USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 783 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 84 LYS NZ :NH3+ -171:sc= 0 (180deg=0) USER MOD Set 1.2: A 87 MET CE :methyl -176:sc= 0 (180deg=-0.0153) USER MOD Set 2.1: A 53 ASN : amide:sc= 0.892 K(o=2,f=-12!) USER MOD Set 2.2: A 70 LYS NZ :NH3+ -137:sc= 1.09 (180deg=-0.105) USER MOD Set 3.1: A 32 GLN : amide:sc= 1.07 K(o=2.3,f=-7.5!) USER MOD Set 3.2: A 38 LYS NZ :NH3+ 180:sc= 1.24 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0.0512 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 CYS SG : rot 180:sc= -0.197 USER MOD Single : A 24 THR OG1 : rot 90:sc= 0.326 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -103:sc= 1.23 USER MOD Single : A 34 SER OG : rot -152:sc= 0.921 USER MOD Single : A 37 SER OG : rot 160:sc= -0.176 USER MOD Single : A 39 MET CE :methyl -115:sc= -0.0883 (180deg=-1.35) USER MOD Single : A 40 SER OG : rot 180:sc= 0.0195 USER MOD Single : A 42 ASN : amide:sc= -0.17 X(o=-0.17,f=-0.2) USER MOD Single : A 43 GLN : amide:sc= -0.0219 K(o=-0.022,f=-0.87) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot -118:sc= 1.7 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 170:sc= 1.13 (180deg=0.583) USER MOD Single : A 69 GLN : amide:sc= -0.651 X(o=-0.65,f=-0.73) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 157:sc= 1.24 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot -175:sc= 1.02 USER MOD Single : A 92 ASN : amide:sc= -0.243 K(o=-0.24,f=-2.3!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 MET CE :methyl 165:sc= -0.0211 (180deg=-0.131) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N ILE A 3 -11.443 4.662 0.956 1.00 0.84 N ATOM 32 CA ILE A 3 -10.479 5.256 0.045 1.00 0.77 C ATOM 33 C ILE A 3 -11.086 5.458 -1.341 1.00 0.74 C ATOM 34 O ILE A 3 -10.822 6.446 -2.023 1.00 0.75 O ATOM 35 CB ILE A 3 -9.174 4.457 0.029 1.00 0.88 C ATOM 36 CG1 ILE A 3 -9.251 3.121 -0.724 1.00 1.09 C ATOM 37 CG2 ILE A 3 -8.709 4.187 1.465 1.00 0.97 C ATOM 38 CD1 ILE A 3 -8.705 3.209 -2.151 1.00 1.50 C ATOM 0 HA ILE A 3 -10.220 6.251 0.408 1.00 0.77 H new ATOM 0 HB ILE A 3 -8.462 5.079 -0.513 1.00 0.88 H new ATOM 0 HG12 ILE A 3 -8.691 2.366 -0.172 1.00 1.09 H new ATOM 0 HG13 ILE A 3 -10.288 2.788 -0.757 1.00 1.09 H new ATOM 0 HG21 ILE A 3 -7.780 3.618 1.446 1.00 0.97 H new ATOM 0 HG22 ILE A 3 -8.544 5.134 1.978 1.00 0.97 H new ATOM 0 HG23 ILE A 3 -9.473 3.617 1.994 1.00 0.97 H new ATOM 0 HD11 ILE A 3 -8.786 2.234 -2.632 1.00 1.50 H new ATOM 0 HD12 ILE A 3 -9.281 3.942 -2.716 1.00 1.50 H new ATOM 0 HD13 ILE A 3 -7.659 3.513 -2.122 1.00 1.50 H new ATOM 50 