0.655 1.00 0.00 H new ATOM 851 N LYS A 54 -16.182 -0.397 -3.912 1.00 0.00 N ATOM 852 CA LYS A 54 -16.937 -0.294 -5.129 1.00 0.00 C ATOM 853 C LYS A 54 -17.392 1.143 -5.293 1.00 0.00 C ATOM 854 O LYS A 54 -18.387 1.574 -4.669 1.00 0.00 O ATOM 855 CB LYS A 54 -18.151 -1.236 -5.118 1.00 0.00 C ATOM 856 CG LYS A 54 -17.817 -2.710 -4.932 1.00 0.00 C ATOM 857 CD LYS A 54 -16.870 -3.200 -6.009 1.00 0.00 C ATOM 858 CE LYS A 54 -16.587 -4.689 -5.877 1.00 0.00 C ATOM 859 NZ LYS A 54 -15.685 -5.186 -6.941 1.00 0.00 N ATOM 0 H LYS A 54 -16.756 -0.404 -3.069 1.00 0.00 H new ATOM 0 HA LYS A 54 -16.304 -0.589 -5.966 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -18.825 -0.927 -4.319 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -18.693 -1.117 -6.056 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -17.366 -2.862 -3.951 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -18.734 -3.299 -4.956 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -17.299 -2.997 -6.990 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -15.934 -2.645 -5.950 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -16.140 -4.887 -4.903 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -17.527 -5.240 -5.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.521 -6.205 -6.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -16.122 -5.023 -7.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.778 -4.680 -6.891 1.00 0.00 H new ATOM 873 N GLY A 55 -16.630 1.891 -6.047 1.00 0.00 N ATOM 874 CA GLY A 55 -16.929 3.260 -6.292 1.00 0.00 C ATOM 875 C GLY A 55 -15.659 4.072 -6.486 1.00 0.00 C ATOM 876 O GLY A 55 -14.557 3.495 -6.544 1.00 0.00 O ATOM 0 H GLY A 55 -15.783 1.557 -6.506 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -17.557 3.345 -7.179 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -17.500 3.666 -5.457 1.00 0.00 H new ATOM 880 N PRO A 56 -15.770 5.405 -6.601 1.00 0.00 N ATOM 881 CA PRO A 56 -14.622 6.287 -6.808 1.00 0.00 C ATOM 882 C PRO A 56 -13.757 6.458 -5.567 1.00 0.00 C ATOM 883 O PRO A 56 -14.248 6.447 -4.435 1.00 0.00 O ATOM 884 CB PRO A 56 -15.254 7.648 -7.141 1.00 0.00 C ATOM 885 CG PRO A 56 -16.698 7.386 -7.361 1.00 0.00 C ATOM 886 CD PRO A 56 -17.026 6.164 -6.558 1.00 0.00 C ATOM 0 HA PRO A 56 -13.969 5.876 -7.578 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -15.106 8.357 -6.326 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.797 8.084 -8.029 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -17.301 8.236 -7.041 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -16.908 7.225 -8.418 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -17.313 6.415 -5.537 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -17.853 5.603 -6.993 1.00 0.00 H new ATOM 894 N LEU A 57 -12.480 6.647 -5.786 1.00 0.00 N ATOM 895 CA LEU A 57 -11.562 6.952 -4.715 1.00 0.00 C ATOM 896 C LEU A 57 -11.553 8.450 -4.588 1.00 0.00 C ATOM 897 O LEU A 57 -10.746 9.141 -5.208 1.00 0.00 O ATOM 898 CB LEU A 57 -10.128 6.423 -5.004 1.00 0.00 C ATOM 899 CG LEU A 57 -9.962 4.913 -5.291 1.00 0.00 C ATOM 900 CD1 LEU A 57 -10.680 4.059 -4.252 1.00 0.00 C ATOM 901 CD2 LEU A 57 -10.385 4.548 -6.715 1.00 0.00 C ATOM 0 H LEU A 57 -12.047 6.594 -6.708 1.00 0.00 H new ATOM 0 HA LEU A 57 -11.881 6.466 -3.793 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -9.734 6.972 -5.859 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.500 6.673 -4.149 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.898 4.691 -5.212 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.540 3.004 -4.488 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.270 4.267 -3.264 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -11.744 4.294 -4.260 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -10.251 3.478 -6.871 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -11.433 4.808 -6.861 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.772 5.098 -7.429 1.00 0.00 H new ATOM 913 N ARG A 58 -12.531 8.943 -3.883 1.00 0.00 N ATOM 914 CA ARG A 58 -12.746 10.361 -3.752 1.00 0.00 C ATOM 915 C ARG A 58 -13.130 10.665 -2.326 1.00 0.00 C ATOM 916 O ARG A 58 -14.126 10.138 -1.831 1.00 0.00 O ATOM 917 CB ARG A 58 -13.864 10.742 -4.723 1.00 0.00 C ATOM 918 CG ARG A 58 -14.049 12.218 -4.988 1.00 0.00 C ATOM 919 CD ARG A 58 -15.208 12.416 -5.950 1.00 0.00 C ATOM 920 NE ARG A 58 -15.291 13.774 -6.490 1.00 0.00 N ATOM 921 CZ ARG A 58 -16.209 14.178 -7.380 1.00 0.00 C ATOM 922 NH1 ARG A 58 -17.245 13.398 -7.684 1.00 0.00 N ATOM 923 NH2 ARG A 58 -16.106 15.373 -7.938 1.00 0.00 N ATOM 0 H ARG A 58 -13.208 8.371 -3.378 1.00 0.00 H new ATOM 0 HA ARG A 58 -11.849 10.933 -3.988 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -13.674 10.245 -5.674 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -14.802 10.344 -4.337 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -14.243 12.745 -4.054 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -13.136 12.640 -5.409 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -15.110 11.710 -6.775 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -16.140 12.179 -5.437 1.00 0.00 H new ATOM 0 HE ARG A 58 -14.606 14.458 -6.168 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -17.345 12.486 -7.239 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -17.939 13.713 -8.362 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -15.329 15.986 -7.691 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -16.804 15.681 -8.615 1.00 0.00 H new ATOM 937 N VAL A 59 -12.339 11.475 -1.656 1.00 0.00 N ATOM 938 CA VAL A 59 -12.602 11.804 -0.270 1.00 0.00 C ATOM 939 C VAL A 59 -13.863 12.633 -0.169 1.00 0.00 C ATOM 940 O VAL A 59 -13.930 13.753 -0.675 1.00 0.00 O ATOM 941 CB VAL A 59 -11.420 12.542 0.412 1.00 0.00 C ATOM 942 CG1 VAL A 59 -11.737 12.830 1.876 1.00 0.00 C ATOM 943 CG2 VAL A 59 -10.152 11.717 0.317 1.00 0.00 C ATOM 0 H VAL A 59 -11.508 11.918 -2.048 1.00 0.00 H new ATOM 0 HA VAL A 59 -12.732 10.862 0.263 1.00 0.00 H new ATOM 0 HB VAL A 59 -11.269 13.488 -0.109 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.895 13.348 2.336 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -12.627 13.457 1.939 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -11.916 11.892 2.401 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.334 12.250 0.801 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.304 10.758 0.813 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.906 11.548 -0.731 1.00 0.00 H new ATOM 953 N GLY A 60 -14.841 12.079 0.472 1.00 0.00 N ATOM 954 CA GLY A 60 -16.101 12.715 0.607 1.00 0.00 C ATOM 955 C GLY A 60 -17.143 12.110 -0.301 1.00 0.00 C ATOM 956 O GLY A 60 -18.247 12.628 -0.399 1.00 0.00 O ATOM 0 H GLY A 60 -14.782 11.164 0.919 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -16.435 12.640 1.642 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -15.997 13.776 0.382 1.00 0.00 H new ATOM 960 N ALA A 61 -16.798 11.034 -0.994 1.00 0.00 N ATOM 961 CA ALA A 61 -17.761 10.387 -1.882 1.00 0.00 C ATOM 962 C ALA A 61 -18.396 9.200 -1.195 1.00 0.00 C ATOM 963 O ALA A 61 -17.812 8.642 -0.261 1.00 0.00 O ATOM 964 CB ALA A 61 -17.121 9.972 -3.196 1.00 0.00 C ATOM 0 H ALA A 61 -15.878 10.595 -0.963 1.00 0.00 H new ATOM 0 HA ALA A 61 -18.540 11.113 -2.115 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -17.868 9.494 -3.830 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -16.725 10.853 -3.702 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -16.310 9.271 -3.000 1.00 0.00 H new ATOM 970 N ILE A 62 -19.581 8.827 -1.632 1.00 0.00 N ATOM 971 CA ILE A 62 -20.257 7.672 -1.101 1.00 0.00 C ATOM 972 C ILE A 62 -20.010 6.485 -2.014 1.00 0.00 C ATOM 973 O ILE A 62 -20.273 6.546 -3.221 1.00 0.00 O ATOM 974 CB ILE A 62 -21.769 7.915 -1.007 1.00 0.00 C ATOM 975 CG1 ILE A 62 -22.026 9.215 -0.264 1.00 0.00 C ATOM 976 CG2 ILE A 62 -22.462 6.737 -0.296 1.00 0.00 C ATOM 977 CD1 ILE A 62 -23.464 9.600 -0.215 1.00 0.00 C ATOM 0 H ILE A 62 -20.097 9.317 -2.363 1.00 0.00 H new ATOM 0 HA ILE A 62 -19.869 7.476 -0.102 1.00 0.00 H new ATOM 0 HB ILE A 62 -22.183 7.991 -2.012 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -21.648 9.122 0.754 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -21.461 10.015 -0.742 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -23.534 6.927 -0.238 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -22.285 5.819 -0.857 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -22.058 6.631 0.711 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -23.571 10.537 0.331 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -23.842 9.725 -1.230 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -24.033 8.819 0.290 1.00 0.00 H new ATOM 989 N VAL A 63 -19.506 5.434 -1.454 1.00 0.00 N ATOM 990 CA VAL A 63 -19.209 4.219 -2.179 1.00 0.00 C ATOM 991 C VAL A 63 -19.756 3.049 -1.428 1.00 0.00 C ATOM 992 O VAL A 63 -20.335 3.210 -0.370 1.00 0.00 O ATOM 993 CB VAL A 63 -17.687 4.007 -2.349 1.00 0.00 C ATOM 994 CG1 VAL A 63 -17.099 5.095 -3.201 1.00 0.00 C ATOM 995 CG2 VAL A 63 -16.990 3.947 -0.983 1.00 0.00 C ATOM 0 H VAL A 63 -19.281 5.384 -0.460 1.00 0.00 H new ATOM 0 HA VAL A 63 -19.664 4.307 -3.165 1.00 0.00 H new ATOM 0 HB VAL A 63 -17.526 3.053 -2.851 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -16.027 4.932 -3.311 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -17.571 5.083 -4.184 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -17.272 6.061 -2.727 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -15.920 3.797 -1.127 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -17.157 4.882 -0.448 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -17.397 3.119 -0.403 1.00 0.00 H new ATOM 1005 N GLU A 64 -19.580 1.890 -1.966 1.00 0.00 N ATOM 1006 CA GLU A 64 -19.945 0.692 -1.283 1.00 0.00 C ATOM 1007 C GLU A 64 -18.686 -0.048 -0.988 1.00 0.00 C ATOM 1008 O GLU A 64 -17.886 -0.282 -1.873 1.00 0.00 O ATOM 1009 CB GLU A 64 -20.884 -0.141 -2.113 1.00 0.00 C ATOM 1010 CG GLU A 64 -22.169 0.580 -2.438 1.00 0.00 C ATOM 1011 CD GLU A 64 -23.101 -0.269 -3.258 1.00 0.00 C ATOM 1012 OE1 GLU A 64 -22.912 -0.365 -4.484 1.00 0.00 O ATOM 1013 OE2 GLU A 64 -24.035 -0.870 -2.686 1.00 0.00 O ATOM 0 H GLU A 64 -19.179 1.744 -2.892 1.00 0.00 H new ATOM 0 HA GLU A 64 -20.474 0.926 -0.359 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -20.387 -0.426 -3.041 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -21.114 -1.063 -1.579 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -22.665 0.872 -1.512 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -21.942 1.497 -2.981 1.00 0.00 H new ATOM 1020 N THR A 65 -18.485 -0.368 0.221 1.00 0.00 N ATOM 1021 CA THR A 65 -17.269 -0.966 0.623 1.00 0.00 C ATOM 1022 C THR A 65 -17.541 -2.230 1.385 1.00 0.00 C ATOM 1023 O THR A 65 -18.603 -2.383 1.997 1.00 0.00 O ATOM 1024 CB THR A 65 -16.454 0.028 1.468 1.00 0.00 C ATOM 1025 OG1 THR A 65 -15.214 -0.544 1.878 1.00 0.00 O ATOM 1026 CG2 THR A 65 -17.252 0.491 2.671 1.00 0.00 C ATOM 0 H THR A 65 -19.159 -0.225 0.973 1.00 0.00 H new ATOM 0 HA THR A 65 -16.684 -1.225 -0.260 1.00 0.00 H new ATOM 0 HB THR A 65 -16.236 0.896 0.846 1.00 0.00 H new ATOM 0 HG1 THR A 65 -15.106 -0.432 2.846 1.00 0.00 H new ATOM 0 HG21 THR A 65 -16.656 1.193 3.254 1.00 0.00 H new ATOM 0 HG22 THR A 65 -18.165 0.982 2.335 1.00 0.00 H new ATOM 0 HG23 THR A 65 -17.509 -0.369 3.290 1.00 0.00 H new ATOM 1034 N ARG A 66 -16.618 -3.120 1.327 1.00 0.00 N ATOM 1035 CA ARG A 66 -16.748 -4.381 1.977 1.00 0.00 C ATOM 1036 C ARG A 66 -16.353 -4.233 3.414 1.00 0.00 C ATOM 1037 O ARG A 66 -15.241 -3.793 3.720 1.00 0.00 O ATOM 1038 CB ARG A 66 -15.865 -5.414 1.319 1.00 0.00 C ATOM 1039 CG ARG A 66 -16.115 -6.830 1.797 1.00 0.00 C ATOM 1040 CD ARG A 66 -15.221 -7.800 1.067 1.00 0.00 C ATOM 1041 NE ARG A 66 -15.501 -9.198 1.410 1.00 0.00 N ATOM 1042 CZ ARG A 66 -14.595 -10.184 1.363 1.00 0.00 C ATOM 1043 NH1 ARG A 66 -13.334 -9.920 1.034 1.00 0.00 N ATOM 1044 NH2 ARG A 66 -14.945 -11.426 1.631 1.00 0.00 N ATOM 0 H ARG A 66 -15.740 -2.996 0.823 1.00 0.00 H new ATOM 0 HA ARG A 66 -17.784 -4.712 1.903 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -16.016 -5.373 0.240 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -14.822 -5.157 1.504 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -15.933 -6.895 2.870 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -17.159 -7.096 1.634 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -15.344 -7.662 -0.007 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -14.180 -7.575 1.300 1.00 0.00 H new ATOM 0 HE ARG A 66 -16.448 -9.436 1.704 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -13.053 -8.964 0.816 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -12.647 -10.674 0.999 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -15.911 -11.642 1.876 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -14.250 -12.171 1.593 1.00 0.00 H new ATOM 1058 N THR A 67 -17.228 -4.590 4.281 1.00 0.00 N ATOM 1059 CA THR A 67 -16.968 -4.506 5.668 1.00 0.00 C ATOM 1060 C THR A 67 -16.247 -5.778 6.111 1.00 0.00 C ATOM 1061 O THR A 67 -16.056 -6.706 5.301 1.00 0.00 O ATOM 1062 CB THR A 67 -18.288 -4.334 6.435 1.00 0.00 C ATOM 1063 OG1 THR A 67 -19.141 -5.466 6.198 1.00 0.00 O ATOM 1064 CG2 THR A 67 -18.997 -3.070 5.980 1.00 0.00 C ATOM 0 H THR A 67 -18.152 -4.952 4.045 1.00 0.00 H new ATOM 0 HA THR A 67 -16.336 -3.643 5.880 1.00 0.00 H new ATOM 0 HB THR A 67 -18.066 -4.259 7.500 1.00 0.00 H new ATOM 0 HG1 THR A 67 -19.432 -5.466 5.262 1.00 0.00 H new ATOM 0 HG21 THR A 67 -19.931 -2.959 6.530 1.00 0.00 H new ATOM 0 HG22 THR A 67 -18.359 -2.207 6.169 1.00 0.00 H new ATOM 0 HG23 THR A 67 -19.210 -3.136 4.913 1.00 0.00 H new ATOM 1072 N SER A 68 -15.873 -5.850 7.365 1.00 0.00 N ATOM 1073 CA SER A 68 -15.188 -7.003 7.885 1.00 0.00 C ATOM 1074 C SER A 68 -16.159 -8.184 7.982 1.00 0.00 C ATOM 1075 O SER A 68 -15.749 -9.343 7.985 1.00 0.00 O ATOM 1076 CB SER A 68 -14.600 -6.649 9.229 1.00 0.00 C ATOM 1077 OG SER A 68 -13.841 -5.451 9.109 1.00 0.00 O ATOM 0 H SER A 68 -16.035 -5.112 8.050 1.00 0.00 H new ATOM 0 HA SER A 68 -14.378 -7.301 7.219 1.00 0.00 H new ATOM 0 HB2 SER A 68 -15.395 -6.518 9.963 1.00 0.00 H new ATOM 0 HB3 SER A 68 -13.966 -7.460 9.587 1.00 0.00 H new ATOM 0 HG SER A 68 -13.459 -5.217 9.981 1.00 0.00 H new ATOM 1083 N ASP A 69 -17.455 -7.859 8.005 1.00 0.00 N ATOM 1084 CA ASP A 69 -18.528 -8.853 8.002 1.00 0.00 C ATOM 1085 C ASP A 69 -18.530 -9.612 6.682 1.00 0.00 C ATOM 1086 O ASP A 69 -18.963 -10.755 6.613 1.00 0.00 O ATOM 1087 CB ASP A 69 -19.891 -8.176 8.238 1.00 0.00 C ATOM 1088 CG ASP A 69 -21.081 -9.118 8.100 1.00 0.00 C ATOM 1089 OD1 ASP A 69 -21.235 -10.040 8.915 1.00 0.00 O ATOM 1090 OD2 ASP A 69 -21.896 -8.939 7.172 1.00 0.00 O ATOM 0 H ASP A 69 -17.789 -6.895 8.026 1.00 0.00 H