N THR A 4 -11.932 4.516 -1.755 1.00 0.83 N ATOM 51 CA THR A 4 -12.470 4.512 -3.098 1.00 1.06 C ATOM 52 C THR A 4 -13.535 5.603 -3.310 1.00 0.95 C ATOM 53 O THR A 4 -14.059 5.719 -4.412 1.00 1.31 O ATOM 54 CB THR A 4 -12.993 3.111 -3.435 1.00 1.48 C ATOM 55 OG1 THR A 4 -14.218 2.874 -2.772 1.00 1.76 O ATOM 56 CG2 THR A 4 -12.014 1.979 -3.100 1.00 3.40 C ATOM 0 H THR A 4 -12.256 3.746 -1.170 1.00 0.83 H new ATOM 0 HA THR A 4 -11.666 4.758 -3.792 1.00 1.06 H new ATOM 0 HB THR A 4 -13.127 3.101 -4.517 1.00 1.48 H new ATOM 0 HG1 THR A 4 -14.543 1.977 -2.996 1.00 1.76 H new ATOM 0 HG21 THR A 4 -12.460 1.021 -3.369 1.00 3.40 H new ATOM 0 HG22 THR A 4 -11.090 2.119 -3.661 1.00 3.40 H new ATOM 0 HG23 THR A 4 -11.796 1.991 -2.032 1.00 3.40 H new ATOM 64 N ASP A 5 -13.883 6.372 -2.270 1.00 0.93 N ATOM 65 CA ASP A 5 -14.846 7.467 -2.372 1.00 0.99 C ATOM 66 C ASP A 5 -14.146 8.829 -2.373 1.00 1.08 C ATOM 67 O ASP A 5 -14.613 9.760 -3.023 1.00 2.16 O ATOM 68 CB ASP A 5 -15.868 7.376 -1.230 1.00 1.54 C ATOM 69 CG ASP A 5 -16.970 6.379 -1.549 1.00 2.13 C ATOM 70 OD1 ASP A 5 -16.623 5.185 -1.673 1.00 3.72 O ATOM 71 OD2 ASP A 5 -18.137 6.804 -1.641 1.00 2.38 O ATOM 0 H ASP A 5 -13.501 6.249 -1.332 1.00 0.93 H new ATOM 0 HA ASP A 5 -15.372 7.372 -3.322 1.00 0.99 H new ATOM 0 HB2 ASP A 5 -15.363 7.080 -0.311 1.00 1.54 H new ATOM 0 HB3 ASP A 5 -16.305 8.359 -1.052 1.00 1.54 H new ATOM 76 N VAL A 6 -13.047 8.968 -1.625 1.00 0.77 N ATOM 77 CA VAL A 6 -12.436 10.273 -1.377 1.00 0.70 C ATOM 78 C VAL A 6 -11.745 10.841 -2.620 1.00 0.55 C ATOM 79 O VAL A 6 -11.869 12.028 -2.911 1.00 0.58 O ATOM 80 CB VAL A 6 -11.496 10.218 -0.155 1.00 0.99 C ATOM 81 CG1 VAL A 6 -12.326 10.020 1.119 1.00 2.13 C ATOM 82 CG2 VAL A 6 -10.412 9.140 -0.232 1.00 2.44 C ATOM 0 H VAL A 6 -12.563 8.188 -1.180 1.00 0.77 H new ATOM 0 HA VAL A 6 -13.240 10.970 -1.140 1.00 0.70 H new ATOM 0 HB VAL A 6 -10.967 11.171 -0.141 1.00 0.99 H new ATOM 0 HG11 VAL A 6 -11.663 9.981 1.983 1.00 2.13 H new ATOM 0 HG12 VAL A 6 -13.022 10.851 1.233 1.00 2.13 H new ATOM 0 HG13 VAL A 6 -12.885 9.087 1.048 1.00 2.13 H new ATOM 0 HG21 VAL A 6 -9.799 9.175 0.669 1.00 2.44 H new ATOM 0 HG22 VAL A 6 -10.880 8.159 -0.315 1.00 2.44 H new ATOM 0 HG23 VAL A 6 -9.784 9.317 -1.105 1.00 2.44 H new ATOM 92 N LEU A 7 -10.986 9.999 -3.320 1.00 0.47 N ATOM 93 CA LEU A 7 -10.131 10.371 -4.444 1.00 0.46 C ATOM 94 C LEU A 7 -9.553 9.071 -4.985 1.00 0.43 C ATOM 95 O LEU A 7 -9.798 8.703 -6.133 1.00 0.43 O ATOM 96 CB LEU A 7 -9.019 11.335 -3.979 1.00 0.59 C ATOM 97 CG LEU A 7 -7.926 11.594 -5.039 1.00 0.74 C ATOM 98 CD1 LEU A 7 -7.924 13.058 -5.490 1.00 0.92 C ATOM 99 CD2 LEU A 7 -6.545 11.244 -4.470 1.00 1.13 C ATOM 0 H LEU A 7 -10.949 9.001 -3.111 1.00 0.47 H new ATOM 0 HA LEU A 7 -10.689 10.896 -5.219 1.00 0.46 H new ATOM 0 HB2 LEU A 7 -9.471 12.286 -3.699 1.00 0.59 H new ATOM 0 HB3 LEU A 7 -8.552 10.928 -3.082 1.00 0.59 H new ATOM 0 HG LEU A 7 -8.145 10.962 -5.900 1.00 0.74 H new ATOM 0 HD11 LEU A 7 -7.144 13.208 -6.236 1.00 0.92 H new ATOM 0 HD12 LEU A 7 -8.893 13.307 -5.923 1.00 0.92 H new ATOM 0 HD13 LEU A 7 -7.734 13.703 -4.632 1.00 0.92 H new ATOM 0 HD21 LEU A 7 -5.782 11.430 -5.226 1.00 1.13 H new ATOM 0 HD22 LEU A 7 -6.346 11.861 -3.594 1.00 1.13 H new ATOM 0 HD23 LEU A 7 -6.525 10.192 -4.186 1.00 1.13 H new ATOM 111 N SER A 8 -8.858 8.357 -4.093 1.00 0.50 N ATOM 112 CA SER A 8 -8.010 7.213 -4.360 1.00 0.50 C ATOM 113 C SER A 8 -8.582 6.169 -5.319 1.00 0.45 C ATOM 114 O SER A 8 -7.800 5.433 -5.900 1.00 0.45 O ATOM 115 CB SER A 8 -7.589 6.606 -3.025 1.00 0.65 C ATOM 116 OG SER A 8 -7.193 7.649 -2.151 1.00 1.07 O ATOM 0 H SER A 8 -8.882 8.587 -3.100 1.00 0.50 H new ATOM 0 HA SER A 8 -7.143 7.582 -4.908 1.00 0.50 H new ATOM 0 HB2 SER A 8 -8.415 6.043 -2.590 1.00 0.65 H new ATOM 0 HB3 SER A 8 -6.767 5.905 -3.172 1.00 0.65 H new ATOM 0 HG SER A 8 -6.922 7.269 -1.289 1.00 1.07 H new ATOM 122 N ALA A 9 -9.904 6.073 -5.502 1.00 0.47 N ATOM 123 CA ALA A 9 -10.505 5.284 -6.578 1.00 0.49 C ATOM 124 C ALA A 9 -9.850 5.552 -7.940 1.00 0.46 C ATOM 125 O ALA A 9 -9.472 4.621 -8.653 1.00 0.50 O ATOM 126 CB ALA A 9 -12.006 5.568 -6.673 1.00 0.57 C ATOM 0 H ALA A 9 -10.586 6.542 -4.906 1.00 0.47 H new ATOM 0 HA ALA A 9 -10.338 4.236 -6.328 1.00 0.49 H new ATOM 0 HB1 ALA A 9 -12.439 4.974 -7.478 1.00 0.57 H new ATOM 0 HB2 ALA A 9 -12.486 5.306 -5.730 1.00 0.57 H new ATOM 0 HB3 ALA A 9 -12.164 6.627 -6.879 1.00 0.57 H new ATOM 132 N ASP A 10 -9.735 6.824 -8.319 1.00 0.44 N ATOM 133 CA ASP A 10 -9.166 7.169 -9.616 1.00 0.47 C ATOM 134 C ASP A 10 -7.696 6.741 -9.660 1.00 0.46 C ATOM 135 O ASP A 10 -7.195 6.190 -10.642 1.00 0.49 O ATOM 136 CB ASP A 10 -9.329 8.672 -9.852 1.00 0.53 C ATOM 137 CG ASP A 10 -8.939 9.036 -11.276 1.00 0.62 C ATOM 138 OD1 ASP A 10 -9.734 8.692 -12.178 1.00 1.95 O ATOM 139 OD2 ASP A 10 -7.869 9.656 -11.441 1.00 1.53 O ATOM 0 H ASP A 10 -10.025 7.622 -7.753 1.00 0.44 H new ATOM 0 HA ASP A 10 -9.689 6.642 -10.414 1.00 0.47 H new ATOM 0 HB2 ASP A 10 -10.362 8.965 -9.666 1.00 0.53 H new ATOM 0 HB3 ASP A 10 -8.709 9.226 -9.147 1.00 0.53 H new ATOM 144 N ASP A 11 -7.015 6.938 -8.536 1.00 0.46 N ATOM 145 CA ASP A 11 -5.597 6.719 -8.392 1.00 0.47 C ATOM 146 C ASP A 11 -5.307 