new ATOM 0 HA ASP A 69 -18.354 -9.560 8.813 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -19.900 -7.739 9.236 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -20.006 -7.356 7.530 1.00 0.00 H new ATOM 1095 N GLY A 70 -18.005 -8.978 5.647 1.00 0.00 N ATOM 1096 CA GLY A 70 -17.898 -9.616 4.361 1.00 0.00 C ATOM 1097 C GLY A 70 -18.824 -9.006 3.350 1.00 0.00 C ATOM 1098 O GLY A 70 -18.610 -9.122 2.134 1.00 0.00 O ATOM 0 H GLY A 70 -17.649 -8.023 5.680 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -16.871 -9.540 4.004 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -18.122 -10.678 4.464 1.00 0.00 H new ATOM 1102 N SER A 71 -19.824 -8.334 3.838 1.00 0.00 N ATOM 1103 CA SER A 71 -20.817 -7.725 3.013 1.00 0.00 C ATOM 1104 C SER A 71 -20.447 -6.281 2.689 1.00 0.00 C ATOM 1105 O SER A 71 -19.619 -5.668 3.373 1.00 0.00 O ATOM 1106 CB SER A 71 -22.159 -7.820 3.721 1.00 0.00 C ATOM 1107 OG SER A 71 -22.040 -7.381 5.062 1.00 0.00 O ATOM 0 H SER A 71 -19.972 -8.193 4.837 1.00 0.00 H new ATOM 0 HA SER A 71 -20.881 -8.250 2.060 1.00 0.00 H new ATOM 0 HB2 SER A 71 -22.898 -7.214 3.197 1.00 0.00 H new ATOM 0 HB3 SER A 71 -22.517 -8.849 3.699 1.00 0.00 H new ATOM 0 HG SER A 71 -22.261 -8.118 5.668 1.00 0.00 H new ATOM 1113 N PHE A 72 -21.024 -5.758 1.642 1.00 0.00 N ATOM 1114 CA PHE A 72 -20.770 -4.402 1.239 1.00 0.00 C ATOM 1115 C PHE A 72 -21.797 -3.470 1.855 1.00 0.00 C ATOM 1116 O PHE A 72 -22.985 -3.808 1.959 1.00 0.00 O ATOM 1117 CB PHE A 72 -20.739 -4.266 -0.294 1.00 0.00 C ATOM 1118 CG PHE A 72 -19.562 -4.946 -0.958 1.00 0.00 C ATOM 1119 CD1 PHE A 72 -19.525 -6.323 -1.108 1.00 0.00 C ATOM 1120 CD2 PHE A 72 -18.491 -4.204 -1.427 1.00 0.00 C ATOM 1121 CE1 PHE A 72 -18.450 -6.945 -1.710 1.00 0.00 C ATOM 1122 CE2 PHE A 72 -17.411 -4.822 -2.031 1.00 0.00 C ATOM 1123 CZ PHE A 72 -17.390 -6.194 -2.174 1.00 0.00 C ATOM 0 H PHE A 72 -21.682 -6.259 1.045 1.00 0.00 H new ATOM 0 HA PHE A 72 -19.784 -4.117 1.605 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -21.661 -4.681 -0.702 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -20.725 -3.207 -0.552 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -20.351 -6.919 -0.748 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -18.499 -3.129 -1.320 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -18.439 -8.020 -1.818 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -16.583 -4.230 -2.391 1.00 0.00 H new ATOM 0 HZ PHE A 72 -16.548 -6.678 -2.647 1.00 0.00 H new ATOM 1133 N GLN A 73 -21.334 -2.341 2.300 1.00 0.00 N ATOM 1134 CA GLN A 73 -22.150 -1.327 2.922 1.00 0.00 C ATOM 1135 C GLN A 73 -21.801 -0.002 2.285 1.00 0.00 C ATOM 1136 O GLN A 73 -20.657 0.184 1.845 1.00 0.00 O ATOM 1137 CB GLN A 73 -21.830 -1.276 4.424 1.00 0.00 C ATOM 1138 CG GLN A 73 -22.663 -0.294 5.235 1.00 0.00 C ATOM 1139 CD GLN A 73 -24.131 -0.627 5.194 1.00 0.00 C ATOM 1140 OE1 GLN A 73 -24.868 -0.152 4.329 1.00 0.00 O ATOM 1141 NE2 GLN A 73 -24.565 -1.430 6.123 1.00 0.00 N ATOM 0 H GLN A 73 -20.348 -2.087 2.241 1.00 0.00 H new ATOM 0 HA GLN A 73 -23.210 -1.545 2.790 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -21.966 -2.274 4.841 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -20.777 -1.021 4.546 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -22.320 -0.296 6.270 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -22.510 0.714 4.851 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -23.919 -1.800 6.820 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -25.551 -1.689 6.154 1.00 0.00 H new ATOM 1150 N GLU A 74 -22.748 0.903 2.215 1.00 0.00 N ATOM 1151 CA GLU A 74 -22.465 2.196 1.659 1.00 0.00 C ATOM 1152 C GLU A 74 -21.787 3.067 2.704 1.00 0.00 C ATOM 1153 O GLU A 74 -22.236 3.181 3.863 1.00 0.00 O ATOM 1154 CB GLU A 74 -23.700 2.866 1.051 1.00 0.00 C ATOM 1155 CG GLU A 74 -24.811 3.151 2.025 1.00 0.00 C ATOM 1156 CD GLU A 74 -26.015 3.747 1.352 1.00 0.00 C ATOM 1157 OE1 GLU A 74 -26.775 3.007 0.706 1.00 0.00 O ATOM 1158 OE2 GLU A 74 -26.236 4.955 1.468 1.00 0.00 O ATOM 0 H GLU A 74 -23.708 0.767 2.533 1.00 0.00 H new ATOM 0 HA GLU A 74 -21.778 2.060 0.824 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -23.395 3.803 0.586 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -24.088 2.228 0.257 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -25.098 2.227 2.528 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -24.451 3.834 2.794 1.00 0.00 H new ATOM 1165 N ALA A 75 -20.716 3.639 2.309 1.00 0.00 N ATOM 1166 CA ALA A 75 -19.884 4.414 3.198 1.00 0.00 C ATOM 1167 C ALA A 75 -19.310 5.613 2.504 1.00 0.00 C ATOM 1168 O ALA A 75 -19.463 5.763 1.297 1.00 0.00 O ATOM 1169 CB ALA A 75 -18.766 3.557 3.721 1.00 0.00 C ATOM 0 H ALA A 75 -20.372 3.593 1.350 1.00 0.00 H new ATOM 0 HA ALA A 75 -20.506 4.762 4.023 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -18.140 4.145 4.392 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -19.182 2.708 4.264 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -18.164 3.195 2.887 1.00 0.00 H new ATOM 1175 N ILE A 76 -18.649 6.455 3.259 1.00 0.00 N ATOM 1176 CA ILE A 76 -18.036 7.671 2.693 1.00 0.00 C ATOM 1177 C ILE A 76 -16.527 7.510 2.743 1.00 0.00 C ATOM 1178 O ILE A 76 -16.015 6.926 3.701 1.00 0.00 O ATOM 1179 CB ILE A 76 -18.325 8.958 3.535 1.00 0.00 C ATOM 1180 CG1 ILE A 76 -19.747 8.972 4.130 1.00 0.00 C ATOM 1181 CG2 ILE A 76 -18.099 10.212 2.670 1.00 0.00 C ATOM 1182 CD1 ILE A 76 -20.848 8.938 3.111 1.00 0.00 C ATOM 0 H ILE A 76 -18.512 6.338 4.263 1.00 0.00 H new ATOM 0 HA ILE A 76 -18.449 7.785 1.691 1.00 0.00 H new ATOM 0 HB ILE A 76 -17.630 8.957 4.375 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -19.858 8.115 4.795 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -19.863 9.867 4.742 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -18.302 11.104 3.262 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -17.066 10.234 2.324 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -18.769 10.187 1.811 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -21.813 8.951 3.618 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -20.768 9.809 2.460 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -20.763 8.030 2.514 1.00 0.00 H new ATOM 1194 N ILE A 77 -15.814 8.010 1.748 1.00 0.00 N ATOM 1195 CA ILE A 77 -14.358 8.017 1.822 1.00 0.00 C ATOM 1196 C ILE A 77 -13.935 9.184 2.691 1.00 0.00 C ATOM 1197 O ILE A 77 -14.121 10.320 2.321 1.00 0.00 O ATOM 1198 CB ILE A 77 -13.606 8.137 0.441 1.00 0.00 C ATOM 1199 CG1 ILE A 77 -13.899 6.976 -0.506 1.00 0.00 C ATOM 1200 CG2 ILE A 77 -12.096 8.246 0.642 1.00 0.00 C ATOM 1201 CD1 ILE A 77 -15.237 7.029 -1.150 1.00 0.00 C ATOM 0 H ILE A 77 -16.206 8.409 0.895 1.00 0.00 H new ATOM 0 HA ILE A 77 -14.078 7.046 2.229 1.00 0.00 H new ATOM 0 HB ILE A 77 -13.987 9.048 -0.020 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -13.136 6.957 -1.284 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -13.813 6.041 0.048 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -11.605 8.327 -0.328 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -11.871 9.130 1.238 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -11.733 7.358 1.159 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -15.360 6.167 -1.805 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -16.011 7.015 -0.383 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -15.323 7.945 -1.735 1.00 0.00 H new ATOM 1213 N SER A 78 -13.415 8.906 3.831 1.00 0.00 N ATOM 1214 CA SER A 78 -12.959 9.928 4.727 1.00 0.00 C ATOM 1215 C SER A 78 -11.487 10.239 4.458 1.00 0.00 C ATOM 1216 O SER A 78 -11.012 11.338 4.738 1.00 0.00 O ATOM 1217 CB SER A 78 -13.135 9.440 6.147 1.00 0.00 C ATOM 1218 OG SER A 78 -14.462 8.971 6.345 1.00 0.00 O ATOM 0 H SER A 78 -13.289 7.956 4.180 1.00 0.00 H new ATOM 0 HA SER A 78 -13.538 10.839 4.576 1.00 0.00 H new ATOM 0 HB2 SER A 78 -12.424 8.640 6.355 1.00 0.00 H new ATOM 0 HB3 SER A 78 -12.919 10.248 6.846 1.00 0.00 H new ATOM 0 HG SER A 78 -14.612 8.806 7.299 1.00 0.00 H new ATOM 1224 N LYS A 79 -10.773 9.274 3.898 1.00 0.00 N ATOM 1225 CA LYS A 79 -9.368 9.439 3.606 1.00 0.00 C ATOM 1226 C LYS A 79 -8.917 8.350 2.662 1.00 0.00 C ATOM 1227 O LYS A 79 -9.441 7.259 2.695 1.00 0.00 O ATOM 1228 CB LYS A 79 -8.518 9.351 4.910 1.00 0.00 C ATOM 1229 CG LYS A 79 -7.041 9.687 4.723 1.00 0.00 C ATOM 1230 CD LYS A 79 -6.836 11.084 4.144 1.00 0.00 C ATOM 1231 CE LYS A 79 -5.366 11.365 3.877 1.00 0.00 C ATOM 1232 NZ LYS A 79 -4.548 11.350 5.109 1.00 0.00 N ATOM 0 H LYS A 79 -11.153 8.364 3.637 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.226 10.420 3.151 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.941 10.028 5.652 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.600 8.343 5.316 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.529 9.615 5.683 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.584 8.951 4.062 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -7.401 11.181 3.217 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -7.230 11.828 4.837 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.979 10.621 3.180 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.268 12.337 3.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.581 11.663 4.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.967 11.992 5.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.520 10.385 5.495 1.00 0.00 H new ATOM 1246 N LEU A 80 -8.002 8.663 1.801 1.00 0.00 N ATOM 1247 CA LEU A 80 -7.338 7.665 1.023 1.00 0.00 C ATOM 1248 C LEU A 80 -5.844 7.717 1.315 1.00 0.00 C ATOM 1249 O LEU A 80 -5.159 8.694 1.020 1.00 0.00 O ATOM 1250 CB LEU A 80 -7.725 7.675 -0.493 1.00 0.00 C ATOM 1251 CG LEU A 80 -8.140 9.010 -1.162 1.00 0.00 C ATOM 1252 CD1 LEU A 80 -7.050 10.069 -1.107 1.00 0.00 C ATOM 1253 CD2 LEU A 80 -8.542 8.761 -2.601 1.00 0.00 C ATOM 0 H LEU A 80 -7.694 9.618 1.617 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.695 6.683 1.332 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.876 7.280 -1.050 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.548 6.973 -0.625 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.986 9.398 -0.595 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.402 10.979 -1.592 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.804 10.284 -0.067 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.162 9.704 -1.622 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.833 9.703 -3.066 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.700 8.332 -3.145 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.383 8.068 -2.629 1.00 0.00 H new ATOM 1265 N THR A 81 -5.381 6.692 1.959 1.00 0.00 N ATOM 1266 CA THR A 81 -4.037 6.612 2.442 1.00 0.00 C ATOM 1267 C THR A 81 -3.219 5.852 1.414 1.00 0.00 C ATOM 1268 O THR A 81 -3.593 4.731 1.014 1.00 0.00 O ATOM 1269 CB THR A 81 -4.047 5.876 3.789 1.00 0.00 C ATOM 1270 OG1 THR A 81 -5.107 6.405 4.608 1.00 0.00 O ATOM 1271 CG2 THR A 81 -2.739 6.018 4.537 1.00 0.00 C ATOM 0 H THR A 81 -5.941 5.866 2.169 1.00 0.00 H new ATOM 0 HA THR A 81 -3.602 7.600 2.589 1.00 0.00 H new ATOM 0 HB THR A 81 -4.199 4.817 3.580 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.119 5.937 5.469 1.00 0.00 H new ATOM 0 HG21 THR A 81 -2.800 5.479 5.482 1.00 0.00 H new ATOM 0 HG22 THR A 81 -1.929 5.605 3.935 1.00 0.00 H new ATOM 0 HG23 THR A 81 -2.544 7.072 4.733 1.00 0.00 H new ATOM 1279 N ASP A 82 -2.135 6.461 0.999 1.00 0.00 N ATOM 1280 CA ASP A 82 -1.311 5.989 -0.116 1.00 0.00 C ATOM 1281 C ASP A 82 -0.814 4.574 0.084 1.00 0.00 C ATOM 1282 O ASP A 82 -0.479 4.162 1.198 1.00 0.00 O ATOM 1283 CB ASP A 82 -0.111 6.913 -0.363 1.00 0.00 C ATOM 1284 CG ASP A 82 -0.489 8.365 -0.511 1.00 0.00 C ATOM 1285 OD1 ASP A 82 -1.041 8.763 -1.555 1.00 0.00 O ATOM 1286 OD2 ASP A 82 -0.217 9.148 0.423 1.00 0.00 O ATOM 0 H ASP A 82 -1.783 7.317 1.428 1.00 0.00 H new ATOM 0 HA ASP A 82 -1.964 6.002 -0.989 1.00 0.00 H new ATOM 0 HB2 ASP A 82 0.592 6.811 0.464 1.00 0.00 H new ATOM 0 HB3 ASP A 82 0.408 6.587 -1.264 1.00 0.00 H new ATOM 1291 N ALA A 83 -0.797 3.843 -0.992 1.00 0.00 N ATOM 1292 CA ALA A 83 -0.345 2.488 -1.037 1.00 0.00 C ATOM 1293 C ALA A 83 -0.016 2.197 -2.499 1.00 0.00 C ATOM 1294 O ALA A 83 0.435 3.108 -3.193 1.00 0.00 O ATOM 1295 CB ALA A 83 -1.432 1.552 -0.497 1.00 0.00 C ATOM 0 H ALA A 83 -1.111 4.191 -1.898 1.00 0.00 H new ATOM 0 HA ALA A 83 0.535 2.328 -0.414 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.077 0.522 -0.536 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.662 1.818 0.535 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.331 1.649 -1.106 1.00 0.00 H new ATOM 1301 N SER A 84 -0.277 0.969 -2.952 1.00 0.00 N ATOM 1302 CA SER A 84 -0.001 0.487 -4.313 1.00 0.00 C ATOM 1303 C SER A 84 1.396 -0.064 -4.437 1.00 0.00 C ATOM 1304 O SER A 84 2.386 0.601 -4.135 1.00 0.00 O ATOM 1305 CB SER A 84 -0.383 1.495 -5.423 1.00 0.00 C ATOM 1306 OG SER A 84 -1.779 1.807 -5.339 1.00 0.00 O ATOM 0 H SER A 84 -0.702 0.254 -2.362 1.00 0.00 H new ATOM 0 HA SER A 84 -0.675 -0.352 -4.486 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.209 2.405 -5.320 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.154 1.075 -6.402 1.00 0.00 H new ATOM 0 HG SER A 84 -2.075 1.732 -4.408 1.00 0.00 H new ATOM 1312 N TRP A 85 1.457 -1.296 -4.826 1.00 0.00 N ATOM 1313 CA TRP A 85 2.687 -2.009 -4.913 1.00 0.00 C ATOM 1314 C TRP A 85 3.146 -2.023 -6.334 1.00 0.00 C ATOM 1315 O TRP A 85 2.338 -2.231 -7.252 1.00 0.00 O ATOM 1316 CB TRP A 85 2.512 -3.433 -4.372 1.00 0.00 C ATOM 1317 CG TRP A 85 2.126 -3.469 -2.923 1.00 0.00 C ATOM 1318 CD1 TRP A 85 0.898 -3.765 -2.411 1.00 0.00 C ATOM 1319 CD2 TRP A 85 2.968 -3.170 -1.801 1.00 0.00 C ATOM 1320 NE1 TRP A 85 0.926 -3.690 -1.040 1.00 0.00 N ATOM 1321 CE2 TRP A 85 2.184 -3.321 -0.640 1.00 0.00 C ATOM 1322 CE3 TRP A 85 4.311 -2.794 -1.665 1.00 0.00 C ATOM 1323 CZ2 TRP A 85 2.697 -3.110 0.640 1.00 0.00 C ATOM 1324 CZ3 TRP A 85 4.816 -2.583 -0.397 1.00 0.00 C ATOM 1325 CH2 TRP A 85 4.012 -2.742 0.739 1.00 0.00 C ATOM 0 H TRP A 85 0.640 -1.843 -5.096 1.00 0.00 H new ATOM 0 HA TRP A 85 3.445 -1.514 -4.305 1.00 0.00 H new ATOM 0 HB2 TRP A 85 1.750 -3.947 -4.958 1.00 0.00 H new ATOM 0 HB3 TRP A 85 3.443 -3.984 -4.508 1.00 0.00 H new ATOM 0 HD1 TRP A 85 0.029 -4.021 -2.998 1.00 0.00 H new ATOM 0 HE1 TRP A 85 0.138 -3.878 -0.420 1.00 0.00 H new ATOM 0 HE3 TRP A 85 4.939 -2.672 -2.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 2.081 -3.232 1.