5.225 -8.497 1.00 0.41 C ATOM 147 O ASP A 11 -4.401 4.809 -9.213 1.00 0.43 O ATOM 148 CB ASP A 11 -5.139 7.295 -7.051 1.00 0.55 C ATOM 149 CG ASP A 11 -5.550 8.742 -6.825 1.00 1.29 C ATOM 150 OD1 ASP A 11 -6.778 8.960 -6.733 1.00 2.24 O ATOM 151 OD2 ASP A 11 -4.640 9.591 -6.711 1.00 2.26 O ATOM 0 H ASP A 11 -7.458 7.265 -7.677 1.00 0.46 H new ATOM 0 HA ASP A 11 -5.044 7.224 -9.184 1.00 0.47 H new ATOM 0 HB2 ASP A 11 -5.546 6.683 -6.246 1.00 0.55 H new ATOM 0 HB3 ASP A 11 -4.053 7.223 -6.988 1.00 0.55 H new ATOM 156 N ILE A 12 -6.096 4.390 -7.815 1.00 0.42 N ATOM 157 CA ILE A 12 -5.975 2.957 -7.933 1.00 0.47 C ATOM 158 C ILE A 12 -6.291 2.507 -9.357 1.00 0.52 C ATOM 159 O ILE A 12 -5.619 1.612 -9.857 1.00 0.59 O ATOM 160 CB ILE A 12 -6.791 2.215 -6.871 1.00 0.54 C ATOM 161 CG1 ILE A 12 -8.308 2.368 -7.015 1.00 0.56 C ATOM 162 CG2 ILE A 12 -6.253 2.534 -5.469 1.00 0.56 C ATOM 163 CD1 ILE A 12 -9.142 1.498 -6.074 1.00 0.74 C ATOM 0 H ILE A 12 -6.827 4.697 -7.174 1.00 0.42 H new ATOM 0 HA ILE A 12 -4.938 2.688 -7.735 1.00 0.47 H new ATOM 0 HB ILE A 12 -6.647 1.148 -7.040 1.00 0.54 H new ATOM 0 HG12 ILE A 12 -8.569 3.413 -6.846 1.00 0.56 H new ATOM 0 HG13 ILE A 12 -8.585 2.133 -8.043 1.00 0.56 H new ATOM 0 HG21 ILE A 12 -6.842 2.000 -4.723 1.00 0.56 H new ATOM 0 HG22 ILE A 12 -5.211 2.222 -5.400 1.00 0.56 H new ATOM 0 HG23 ILE A 12 -6.324 3.606 -5.287 1.00 0.56 H new ATOM 0 HD11 ILE A 12 -10.202 1.679 -6.254 1.00 0.74 H new ATOM 0 HD12 ILE A 12 -8.918 0.447 -6.256 1.00 0.74 H new ATOM 0 HD13 ILE A 12 -8.902 1.747 -5.040 1.00 0.74 H new ATOM 175 N ALA A 13 -7.275 3.118 -10.027 1.00 0.52 N ATOM 176 CA ALA A 13 -7.522 2.829 -11.435 1.00 0.60 C ATOM 177 C ALA A 13 -6.258 3.087 -12.266 1.00 0.60 C ATOM 178 O ALA A 13 -5.864 2.239 -13.068 1.00 0.68 O ATOM 179 CB ALA A 13 -8.734 3.609 -11.956 1.00 0.63 C ATOM 0 H ALA A 13 -7.905 3.808 -9.618 1.00 0.52 H new ATOM 0 HA ALA A 13 -7.766 1.772 -11.536 1.00 0.60 H new ATOM 0 HB1 ALA A 13 -8.894 3.373 -13.008 1.00 0.63 H new ATOM 0 HB2 ALA A 13 -9.619 3.331 -11.384 1.00 0.63 H new ATOM 0 HB3 ALA A 13 -8.553 4.678 -11.847 1.00 0.63 H new ATOM 185 N ALA A 14 -5.590 4.225 -12.052 1.00 0.55 N ATOM 186 CA ALA A 14 -4.307 4.494 -12.698 1.00 0.58 C ATOM 187 C ALA A 14 -3.283 3.407 -12.351 1.00 0.56 C ATOM 188 O ALA A 14 -2.776 2.732 -13.248 1.00 0.63 O ATOM 189 CB ALA A 14 -3.789 5.890 -12.338 1.00 0.58 C ATOM 0 H ALA A 14 -5.917 4.971 -11.438 1.00 0.55 H new ATOM 0 HA ALA A 14 -4.460 4.472 -13.777 1.00 0.58 H new ATOM 0 HB1 ALA A 14 -2.833 6.062 -12.833 1.00 0.58 H new ATOM 0 HB2 ALA A 14 -4.508 6.641 -12.666 1.00 0.58 H