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 5.849 -2.290 -0.279 1.00 0.00 H new ATOM 0 HH2 TRP A 85 4.439 -2.570 1.716 1.00 0.00 H new ATOM 1336 N TYR A 86 4.401 -1.742 -6.526 1.00 0.00 N ATOM 1337 CA TYR A 86 4.968 -1.703 -7.829 1.00 0.00 C ATOM 1338 C TYR A 86 6.092 -2.690 -7.910 1.00 0.00 C ATOM 1339 O TYR A 86 7.150 -2.517 -7.287 1.00 0.00 O ATOM 1340 CB TYR A 86 5.471 -0.293 -8.166 1.00 0.00 C ATOM 1341 CG TYR A 86 4.399 0.762 -8.048 1.00 0.00 C ATOM 1342 CD1 TYR A 86 3.514 1.001 -9.084 1.00 0.00 C ATOM 1343 CD2 TYR A 86 4.257 1.506 -6.886 1.00 0.00 C ATOM 1344 CE1 TYR A 86 2.532 1.938 -8.965 1.00 0.00 C ATOM 1345 CE2 TYR A 86 3.273 2.453 -6.770 1.00 0.00 C ATOM 1346 CZ TYR A 86 2.416 2.661 -7.812 1.00 0.00 C ATOM 1347 OH TYR A 86 1.422 3.584 -7.701 1.00 0.00 O ATOM 0 H TYR A 86 5.059 -1.533 -5.775 1.00 0.00 H new ATOM 0 HA TYR A 86 4.200 -1.966 -8.556 1.00 0.00 H new ATOM 0 HB2 TYR A 86 6.296 -0.040 -7.501 1.00 0.00 H new ATOM 0 HB3 TYR A 86 5.867 -0.288 -9.182 1.00 0.00 H new ATOM 0 HD1 TYR A 86 3.603 0.437 -10.001 1.00 0.00 H new ATOM 0 HD2 TYR A 86 4.932 1.337 -6.060 1.00 0.00 H new ATOM 0 HE1 TYR A 86 1.846 2.109 -9.782 1.00 0.00 H new ATOM 0 HE2 TYR A 86 3.176 3.030 -5.862 1.00 0.00 H new ATOM 0 HH TYR A 86 1.767 4.384 -7.251 1.00 0.00 H new ATOM 1357 N THR A 87 5.854 -3.738 -8.611 1.00 0.00 N ATOM 1358 CA THR A 87 6.826 -4.715 -8.843 1.00 0.00 C ATOM 1359 C THR A 87 7.545 -4.318 -10.105 1.00 0.00 C ATOM 1360 O THR A 87 6.983 -4.375 -11.195 1.00 0.00 O ATOM 1361 CB THR A 87 6.175 -6.089 -8.997 1.00 0.00 C ATOM 1362 OG1 THR A 87 5.334 -6.347 -7.853 1.00 0.00 O ATOM 1363 CG2 THR A 87 7.230 -7.165 -9.087 1.00 0.00 C ATOM 0 H THR A 87 4.952 -3.935 -9.045 1.00 0.00 H new ATOM 0 HA THR A 87 7.522 -4.784 -8.007 1.00 0.00 H new ATOM 0 HB THR A 87 5.581 -6.097 -9.911 1.00 0.00 H new ATOM 0 HG1 THR A 87 4.913 -7.227 -7.948 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.750 -8.137 -9.196 1.00 0.00 H new ATOM 0 HG22 THR A 87 7.869 -6.977 -9.950 1.00 0.00 H new ATOM 0 HG23 THR A 87 7.834 -7.159 -8.180 1.00 0.00 H new ATOM 1371 N VAL A 88 8.731 -3.853 -9.950 1.00 0.00 N ATOM 1372 CA VAL A 88 9.510 -3.375 -11.043 1.00 0.00 C ATOM 1373 C VAL A 88 10.594 -4.366 -11.381 1.00 0.00 C ATOM 1374 O VAL A 88 11.184 -4.983 -10.498 1.00 0.00 O ATOM 1375 CB VAL A 88 10.100 -1.971 -10.758 1.00 0.00 C ATOM 1376 CG1 VAL A 88 9.012 -0.933 -10.738 1.00 0.00 C ATOM 1377 CG2 VAL A 88 10.822 -1.954 -9.439 1.00 0.00 C ATOM 0 H VAL A 88 9.200 -3.791 -9.046 1.00 0.00 H new ATOM 0 HA VAL A 88 8.853 -3.272 -11.906 1.00 0.00 H new ATOM 0 HB VAL A 88 10.805 -1.740 -11.556 1.00 0.00 H new ATOM 0 HG11 VAL A 88 9.447 0.046 -10.536 1.00 0.00 H new ATOM 0 HG12 VAL A 88 8.509 -0.914 -11.705 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.291 -1.177 -9.958 1.00 0.00 H new ATOM 0 HG21 VAL A 88 11.228 -0.959 -9.259 1.00 0.00 H new ATOM 0 HG22 VAL A 88 10.127 -2.212 -8.640 1.00 0.00 H new ATOM 0 HG23 VAL A 88 11.635 -2.679 -9.460 1.00 0.00 H new ATOM 1387 N VAL A 89 10.834 -4.511 -12.638 1.00 0.00 N ATOM 1388 CA VAL A 89 11.751 -5.486 -13.149 1.00 0.00 C ATOM 1389 C VAL A 89 12.967 -4.808 -13.734 1.00 0.00 C ATOM 1390 O VAL A 89 12.869 -3.764 -14.386 1.00 0.00 O ATOM 1391 CB VAL A 89 11.069 -6.416 -14.216 1.00 0.00 C ATOM 1392 CG1 VAL A 89 10.662 -5.673 -15.489 1.00 0.00 C ATOM 1393 CG2 VAL A 89 11.919 -7.638 -14.540 1.00 0.00 C ATOM 0 H VAL A 89 10.391 -3.945 -13.361 1.00 0.00 H new ATOM 0 HA VAL A 89 12.066 -6.116 -12.317 1.00 0.00 H new ATOM 0 HB VAL A 89 10.147 -6.766 -13.751 1.00 0.00 H new ATOM 0 HG11 VAL A 89 10.197 -6.371 -16.185 1.00 0.00 H new ATOM 0 HG12 VAL A 89 9.953 -4.884 -15.239 1.00 0.00 H new ATOM 0 HG13 VAL A 89 11.545 -5.233 -15.952 1.00 0.00 H new ATOM 0 HG21 VAL A 89 11.407 -8.251 -15.282 1.00 0.00 H new ATOM 0 HG22 VAL A 89 12.882 -7.317 -14.937 1.00 0.00 H new ATOM 0 HG23 VAL A 89 12.077 -8.222 -13.633 1.00 0.00 H new ATOM 1403 N PHE A 90 14.091 -5.366 -13.456 1.00 0.00 N ATOM 1404 CA PHE A 90 15.335 -4.891 -13.974 1.00 0.00 C ATOM 1405 C PHE A 90 15.640 -5.676 -15.227 1.00 0.00 C ATOM 1406 O PHE A 90 15.065 -6.749 -15.432 1.00 0.00 O ATOM 1407 CB PHE A 90 16.441 -5.098 -12.936 1.00 0.00 C ATOM 1408 CG PHE A 90 16.164 -4.411 -11.635 1.00 0.00 C ATOM 1409 CD1 PHE A 90 16.362 -3.057 -11.508 1.00 0.00 C ATOM 1410 CD2 PHE A 90 15.700 -5.122 -10.539 1.00 0.00 C ATOM 1411 CE1 PHE A 90 16.099 -2.415 -10.323 1.00 0.00 C ATOM 1412 CE2 PHE A 90 15.437 -4.486 -9.349 1.00 0.00 C ATOM 1413 CZ PHE A 90 15.639 -3.130 -9.243 1.00 0.00 C ATOM 0 H PHE A 90 14.179 -6.182 -12.851 1.00 0.00 H new ATOM 0 HA PHE A 90 15.277 -3.826 -14.201 1.00 0.00 H new ATOM 0 HB2 PHE A 90 16.567 -6.166 -12.756 1.00 0.00 H new ATOM 0 HB3 PHE A 90 17.384 -4.730 -13.341 1.00 0.00 H new ATOM 0 HD1 PHE A 90 16.729 -2.491 -12.351 1.00 0.00 H new ATOM 0 HD2 PHE A 90 15.543 -6.187 -10.621 1.00 0.00 H new ATOM 0 HE1 PHE A 90 16.253 -1.349 -10.240 1.00 0.00 H new ATOM 0 HE2 PHE A 90 15.074 -5.048 -8.502 1.00 0.00 H new ATOM 0 HZ PHE A 90 15.436 -2.626 -8.310 1.00 0.00 H new ATOM 1423 N ASP A 91 16.559 -5.184 -16.036 1.00 0.00 N ATOM 1424 CA ASP A 91 16.937 -5.845 -17.307 1.00 0.00 C ATOM 1425 C ASP A 91 17.463 -7.262 -17.068 1.00 0.00 C ATOM 1426 O ASP A 91 17.341 -8.149 -17.917 1.00 0.00 O ATOM 1427 CB ASP A 91 17.985 -5.018 -18.055 1.00 0.00 C ATOM 1428 CG ASP A 91 18.472 -5.695 -19.323 1.00 0.00 C ATOM 1429 OD1 ASP A 91 17.770 -5.628 -20.374 1.00 0.00 O ATOM 1430 OD2 ASP A 91 19.554 -6.305 -19.298 1.00 0.00 O ATOM 0 H ASP A 91 17.071 -4.322 -15.848 1.00 0.00 H new ATOM 0 HA ASP A 91 16.037 -5.915 -17.918 1.00 0.00 H new ATOM 0 HB2 ASP A 91 17.562 -4.046 -18.307 1.00 0.00 H new ATOM 0 HB3 ASP A 91 18.834 -4.835 -17.397 1.00 0.00 H new ATOM 1435 N ASP A 92 18.008 -7.469 -15.883 1.00 0.00 N ATOM 1436 CA ASP A 92 18.535 -8.769 -15.451 1.00 0.00 C ATOM 1437 C ASP A 92 17.405 -9.810 -15.320 1.00 0.00 C ATOM 1438 O ASP A 92 17.648 -11.017 -15.299 1.00 0.00 O ATOM 1439 CB ASP A 92 19.229 -8.599 -14.096 1.00 0.00 C ATOM 1440 CG ASP A 92 19.962 -9.834 -13.640 1.00 0.00 C ATOM 1441 OD1 ASP A 92 21.145 -9.991 -14.000 1.00 0.00 O ATOM 1442 OD2 ASP A 92 19.400 -10.657 -12.897 1.00 0.00 O ATOM 0 H ASP A 92 18.102 -6.737 -15.179 1.00 0.00 H new ATOM 0 HA ASP A 92 19.243 -9.125 -16.199 1.00 0.00 H new ATOM 0 HB2 ASP A 92 19.934 -7.770 -14.159 1.00 0.00 H new ATOM 0 HB3 ASP A 92 18.485 -8.329 -13.346 1.00 0.00 H new ATOM 1447 N GLY A 93 16.178 -9.334 -15.257 1.00 0.00 N ATOM 1448 CA GLY A 93 15.045 -10.212 -15.135 1.00 0.00 C ATOM 1449 C GLY A 93 14.584 -10.328 -13.707 1.00 0.00 C ATOM 1450 O GLY A 93 13.667 -11.089 -13.396 1.00 0.00 O ATOM 0 H GLY A 93 15.946 -8.341 -15.289 1.00 0.00 H new ATOM 0 HA2 GLY A 93 14.228 -9.840 -15.753 1.00 0.00 H new ATOM 0 HA3 GLY A 93 15.307 -11.200 -15.515 1.00 0.00 H new ATOM 1454 N ASP A 94 15.236 -9.607 -12.834 1.00 0.00 N ATOM 1455 CA ASP A 94 14.878 -9.613 -11.425 1.00 0.00 C ATOM 1456 C ASP A 94 13.829 -8.577 -11.195 1.00 0.00 C ATOM 1457 O ASP A 94 13.906 -7.489 -11.757 1.00 0.00 O ATOM 1458 CB ASP A 94 16.084 -9.303 -10.553 1.00 0.00 C ATOM 1459 CG ASP A 94 15.782 -9.369 -9.070 1.00 0.00 C ATOM 1460 OD1 ASP A 94 15.683 -10.488 -8.530 1.00 0.00 O ATOM 1461 OD2 ASP A 94 15.689 -8.319 -8.409 1.00 0.00 O ATOM 0 H ASP A 94 16.023 -9.002 -13.067 1.00 0.00 H new ATOM 0 HA ASP A 94 14.508 -10.604 -11.160 1.00 0.00 H new ATOM 0 HB2 ASP A 94 16.883 -10.007 -10.786 1.00 0.00 H new ATOM 0 HB3 ASP A 94 16.455 -8.308 -10.798 1.00 0.00 H new ATOM 1466 N GLU A 95 12.860 -8.902 -10.412 1.00 0.00 N ATOM 1467 CA GLU A 95 11.799 -7.991 -10.133 1.00 0.00 C ATOM 1468 C GLU A 95 11.625 -7.799 -8.640 1.00 0.00 C ATOM 1469 O GLU A 95 11.631 -8.760 -7.860 1.00 0.00 O ATOM 1470 CB GLU A 95 