new ATOM 0 HB3 ALA A 14 -3.657 5.962 -11.258 1.00 0.58 H new ATOM 195 N ALA A 15 -3.020 3.205 -11.054 1.00 0.51 N ATOM 196 CA ALA A 15 -2.066 2.238 -10.522 1.00 0.52 C ATOM 197 C ALA A 15 -2.254 0.877 -11.181 1.00 0.58 C ATOM 198 O ALA A 15 -1.305 0.247 -11.650 1.00 0.62 O ATOM 199 CB ALA A 15 -2.248 2.106 -9.005 1.00 0.52 C ATOM 0 H ALA A 15 -3.489 3.736 -10.320 1.00 0.51 H new ATOM 0 HA ALA A 15 -1.059 2.594 -10.738 1.00 0.52 H new ATOM 0 HB1 ALA A 15 -1.533 1.382 -8.614 1.00 0.52 H new ATOM 0 HB2 ALA A 15 -2.080 3.074 -8.533 1.00 0.52 H new ATOM 0 HB3 ALA A 15 -3.261 1.768 -8.788 1.00 0.52 H new ATOM 205 N LEU A 16 -3.514 0.446 -11.207 1.00 0.62 N ATOM 206 CA LEU A 16 -3.954 -0.804 -11.780 1.00 0.69 C ATOM 207 C LEU A 16 -3.459 -0.914 -13.214 1.00 0.74 C ATOM 208 O LEU A 16 -2.963 -1.968 -13.598 1.00 0.76 O ATOM 209 CB LEU A 16 -5.485 -0.937 -11.648 1.00 0.76 C ATOM 210 CG LEU A 16 -6.149 -1.957 -12.595 1.00 1.20 C ATOM 211 CD1 LEU A 16 -7.260 -2.727 -11.875 1.00 2.12 C ATOM 212 CD2 LEU A 16 -6.774 -1.235 -13.797 1.00 2.80 C ATOM 0 H LEU A 16 -4.281 0.989 -10.810 1.00 0.62 H new ATOM 0 HA LEU A 16 -3.524 -1.643 -11.234 1.00 0.69 H new ATOM 0 HB2 LEU A 16 -5.720 -1.215 -10.621 1.00 0.76 H new ATOM 0 HB3 LEU A 16 -5.933 0.041 -11.824 1.00 0.76 H new ATOM 0 HG LEU A 16 -5.376 -2.650 -12.927 1.00 1.20 H new ATOM 0 HD11 LEU A 16 -7.713 -3.440 -12.563 1.00 2.12 H new ATOM 0 HD12 LEU A 16 -6.839 -3.262 -11.023 1.00 2.12 H new ATOM 0 HD13 LEU A 16 -8.019 -2.028 -11.525 1.00 2.12 H new ATOM 0 HD21 LEU A 16 -7.240 -1.966 -14.458 1.00 2.80 H new ATOM 0 HD22 LEU A 16 -7.528 -0.530 -13.446 1.00 2.80 H new ATOM 0 HD23 LEU A 16 -5.999 -0.696 -14.341 1.00 2.80 H new ATOM 224 N GLN A 17 -3.587 0.155 -14.006 1.00 0.79 N ATOM 225 CA GLN A 17 -3.255 0.094 -15.420 1.00 0.91 C ATOM 226 C GLN A 17 -1.747 0.193 -15.603 1.00 0.95 C ATOM 227 O GLN A 17 -1.162 -0.585 -16.357 1.00 1.09 O ATOM 228 CB GLN A 17 -4.029 1.156 -16.221 1.00 0.90 C ATOM 229 CG GLN A 17 -5.084 0.464 -17.099 1.00 1.70 C ATOM 230 CD GLN A 17 -6.033 1.450 -17.769 1.00 2.27 C ATOM 231 OE1 GLN A 17 -7.223 1.472 -17.476 1.00 3.67 O ATOM 232 NE2 GLN A 17 -5.527 2.251 -18.701 1.00 2.48 N ATOM 0 H GLN A 17 -3.917 1.066 -13.687 1.00 0.79 H new ATOM 0 HA GLN A 17 -3.569 -0.870 -15.821 1.00 0.91 H new ATOM 0 HB2 GLN A 17 -4.510 1.860 -15.542 1.00 0.90 H new ATOM 0 HB3 GLN A 17 -3.342 1.731 -16.843 1.00 0.90 H new ATOM 0 HG2 GLN A 17 -4.582 -0.127 -17.865 1.00 1.70 H new ATOM 0 HG3 GLN A 17 -5.661 -0.230 -16.487 1.00 1.70 H new ATOM 0 HE21 GLN A 17 -4.532 2.210 -18.923 1.00 2.48 H new ATOM 0 HE22 GLN A 17 -6.133 