10.507 -8.407 -10.843 1.00 0.00 C ATOM 1471 CG GLU A 95 9.993 -9.788 -10.499 1.00 0.00 C ATOM 1472 CD GLU A 95 8.816 -10.184 -11.348 1.00 0.00 C ATOM 1473 OE1 GLU A 95 9.022 -10.754 -12.445 1.00 0.00 O ATOM 1474 OE2 GLU A 95 7.674 -9.941 -10.946 1.00 0.00 O ATOM 0 H GLU A 95 12.778 -9.806 -9.946 1.00 0.00 H new ATOM 0 HA GLU A 95 12.066 -7.015 -10.539 1.00 0.00 H new ATOM 0 HB2 GLU A 95 9.731 -7.679 -10.605 1.00 0.00 H new ATOM 0 HB3 GLU A 95 10.672 -8.357 -11.919 1.00 0.00 H new ATOM 0 HG2 GLU A 95 10.794 -10.515 -10.630 1.00 0.00 H new ATOM 0 HG3 GLU A 95 9.706 -9.816 -9.448 1.00 0.00 H new ATOM 1481 N ARG A 96 11.496 -6.566 -8.250 1.00 0.00 N ATOM 1482 CA ARG A 96 11.396 -6.190 -6.865 1.00 0.00 C ATOM 1483 C ARG A 96 10.092 -5.447 -6.647 1.00 0.00 C ATOM 1484 O ARG A 96 9.672 -4.686 -7.506 1.00 0.00 O ATOM 1485 CB ARG A 96 12.557 -5.276 -6.508 1.00 0.00 C ATOM 1486 CG ARG A 96 13.418 -5.755 -5.356 1.00 0.00 C ATOM 1487 CD ARG A 96 14.175 -7.025 -5.705 1.00 0.00 C ATOM 1488 NE ARG A 96 15.065 -7.429 -4.611 1.00 0.00 N ATOM 1489 CZ ARG A 96 15.995 -8.390 -4.682 1.00 0.00 C ATOM 1490 NH1 ARG A 96 16.253 -8.999 -5.840 1.00 0.00 N ATOM 1491 NH2 ARG A 96 16.706 -8.697 -3.602 1.00 0.00 N ATOM 0 H ARG A 96 11.456 -5.776 -8.895 1.00 0.00 H new ATOM 0 HA ARG A 96 11.425 -7.081 -6.238 1.00 0.00 H new ATOM 0 HB2 ARG A 96 13.189 -5.155 -7.388 1.00 0.00 H new ATOM 0 HB3 ARG A 96 12.162 -4.291 -6.261 1.00 0.00 H new ATOM 0 HG2 ARG A 96 14.127 -4.973 -5.083 1.00 0.00 H new ATOM 0 HG3 ARG A 96 12.790 -5.935 -4.483 1.00 0.00 H new ATOM 0 HD2 ARG A 96 13.468 -7.827 -5.917 1.00 0.00 H new ATOM 0 HD3 ARG A 96 14.758 -6.866 -6.612 1.00 0.00 H new ATOM 0 HE ARG A 96 14.967 -6.937 -3.723 1.00 0.00 H new ATOM 0 HH11 ARG A 96 15.740 -8.734 -6.681 1.00 0.00 H new ATOM 0 HH12 ARG A 96 16.963 -9.730 -5.885 1.00 0.00 H new ATOM 0 HH21 ARG A 96 16.542 -8.202 -2.726 1.00 0.00 H new ATOM 0 HH22 ARG A 96 17.416 -9.428 -3.650 1.00 0.00 H new ATOM 1505 N THR A 97 9.454 -5.667 -5.529 1.00 0.00 N ATOM 1506 CA THR A 97 8.217 -5.010 -5.232 1.00 0.00 C ATOM 1507 C THR A 97 8.433 -3.900 -4.194 1.00 0.00 C ATOM 1508 O THR A 97 8.740 -4.173 -3.030 1.00 0.00 O ATOM 1509 CB THR A 97 7.191 -6.036 -4.731 1.00 0.00 C ATOM 1510 OG1 THR A 97 7.075 -7.098 -5.712 1.00 0.00 O ATOM 1511 CG2 THR A 97 5.835 -5.391 -4.529 1.00 0.00 C ATOM 0 H THR A 97 9.779 -6.305 -4.803 1.00 0.00 H new ATOM 0 HA THR A 97 7.832 -4.548 -6.141 1.00 0.00 H new ATOM 0 HB THR A 97 7.528 -6.434 -3.774 1.00 0.00 H new ATOM 0 HG1 THR A 97 6.473 -6.814 -6.431 1.00 0.00 H new ATOM 0 HG21 THR A 97 5.126 -6.139 -4.174 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.918 -4.591 -3.793 1.00 0.00 H new ATOM 0 HG23 THR A 97 5.484 -4.978 -5.475 1.00 0.00 H new ATOM 1519 N LEU A 98 8.308 -2.671 -4.629 1.00 0.00 N ATOM 1520 CA LEU A 98 8.485 -1.526 -3.762 1.00 0.00 C ATOM 1521 C LEU A 98 7.363 -0.523 -3.938 1.00 0.00 C ATOM 1522 O LEU A 98 6.525 -0.672 -4.830 1.00 0.00 O ATOM 1523 CB LEU A 98 9.905 -0.857 -3.877 1.00 0.00 C ATOM 1524 CG LEU A 98 10.518 -0.570 -5.267 1.00 0.00 C ATOM 1525 CD1 LEU A 98 11.702 0.329 -5.090 1.00 0.00 C ATOM 1526 CD2 LEU A 98 10.999 -1.849 -5.920 1.00 0.00 C ATOM 0 H LEU A 98 8.081 -2.433 -5.594 1.00 0.00 H new ATOM 0 HA LEU A 98 8.434 -1.908 -2.743 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.860 0.091 -3.341 1.00 0.00 H new ATOM 0 HB3 LEU A 98 10.607 -1.494 -3.339 1.00 0.00 H new ATOM 0 HG LEU A 98 9.755 -0.110 -5.895 1.00 0.00 H new ATOM 0 HD11 LEU A 98 12.146 0.541 -6.062 1.00 0.00 H new ATOM 0 HD12 LEU A 98 11.384 1.262 -4.625 1.00 0.00 H new ATOM 0 HD13 LEU A 98 12.439 -0.161 -4.454 1.00 0.00 H new ATOM 0 HD21 LEU A 98 11.426 -1.621 -6.897 1.00 0.00 H new ATOM 0 HD22 LEU A 98 11.758 -2.315 -5.292 1.00 0.00 H new ATOM 0 HD23 LEU A 98 10.159 -2.533 -6.042 1.00 0.00 H new ATOM 1538 N ARG A 99 7.318 0.455 -3.067 1.00 0.00 N ATOM 1539 CA ARG A 99 6.283 1.467 -3.103 1.00 0.00 C ATOM 1540 C ARG A 99 6.821 2.721 -3.791 1.00 0.00 C ATOM 1541 O ARG A 99 8.032 2.829 -4.021 1.00 0.00 O ATOM 1542 CB ARG A 99 5.798 1.776 -1.667 1.00 0.00 C ATOM 1543 CG ARG A 99 6.795 2.528 -0.797 1.00 0.00 C ATOM 1544 CD ARG A 99 6.376 2.516 0.666 1.00 0.00 C ATOM 1545 NE ARG A 99 7.280 3.318 1.505 1.00 0.00 N ATOM 1546 CZ ARG A 99 8.424 2.886 2.077 1.00 0.00 C ATOM 1547 NH1 ARG A 99 8.868 1.650 1.864 1.00 0.00 N ATOM 1548 NH2 ARG A 99 9.116 3.706 2.854 1.00 0.00 N ATOM 0 H ARG A 99 7.995 0.575 -2.313 1.00 0.00 H new ATOM 0 HA ARG A 99 5.429 1.102 -3.673 1.00 0.00 H new ATOM 0 HB2 ARG A 99 4.880 2.360 -1.728 1.00 0.00 H new ATOM 0 HB3 ARG A 99 5.546 0.836 -1.175 1.00 0.00 H new ATOM 0 HG2 ARG A 99 7.782 2.076 -0.898 1.00 0.00 H new ATOM 0 HG3 ARG A 99 6.879 3.558 -1.144 1.00 0.00 H new ATOM 0 HD2 ARG A 99 5.361 2.902 0.755 1.00 0.00 H new ATOM 0 HD3 ARG A 99 6.360 1.489 1.030 1.00 0.00 H new ATOM 0 HE ARG A 99 7.018 4.290 1.670 1.00 0.00 H new ATOM 0 HH11 ARG A 99 8.342 1.016 1.262 1.00 0.00 H new ATOM 0 HH12 ARG A 99 9.734 1.337 2.302 1.00 0.00 H new ATOM 0 HH21 ARG A 99 8.783 4.656 3.017 1.00 0.00 H new ATOM 0 HH22 ARG A 99 9.981 3.387 3.290 1.00 0.00 H new ATOM 1562 N ARG A 100 5.938 3.670 -4.075 1.00 0.00 N ATOM 1563 CA ARG A 100 6.278 4.917 -4.771 1.00 0.00 C ATOM 1564 C ARG A 100 7.356 5.712 -4.027 1.00 0.00 C ATOM 1565 O ARG A 100 8.177 6.371 -4.635 1.00 0.00 O ATOM 1566 CB ARG A 100 5.026 5.786 -4.954 1.00 0.00 C ATOM 1567 CG ARG A 100 5.299 7.102 -5.662 1.00 0.00 C ATOM 1568 CD ARG A 100 4.081 7.991 -5.700 1.00 0.00 C ATOM 1569 NE ARG A 100 4.388 9.282 -6.322 1.00 0.00 N ATOM 1570 CZ ARG A 100 3.877 10.467 -5.958 1.00 0.00 C ATOM 1571 NH1 ARG A 100 3.011 10.561 -4.949 1.00 0.00 N ATOM 1572 NH2 ARG A 100 4.238 11.560 -6.599 1.00 0.00 N ATOM 0 H ARG A 100 4.951 3.600 -3.828 1.00 0.00 H new ATOM 0 HA ARG A 100 6.677 4.643 -5.748 1.00 0.00 H new ATOM 0 HB2 ARG A 100 4.284 5.225 -5.521 1.00 0.00 H new ATOM 0 HB3 ARG A 100 4.591 5.992 -3.976 1.00 0.00 H new ATOM 0 HG2 ARG A 100 6.112 7.623 -5.156 1.00 0.00 H new ATOM 0 HG3 ARG A 100 5.633 6.903 -6.680 1.00 0.00 H new ATOM 0 HD2 ARG A 100 3.284 7.497 -6.255 1.00 0.00 H new ATOM 0 HD3 ARG A 100 3.712 8.151 -4.687 1.00 0.00 H new ATOM 0 HE ARG A 100 5.048 9.279 -7.100 1.00 0.00 H new ATOM 0 HH11 ARG A 100 2.727 9.723 -4.441 1.00 0.00 H new ATOM 0 HH12 ARG A 100 2.632 11.471 -4.685 1.00 0.00 H new ATOM 0 HH21 ARG A 100 4.904 11.503 -7.369 1.00 0.00 H new ATOM 0 HH22 ARG A 100 3.851 12.463 -6.325 1.00 0.00 H new ATOM 1586 N THR A 101 7.366 5.600 -2.721 1.00 0.00 N ATOM 1587 CA THR A 101 8.307 6.320 -1.884 1.00 0.00 C ATOM 1588 C THR A 101 9.750 5.759 -2.037 1.00 0.00 C ATOM 1589 O THR A 101 10.723 6.337 -1.542 1.00 0.00 O ATOM 1590 CB THR A 101 7.838 6.211 -0.434 1.00 0.00 C ATOM 1591 OG1 THR A 101 6.390 6.302 -0.433 1.00 0.00 O ATOM 1592 CG2 THR A 101 8.406 7.359 0.399 1.00 0.00 C ATOM 0 H THR A 101 6.720 5.005 -2.202 1.00 0.00 H new ATOM 0 HA THR A 101 8.339 7.365 -2.192 1.00 0.00 H new ATOM 0 HB THR A 101 8.178 5.268 -0.005 1.00 0.00 H new ATOM 0 HG1 THR A 101 6.059 6.233 0.487 1.00 0.00 H new ATOM 0 HG21 THR A 101 8.062 7.266 1.429 1.00 0.00 H new ATOM 0 HG22 THR A 101 9.495 7.322 0.375 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.067 8.310 -0.012 1.00 0.00 H new ATOM 1600 N SER A 102 9.881 4.641 -2.721 1.00 0.00 N ATOM 1601 CA SER A 102 11.161 4.080 -2.970 1.00 0.00 C ATOM 1602 C SER A 102 11.499 4.251 -4.465 1.00 0.00 C ATOM 1603 O SER A 102 12.580 3.857 -4.929 1.00 0.00 O ATOM 1604 CB SER A 102 11.131 2.613 -2.569 1.00 0.00 C ATOM 1605 OG SER A 102 10.697 2.457 -1.215 1.00 0.00 O ATOM 0 H SER A 102 9.101 4.112 -3.110 1.00 0.00 H new ATOM 0 HA SER A 102 11.932 4.584 -2.387 1.00 0.00 H new ATOM 0 HB2 SER A 102 10.463 2.065 -3.233 1.00 0.00 H new ATOM 0 HB3 SER A 102 12.124 2.180 -2.688 1.00 0.00 H new ATOM 0 HG SER A 102 10.685 1.505 -0.983 1.00 0.00 H new ATOM 1611 N LEU A 103 10.580 4.885 -5.192 1.00 0.00 N ATOM 1612 CA LEU A 103 10.710 5.091 -6.617 1.00 0.00 C ATOM 1613 C LEU A 103 11.019 6.544 -6.898 1.00 0.00 C ATOM 1614 O LEU A 103 10.320 7.436 -6.430 1.00 0.00 O ATOM 1615 CB LEU A 103 9.424 4.689 -7.357 1.00 0.00 C ATOM 1616 CG LEU A 103 8.982 3.226 -7.230 1.00 0.00 C ATOM 1617 CD1 LEU A 103 7.693 2.994 -7.999 1.00 0.00 C ATOM 1618 CD2 LEU A 103 10.071 2.290 -7.724 1.00 0.00 C ATOM 0 H LEU A 103 9.722 5.269 -4.797 1.00 0.00 H new ATOM 0 HA LEU A 103 11.525 4.462 -6.976 1.00 0.00 H new ATOM 0 HB2 LEU A 103 8.613 5.322 -6.997 1.00 0.00 H new ATOM 0 HB3 LEU A 103 9.557 4.913 -8.415 1.00 0.00 H new ATOM 0 HG LEU A 103 8.802 3.013 -6.176 1.00 0.00 H new ATOM 0 HD11 LEU A 103 7.392 1.951 -7.899 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.910 3.637 -7.599 1.00 0.00 H new ATOM 0 HD13 LEU A 103 7.851 3.227 -9.052 1.00 0.00 H new ATOM 0 HD21 LEU A 103 9.736 1.258 -7.625 1.00 0.00 H new ATOM 0 HD22 LEU A 103 10.286 2.503 -8.771 1.00 0.00 H new ATOM 0 HD23 LEU A 103 10.974 2.437 -7.131 1.00 0.00 H new ATOM 1630 N CYS A 104 12.041 6.765 -7.681 1.00 0.00 N ATOM 1631 CA CYS A 104 12.496 8.100 -7.994 1.00 0.00 C ATOM 1632 C CYS A 104 11.491 8.795 -8.923 1.00 0.00 C ATOM 1633 O CYS A 104 10.984 9.868 -8.599 1.00 0.00 O ATOM 1634 CB CYS A 104 13.889 8.032 -8.620 1.00 0.00 C ATOM 1635 SG CYS A 104 14.761 9.600 -8.722 1.00 0.00 S ATOM 0 H CYS A 104 12.585 6.024 -8.123 1.00 0.00 H new ATOM 0 HA CYS A 104 12.563 8.691 -7.080 1.00 0.00 H new ATOM 0 HB2 CYS A 104 14.495 7.334 -8.042 1.00 0.00 H new ATOM 0 HB3 CYS A 104 13.798 7.619 -9.625 1.00 0.00 H new ATOM 0 HG CYS A 104 14.668 10.071 -9.930 1.00 0.00 H new ATOM 1641 N LEU A 105 11.205 8.147 -10.072 1.00 0.00 N ATOM 1642 CA LEU A 105 10.201 8.612 -11.051 1.00 0.00 C ATOM 1643 C LEU A 105 10.646 9.933 -11.755 1.00 0.00 C ATOM 1644 O LEU A 105 11.727 10.464 -11.477 1.00 0.00 O ATOM 1645 CB LEU A 105 8.803 8.741 -10.356 1.00 0.00 C ATOM 1646 CG LEU A 105 7.589 9.128 -11.215 1.00 0.00 C ATOM 1647 CD1 LEU A 105 7.314 8.086 -12.291 1.00 0.00 C ATOM 1648 CD2 LEU A 105 6.368 9.321 -10.336 1.00 0.00 C ATOM 0 H LEU A 105 11.668 7.281 -10.348 1.00 0.00 H new ATOM 0 HA LEU A 105 10.114 7.870 -11.844 1.00 0.00 H new ATOM 0 HB2 LEU A 105 8.581 7.786 -9.879 1.00 0.00 H new ATOM 0 HB3 LEU A 105 8.895 9.481 -9.561 1.00 0.00 H new ATOM 0 HG LEU A 105 7.816 10.068 -11.717 1.00 0.00 H new ATOM 0 HD11 LEU A 105 6.449 8.391 -12.880 1.00 0.00 H new ATOM 0 HD12 LEU A 105 8.184 7.997 -12.942 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.112 7.123 -11.822 1.00 0.00 H new ATOM 0 HD21 LEU A 105 5.514 9.595 -10.955 1.00 0.00 H new ATOM 0 HD22 LEU A 105 6.150 8.393 -9.807 1.00 0.00 H new ATOM 0 HD23 LEU A 105 6.562 10.114 -9.613 1.00 0.00 H new ATOM 1660 N LYS A 106 9.857 10.360 -12.758 1.00 0.00 N ATOM 1661 CA LYS A 106 10.021 11.628 -13.503 1.00 0.00 C ATOM 1662 C LYS A 106 11.189 11.585 -14.517 1.00 0.00 C ATOM 1663 O LYS A 106 11.212 12.339 -15.493 1.00 0.00 O ATOM 1664 CB LYS A 106 10.133 12.841 -12.529 1.00 0.00 C ATOM 1665 CG LYS A 106 10.215 14.216 -13.195 1.00 0.00 C ATOM 1666 CD LYS A 106 8.987 14.497 -14.053 1.00 0.00 C ATOM 1667 CE LYS A 106 9.057 15.866 -14.710 1.00 0.00 C ATOM 1668 NZ LYS A 106 10.254 16.016 -15.572 1.00 0.00 N ATOM 0 H LYS A 106 9.059 9.815 -13.086 1.00 0.00 H new ATOM 0 HA LYS A 106 9.118 11.763 -14.099 1.00 0.00 H new ATOM 0 HB2 LYS A 106 9.270 12.830 -11.863 1.00 0.00 H new ATOM 0 HB3 LYS A 106 11.018 12.705 -11.907 1.00 0.00 H new ATOM 0 HG2 LYS A 106 10.309 14.987 -12.430 1.00 0.00 H new ATOM 0 HG3 LYS A 106 11.111 14.269 -13.813 1.00 0.00 H new ATOM 0 HD2 LYS A 106 8.898 13.729 -14.822 1.00 0.00 H new ATOM 0 HD3 LYS A 106 8.091 14.436 -13.436 1.00 0.00 H new ATOM 0 HE2 LYS A 106 8.159 16.026 -15.307 1.00 0.00 H new ATOM 0 HE3 LYS A 106 9.068 16.636 -13.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 10.159 16.874 -16.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 11.103 16.093 -14.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 10.341 15.186 -16.193 1.00 0.00 H new ATOM 1682 N GLY A 107 12.108 10.678 -14.316 1.00 0.00 N ATOM 1683 CA GLY A 107 13.286 10.607 -15.149 1.00 0.00 C ATOM 1684 C GLY A 107 14.425 11.319 -14.470 1.00 0.00 C ATOM 1685 O GLY A 107 15.539 11.423 -15.003 1.00 0.00 O ATOM 0 H GLY A 107 12.066 9.973 -13.580 1.00 0.00 H new ATOM 0 HA2 GLY A 107 13.552 9.566 -15.333 1.00 0.00 H new ATOM 0 HA3 GLY A 107 13.086 11.061 -16.119 1.00 0.00 H new ATOM 1689 N GLU A 108 14.133 11.803 -13.289 1.00 0.00 N ATOM 1690 CA GLU A 108 15.069 12.505 -12.462 1.00 0.00 C ATOM 1691 C GLU A 108 15.790 11.415 -11.672 1.00 0.00 C ATOM 1692 O GLU A 108 15.233 10.326 -11.486 1.00 0.00 O ATOM 1693 CB GLU A 108 14.251 13.449 -11.535 1.00 0.00 C ATOM 1694 CG GLU A 108 14.998 14.624 -10.881 1.00 0.00 C ATOM 1695 CD GLU A 108 16.092 14.225 -9.930 1.00 0.00 C ATOM 1696 OE1 GLU A 108 15.824 13.500 -8.957 1.00 0.00 O ATOM 1697 OE2 GLU A 108 17.276 14.622 -10.153 1.00 0.00 O ATOM 0 H GLU A 108 13.208 11.714 -12.868 1.00 0.00 H new ATOM 0 HA GLU A 108 15.790 13.113 -13.008 1.00 0.00 H new ATOM 0 HB2 GLU A 108 13.424 13.858 -12.116 1.00 0.00 H new ATOM 0 HB3 GLU A 108 13.814 12.844 -10.740 1.00 0.00 H new ATOM 0 HG2 GLU A 108 15.428 15.245 -11.667 1.00 0.00 H new ATOM 0 HG3 GLU A 108 14.277 15.241 -10.345 1.00 0.00 H new ATOM 1704 N ARG A 109 16.994 11.662 -11.250 1.00 0.00 N ATOM 1705 CA ARG A 109 17.730 10.680 -10.523 1.00 0.00 C ATOM 1706 C ARG A 109 18.397 11.292 -9.297 1.00 0.00 C ATOM 1707 O ARG A 109 19.509 11.827 -9.379 1.00 0.00 O ATOM 1708 CB ARG A 109 18.752 9.985 -11.419 1.00 0.00 C ATOM 1709 CG ARG A 109 19.467 8.814 -10.760 1.00 0.00 C ATOM 1710 CD ARG A 109 20.493 8.223 -11.698 1.00 0.00 C ATOM 1711 NE ARG A 109 21.531 9.200 -12.035 1.00 0.00 N ATOM 1712 CZ ARG A 109 22.179 9.272 -13.196 1.00 0.00 C ATOM 1713 NH1 ARG A 109 21.853 8.456 -14.211 1.00 0.00 N ATOM 1714 NH2 ARG A 109 23.145 10.173 -13.346 1.00 0.00 N ATOM 0 H ARG A 109 17.487 12.542 -11.400 1.00 0.00 H new ATOM 0 HA ARG A 109 17.026 9.924 -10.175 1.00 0.00 H new ATOM 0 HB2 ARG A 109 18.248 9.629 -12.317 1.00 0.00 H new ATOM 0 HB3 ARG A 109 19.495 10.716 -11.739 1.00 0.00 H new ATOM 0 HG2 ARG A 109 19.953 9.147 -9.843 1.00 0.00 H new ATOM 0 HG3 ARG A 109 18.742 8.051 -10.477 1.00 0.00 H new ATOM 0 HD2 ARG A 109 20.950 7.348 -11.236 1.00 0.00 H new ATOM 0 HD3 ARG A 109 20.002 7.882 -12.609 1.00 0.00 H new ATOM 0 HE ARG A 109 21.779 9.883 -11.319 1.00 0.00 H new ATOM 0 HH11 ARG A 109 21.103 7.774 -14.096 1.00 0.00 H new ATOM 0 HH12 ARG A 109 22.355 8.518 -15.097 1.00 0.00 H new ATOM 0 HH21 ARG A 109 23.382 10.799 -12.577 1.00 0.00 H new ATOM 0 HH22 ARG A 109 23.649 10.238 -14.230 1.00 0.00 H new ATOM 1728 N HIS A 110 17.642 11.312 -8.217 1.00 0.00 N ATOM 1729 CA HIS A 110 18.083 11.689 -6.875 1.00 0.00 C ATOM 1730 C HIS A 110 16.861 11.687 -5.982 1.00 0.00 C ATOM 1731 O HIS A 110 16.965 11.478 -4.763 1.00 0.00 O ATOM 1732 CB HIS A 110 18.881 13.047 -6.783 1.00 0.00 C ATOM 1733 CG HIS A 110 18.115 14.322 -6.511 1.00 0.00 C ATOM 1734 ND1 HIS A 110 17.660 15.152 -7.489 1.00 0.00 N ATOM 1735 CD2 HIS A 110 17.817 14.939 -5.341 1.00 0.00 C ATOM 1736 CE1 HIS A 110 17.132 16.222 -6.950 1.00 0.00 C ATOM 1737 NE2 HIS A 110 17.211 16.120 -5.646 1.00 0.00 N ATOM 0 H HIS A 110 16.655 11.055 -8.245 1.00 0.00 H new ATOM 0 HA HIS A 110 18.819 10.955 -6.546 1.00 0.00 H new ATOM 0 HB2 HIS A 110 19.630 12.938 -5.999 1.00 0.00 H new ATOM 0 HB3 HIS A 110 19.419 13.178 -7.722 1.00 0.00 H new ATOM 0 HD1 HIS A 110 17.721 14.968 -8.490 1.00 0.00 H new ATOM 0 HD2 HIS A 110 18.022 14.563 -4.350 1.00 0.00 H new ATOM 0 HE1 HIS A 110 16.702 17.052 -7.491 1.00 0.00 H new ATOM 1746 N PHE A 111 15.700 11.960 -6.614 1.00 0.00 N ATOM 1747 CA PHE A 111 14.370 11.889 -5.989 1.00 0.00 C ATOM 1748 C PHE A 111 14.185 13.080 -5.053 1.00 0.00 C ATOM 1749 O PHE A 111 13.511 14.048 -5.395 1.00 0.00 O ATOM 1750 CB PHE A 111 14.173 10.506 -5.271 1.00 0.00 C ATOM 1751 CG PHE A 111 12.795 10.189 -4.702 1.00 0.00 C ATOM 1752 CD1 PHE A 111 11.751 11.111 -4.721 1.00 0.00 C ATOM 1753 CD2 PHE A 111 12.558 8.942 -4.139 1.00 0.00 C ATOM 1754 CE1 PHE A 111 10.516 10.798 -4.192 1.00 0.00 C ATOM 1755 CE2 PHE A 111 11.324 8.630 -3.611 1.00 0.00 C ATOM 1756 CZ PHE A 111 10.302 9.557 -3.638 1.00 0.00 C ATOM 0 H PHE A 111 15.665 12.242 -7.594 1.00 0.00 H new ATOM 0 HA PHE A 111 13.594 11.950 -6.752 1.00 0.00 H new ATOM 0 HB2 PHE A 111 14.430 9.720 -5.981 1.00 0.00 H new ATOM 0 HB3 PHE A 111 14.894 10.447 -4.455 1.00 0.00 H new ATOM 0 HD1 PHE A 111 11.911 12.086 -5.157 1.00 0.00 H new ATOM 0 HD2 PHE A 111 13.350 8.208 -4.115 1.00 0.00 H new ATOM 0 HE1 PHE A 111 9.718 11.526 -4.213 1.00 0.00 H new ATOM 0 HE2 PHE A 111 11.156 7.657 -3.174 1.00 0.00 H new ATOM 0 HZ PHE A 111 9.336 9.309 -3.225 1.00 0.00 H new ATOM 1766 N ALA A 112 14.828 13.027 -3.924 1.00 0.00 N ATOM 1767 CA ALA A 112 14.768 14.076 -2.947 1.00 0.00 C ATOM 1768 C ALA A 112 15.998 13.982 -2.093 1.00 0.00 C ATOM 1769 O ALA A 112 16.843 14.863 -2.105 1.00 0.00 O ATOM 1770 CB ALA A 112 13.500 13.970 -2.093 1.00 0.00 C ATOM 0 H ALA A 112 15.419 12.242 -3.651 1.00 0.00 H new ATOM 0 HA ALA A 112 14.730 15.044 -3.447 1.00 0.00 H new ATOM 0 HB1 ALA A 112 13.485 14.779 -1.363 1.00 0.00 H new ATOM 0 HB2 ALA A 112 12.622 14.044 -2.735 1.00 0.00 H new ATOM 0 HB3 ALA A 112 13.490 13.012 -1.573 1.00 0.00 H new ATOM 1776 N GLU A 113 16.126 12.884 -1.413 1.00 0.00 N ATOM 1777 CA GLU A 113 17.247 12.657 -0.551 1.00 0.00 C ATOM 1778 C GLU A 113 18.210 11.717 -1.216 1.00 0.00 C ATOM 1779 O GLU A 113 17.810 10.658 -1.722 1.00 0.00 O ATOM 1780 CB GLU A 113 16.782 12.055 0.753 1.00 0.00 C ATOM 1781 CG GLU A 113 15.778 12.903 1.492 1.00 0.00 C ATOM 1782 CD GLU A 113 15.312 12.234 2.738 1.00 0.00 C ATOM 1783 OE1 GLU A 113 15.949 12.411 3.790 1.00 0.00 O ATOM 1784 OE2 GLU A 113 14.297 11.502 2.693 1.00 0.00 O ATOM 0 H GLU A 113 15.454 12.117 -1.440 1.00 0.00 H new ATOM 0 HA GLU A 113 17.740 13.608 -0.352 1.00 0.00 H new ATOM 0 HB2 GLU A 113 16.342 11.078 0.555 1.00 0.00 H new ATOM 0 HB3 GLU A 113 17.647 11.890 1.395 1.00 0.00 H new ATOM 0 HG2 GLU A 113 16.225 13.866 1.740 1.00 0.00 H new ATOM 0 HG3 GLU A 113 14.924 13.105 0.845 1.00 0.00 H new ATOM 1791 N SER A 114 19.442 12.107 -1.262 1.00 0.00 N ATOM 1792 CA SER A 114 20.482 11.293 -1.821 1.00 0.00 C ATOM 1793 C SER A 114 21.656 11.285 -0.853 1.00 0.00 C ATOM 1794 O SER A 114 22.129 10.226 -0.429 1.00 0.00 O ATOM 1795 CB SER A 114 20.902 11.885 -3.156 1.00 0.00 C ATOM 1796 OG SER A 114 19.754 12.209 -3.928 1.00 0.00 O ATOM 0 H SER A 114 19.763 13.009 -0.910 1.00 0.00 H new ATOM 0 HA SER A 114 20.136 10.272 -1.979 1.00 0.00 H new ATOM 0 HB2 SER A 114 21.505 12.779 -2.993 1.00 0.00 H new ATOM 0 HB3 SER A 114 21.526 11.174 -3.698 1.00 0.00 H new ATOM 0 HG SER A 114 19.065 11.526 -3.792 1.00 0.00 H new ATOM 1802 N GLU A 115 22.077 12.471 -0.485 1.00 0.00 N ATOM 1803 CA GLU A 115 23.164 12.695 0.443 1.00 0.00 C ATOM 1804 C GLU A 115 22.633 13.554 1.563 1.00 0.00 C ATOM 1805 O GLU A 115 21.422 13.776 1.641 1.00 0.00 O ATOM 1806 CB GLU A 115 24.295 13.442 -0.267 1.00 0.00 C ATOM 1807 CG GLU A 115 25.011 12.639 -1.329 1.00 0.00 C ATOM 1808 CD GLU A 115 25.825 11.514 -0.744 1.00 0.00 C ATOM 1809 OE1 GLU A 115 26.892 11.788 -0.150 1.00 0.00 O ATOM 1810 OE2 GLU A 115 25.426 10.354 -0.852 1.00 0.00 O ATOM 0 H GLU A 115 21.661 13.335 -0.833 1.00 0.00 H new ATOM 0 HA GLU A 115 23.546 11.748 0.824 1.00 0.00 H new ATOM 0 HB2 GLU A 115 23.886 14.343 -0.725 1.00 0.00 H new ATOM 0 HB3 GLU A 115 25.023 13.765 0.477 1.00 0.00 H new ATOM 0 HG2 GLU A 115 24.280 12.231 -2.027 1.00 0.00 H new ATOM 0 HG3 GLU A 115 25.664 13.298 -1.901 1.00 0.00 H new ATOM 1817 N THR A 116 23.501 14.035 2.420 1.00 0.00 N ATOM 1818 CA THR A 116 23.085 14.939 3.451 1.00 0.00 C ATOM 1819 C THR A 116 22.889 16.336 2.829 1.00 0.00 C ATOM 1820 O THR A 116 23.855 17.012 2.439 1.00 0.00 O ATOM 1821 CB THR A 116 24.060 14.935 4.663 1.00 0.00 C ATOM 1822 OG1 THR A 116 23.606 15.803 5.704 1.00 0.00 O ATOM 1823 CG2 THR A 116 25.450 15.293 4.243 1.00 0.00 C ATOM 0 H THR A 116 24.497 13.813 2.420 1.00 0.00 H new ATOM 0 HA THR A 116 22.132 14.610 3.866 1.00 0.00 H new ATOM 0 HB THR A 116 24.078 13.920 5.060 1.00 0.00 H new ATOM 0 HG1 THR A 116 24.239 15.777 6.451 1.00 0.00 H new ATOM 0 HG21 THR A 116 26.107 15.281 5.113 1.00 0.00 H new ATOM 0 HG22 THR A 116 25.806 14.570 3.509 1.00 0.00 H new ATOM 0 HG23 THR A 116 25.451 16.289 3.801 1.00 0.00 H new ATOM 1831 N LEU A 117 21.617 16.710 2.644 1.00 0.00 N ATOM 1832 CA LEU A 117 21.230 17.952 1.963 1.00 0.00 C ATOM 1833 C LEU A 117 21.641 17.879 0.479 1.00 0.00 C ATOM 1834 O LEU A 117 22.070 16.814 0.002 1.00 0.00 O ATOM 1835 CB LEU A 117 21.783 19.234 2.664 1.00 0.00 C ATOM 1836 CG LEU A 117 21.162 19.635 4.034 1.00 0.00 C ATOM 1837 CD1 LEU A 117 21.446 18.617 5.133 1.00 0.00 C ATOM 1838 CD2 LEU A 117 21.650 21.008 4.456 1.00 0.00 C ATOM 0 H LEU A 117 20.823 16.156 2.964 1.00 0.00 H new ATOM 0 HA LEU A 117 20.145 18.041 2.025 1.00 0.00 H new ATOM 0 HB2 LEU A 117 22.855 19.101 2.808 1.00 0.00 H new ATOM 0 HB3 LEU A 117 21.655 20.072 1.979 1.00 0.00 H new ATOM 0 HG LEU A 117 20.082 19.659 3.892 1.00 0.00 H new ATOM 0 HD11 LEU A 117 20.988 18.950 6.065 1.00 0.00 H new ATOM 0 HD12 LEU A 117 21.030 17.650 4.850 1.00 0.00 H new ATOM 0 HD13 LEU A 117 22.523 18.522 5.271 1.00 0.00 H new ATOM 0 HD21 LEU A 117 21.206 21.273 5.416 1.00 0.00 H new ATOM 0 HD22 LEU A 117 22.736 20.995 4.550 1.00 0.00 H new ATOM 0 HD23 LEU A 117 21.359 21.744 3.706 1.00 0.00 H new ATOM 1850 N ASP A 118 21.477 18.947 -0.256 1.00 0.00 N ATOM 1851 CA ASP A 118 21.829 18.940 -1.674 1.00 0.00 C ATOM 1852 C ASP A 118 22.758 20.064 -1.954 1.00 0.00 C ATOM 1853 O ASP A 118 23.966 19.827 -2.167 1.00 0.00 O ATOM 1854 CB ASP A 118 20.600 19.056 -2.597 1.00 0.00 C ATOM 1855 CG ASP A 118 19.635 17.914 -2.472 1.00 0.00 C ATOM 1856 OD1 ASP A 118 19.800 16.890 -3.175 1.00 0.00 O ATOM 1857 OD2 ASP A 118 18.679 18.019 -1.671 1.00 0.00 O ATOM 1858 OXT ASP A 118 22.315 21.220 -1.909 1.00 0.00 O ATOM 0 H ASP A 118 21.106 19.832 0.089 1.00 0.00 H new ATOM 0 HA ASP A 118 22.302 17.981 -1.884 1.00 0.00 H new ATOM 0 HB2 ASP A 118 20.077 19.986 -2.374 1.00 0.00 H new ATOM 0 HB3 ASP A 118 20.939 19.120 -3.631 1.00 0.00 H new TER 1863 ASP A 118