2.907 -19.194 1.00 2.48 H new ATOM 241 N GLU A 18 -1.117 1.151 -14.922 1.00 0.89 N ATOM 242 CA GLU A 18 0.301 1.403 -15.088 1.00 0.99 C ATOM 243 C GLU A 18 1.118 0.184 -14.639 1.00 1.05 C ATOM 244 O GLU A 18 2.092 -0.178 -15.294 1.00 1.19 O ATOM 245 CB GLU A 18 0.665 2.736 -14.416 1.00 0.95 C ATOM 246 CG GLU A 18 1.027 2.644 -12.937 1.00 1.13 C ATOM 247 CD GLU A 18 1.200 4.044 -12.373 1.00 1.97 C ATOM 248 OE1 GLU A 18 0.180 4.619 -11.930 1.00 3.56 O ATOM 249 OE2 GLU A 18 2.353 4.521 -12.438 1.00 2.29 O ATOM 0 H GLU A 18 -1.576 1.764 -14.248 1.00 0.89 H new ATOM 0 HA GLU A 18 0.561 1.528 -16.139 1.00 0.99 H new ATOM 0 HB2 GLU A 18 1.506 3.176 -14.952 1.00 0.95 H new ATOM 0 HB3 GLU A 18 -0.176 3.420 -14.525 1.00 0.95 H new ATOM 0 HG2 GLU A 18 0.246 2.114 -12.392 1.00 1.13 H new ATOM 0 HG3 GLU A 18 1.947 2.073 -12.811 1.00 1.13 H new ATOM 256 N CYS A 19 0.689 -0.487 -13.562 1.00 0.96 N ATOM 257 CA CYS A 19 1.310 -1.714 -13.071 1.00 1.00 C ATOM 258 C CYS A 19 0.482 -2.934 -13.489 1.00 0.98 C ATOM 259 O CYS A 19 0.232 -3.820 -12.675 1.00 1.04 O ATOM 260 CB CYS A 19 1.474 -1.669 -11.543 1.00 1.11 C ATOM 261 SG CYS A 19 2.500 -0.271 -11.030 1.00 1.50 S ATOM 0 H CYS A 19 -0.109 -0.185 -13.004 1.00 0.96 H new ATOM 0 HA CYS A 19 2.302 -1.799 -13.515 1.00 1.00 H new ATOM 0 HB2 CYS A 19 0.494 -1.595 -11.072 1.00 1.11 H new ATOM 0 HB3 CYS A 19 1.924 -2.599 -11.196 1.00 1.11 H new ATOM 0 HG CYS A 19 2.612 -0.267 -9.735 1.00 1.50 H new ATOM 267 N ARG A 20 0.060 -3.016 -14.758 1.00 0.96 N ATOM 268 CA ARG A 20 -0.618 -4.213 -15.258 1.00 0.94 C ATOM 269 C ARG A 20 0.395 -5.343 -15.338 1.00 0.81 C ATOM 270 O ARG A 20 0.177 -6.450 -14.840 1.00 0.80 O ATOM 271 CB ARG A 20 -1.236 -3.959 -16.644 1.00 1.02 C ATOM 272 CG ARG A 20 -2.732 -3.681 -16.488 1.00 1.60 C ATOM 273 CD ARG A 20 -3.337 -3.033 -17.733 1.00 2.10 C ATOM 274 NE ARG A 20 -3.459 -3.979 -18.851 1.00 2.63 N ATOM 275 CZ ARG A 20 -4.488 -4.824 -19.030 1.00 3.38 C ATOM 276 NH1 ARG A 20 -5.424 -4.946 -18.080 1.00 4.21 N ATOM 277 NH2 ARG A 20 -4.579 -5.539 -20.156 1.00 4.02 N ATOM 0 H ARG A 20 0.176 -2.274 -15.449 1.00 0.96 H new ATOM 0 HA ARG A 20 -1.427 -4.479 -14.578 1.00 0.94 H new ATOM 0 HB2 ARG A 20 -0.745 -3.112 -17.124 1.00 1.02 H new ATOM 0 HB3 ARG A 20 -1.081 -4.824 -17.288 1.00 1.02 H new ATOM 0 HG2 ARG A 20 -3.253 -4.616 -16.279 1.00 1.60 H new ATOM 0 HG3 ARG A 20 -2.890 -3.029 -15.629 1.00 1.60 H new ATOM 0 HD2 ARG A 20 -4.321 -2.633 -17.490 1.00 2.10 H new ATOM 0 HD3 ARG A 20 -2.717 -2.190 -18.039 1.00 2.10 H new ATOM 0 HE ARG A 20 -2.708 -3.995 -19.541 1.00 2.63 H new ATOM 0 HH11 ARG A 20 -5.355 -4.398 -17.223 1.00 4.21 H new ATOM 0 HH12 ARG A 20 -6.206 -5.587 -18.214 1.00 4.21 H new ATOM 0 HH21 ARG A 20 -3.867 -5.443 -20.880 1.00 4.02 H new ATOM 0 HH22 ARG A 20 -5.361 -6.180 -20.291 1.00 4.02 H new ATOM 291 N ASP A 21 1.494 -5.041 -16.020 1.00 0.92 N ATOM 292 CA ASP A 21 2.564 -5.961 -16.312 1.00 0.82 C ATOM 293 C ASP A 21 3.207 -6.460 -15.016 1.00 0.75 C ATOM 294 O ASP A 21 3.404 -5.680 -14.079 1.00 0.71 O ATOM 295 CB ASP A 21 3.552 -5.232 -17.223 1.00 0.86 C ATOM 296 CG ASP A 21 2.941 -5.022 -18.600 1.00 1.16 C ATOM 297 OD1 ASP A 21 2.091 -4.110 -18.696 1.00 2.08 O ATOM 298 OD2 ASP A 21 3.285 -5.813 -19.504 1.00 2.04 O ATOM 0 H ASP A 21 1.661 -4.108 -16.396 1.00 0.92 H new ATOM 0 HA ASP A 21 2.199 -6.851 -16.824 1.00 0.82 H new ATOM 0 HB2 ASP A 21 3.820 -4.270 -16.785 1.00 0.86 H new ATOM 0 HB3 ASP A 21 4.472 -5.810 -17.310 1.00 0.86 H new ATOM 303 N PRO A 22 3.524 -7.760 -14.928 1.00 0.81 N ATOM 304 CA PRO A 22 4.072 -8.352 -13.721 1.00 0.82 C ATOM 305 C PRO A 22 5.399 -7.688 -13.354 1.00 0.83 C ATOM 306 O PRO A 22 6.098 -7.175 -14.225 1.00 1.25 O ATOM 307 CB PRO A 22 4.231 -9.845 -14.030 1.00 0.95 C ATOM 308 CG PRO A 22 4.396 -9.873 -15.549 1.00 1.00 C ATOM 309 CD PRO A 22 3.499 -8.725 -16.013 1.00 0.92 C ATOM 0 HA PRO A 22 3.424 -8.208 -12.856 1.00 0.82 H new ATOM 0 HB2 PRO A 22 5.097 -10.271 -13.523 1.00 0.95 H new ATOM 0 HB3 PRO A 22 3.361 -10.417 -13.709 1.00 0.95 H new ATOM 0 HG2 PRO A 22 5.434 -9.720 -15.845 1.00 1.00 H new ATOM 0 HG3 PRO A 22 4.082 -10.827 -15.972 1.00 1.00 H new ATOM 0 HD2 PRO A 22 3.869 -8.286 -16.939 1.00 0.92 H new ATOM 0 HD3 PRO A 22 2.484 -9.072 -16.208 1.00 0.92 H new ATOM 317 N ASP A 23 5.706 -7.668 -12.054 1.00 0.60 N ATOM 318 CA ASP A 23 6.944 -7.145 -11.483 1.00 0.61 C ATOM 319 C ASP A 23 7.229 -5.670 -11.843 1.00 0.65 C ATOM 320 O ASP A 23 8.335 -5.178 -11.642 1.00 0.84 O ATOM 321 CB ASP A 23 8.104 -8.091 -11.841 1.00 0.74 C ATOM 322 CG ASP A 23 9.315 -7.922 -10.932 1.00 1.95 C ATOM 323 OD1 ASP A 23 9.100 -7.868 -9.701 1.00 2.80 O ATOM 324 OD2 ASP A 23 10.440 -7.925 -11.477 1.00 3.37 O ATOM 0 H ASP A 23 5.070 -8.031 -11.344 1.00 0.60 H new ATOM 0 HA ASP A 23 6.830 -7.122 -10.399 1.00 0.61 H new ATOM 0 HB2 ASP A 23 7.755 -9.122 -11.784 1.00 0.74 H new ATOM 0 HB3 ASP A 23 8.405 -7.913 -12.874 1.00 0.74 H new ATOM 329 N THR A 24 6.223 -4.931 -12.331 1.00 0.71 N ATOM 330 CA THR A 24 6.346 -3.510 -12.669 1.00 0.75 C ATOM 331 C THR A 24 6.062 -2.632 -11.443 1.00 0.69 C ATOM 332 O THR A 24 6.290 -1.425 -11.455 1.00 0.79 O ATOM 333 CB THR A 24 5.385 -3.192 -13.828 1.00 0.82 C ATOM 334 OG1 THR A 24 5.576 -4.141 -14.854 1.00 0.90 O ATOM 335 CG2 THR A 24 5.599 -1.806 -14.444 1.00 0.99 C ATOM 0 H THR A 24 5.292 -5.309 -12.503 1.00 0.71 H new ATOM 0 HA THR A 24 7.366 -3.292 -12.985 1.00 0.75 H new ATOM 0 HB THR A 24 4.380 -3.220 -13.407 1.00 0.82 H new ATOM 0 HG1 THR A 24 4.983 -4.907 -14.706 1.00 0.90 H new ATOM 0 HG21 THR A 24 4.886 -1.654 -15.254 1.00 0.99 H new ATOM 0 HG22 THR A 24 5.450 -1.042 -13.681 1.00 0.99 H new ATOM 0 HG23 THR A 24 6.614 -1.735 -14.836 1.00 0.99 H new ATOM 343 N PHE A 25 5.515 -3.231 -10.386 1.00 0.71 N ATOM 344 CA PHE A 25 5.028 -2.522 -9.221 1.00 0.73 C ATOM 345 C PHE A 25 6.200 -2.017 -8.373 1.00 0.75 C ATOM 346 O PHE A 25 6.959 -2.827 -7.844 1.00 1.06 O ATOM 347 CB PHE A 25 4.128 -3.487 -8.451 1.00 0.91 C ATOM 348 CG PHE A 25 3.282 -2.846 -7.377 1.00 1.04 C ATOM 349 CD1 PHE A 25 3.834 -2.592 -6.111 1.00 1.92 C ATOM 350 CD2 PHE A 25 1.933 -2.536 -7.626 1.00 1.85 C ATOM 351 CE1 PHE A 25 3.039 -2.045 -5.095 1.00 2.45 C ATOM 352 CE2 PHE A 25 1.119 -2.066 -6.583 1.00 2.19 C ATOM 353 CZ PHE A 25 1.668 -1.836 -5.311 1.00 2.19 C ATOM 0 H PHE A 25 5.399 -4.242 -10.322 1.00 0.71 H new ATOM 0 HA PHE A 25 4.456 -1.638 -9.503 1.00 0.73 H new ATOM 0 HB2 PHE A 25 3.470 -3.991 -9.159 1.00 0.91 H new ATOM 0 HB3 PHE A 25 4.751 -4.255 -7.993 1.00 0.91 H new ATOM 0 HD1 PHE A 25 4.873 -2.819 -5.920 1.00 1.92 H new ATOM 0 HD2 PHE A 25 1.524 -2.659 -8.618 1.00 1.85 H new ATOM 0 HE1 PHE A 25 3.482 -1.784 -4.145 1.00 2.45 H new ATOM 0 HE2 PHE A 25 0.070 -1.881 -6.759 1.00 2.19 H new ATOM 0 HZ PHE A 25 1.037 -1.499 -4.502 1.00 2.19 H new ATOM 363 N GLU A 26 6.325 -0.694 -8.222 1.00 0.76 N ATOM 364 CA GLU A 26 7.351 -0.030 -7.419 1.00 0.71 C ATOM 365 C GLU A 26 6.721 0.720 -6.233 1.00 0.59 C ATOM 366 O GLU A 26 5.627 1.262 -6.379 1.00 0.52 O ATOM 367 CB GLU A 26 8.122 0.966 -8.293 1.00 0.76 C ATOM 368 CG GLU A 26 9.250 0.320 -9.094 1.00 1.27 C ATOM 369 CD GLU A 26 10.037 1.407 -9.816 1.00 1.80 C ATOM 370 OE1 GLU A 26 9.443 2.026 -10.726 1.00 3.34 O ATOM 371 OE2 GLU A 26 11.187 1.647 -9.394 1.00 1.89 O ATOM 0 H GLU A 26 5.690 -0.035 -8.673 1.00 0.76 H new ATOM 0 HA GLU A 26 8.028 -0.791 -7.031 1.00 0.71 H new ATOM 0 HB2 GLU A 26 7.428 1.449 -8.981 1.00 0.76 H new ATOM 0 HB3 GLU A 26 8.538 1.749 -7.659 1.00 0.76 H new ATOM 0 HG2 GLU A 26 9.907 -0.242 -8.431 1.00 1.27 H new ATOM 0 HG3 GLU A 26 8.841 -0.389 -9.814 1.00 1.27 H new ATOM 378 N PRO A 27 7.413 0.806 -5.082 1.00 0.60 N ATOM 379 CA PRO A 27 6.906 1.405 -3.851 1.00 0.54 C ATOM 380 C PRO A 27 6.595 2.895 -4.008 1.00 0.50 C ATOM 381 O PRO A 27 5.432 3.272 -4.112 1.00 0.48 O ATOM 382 CB PRO A 27 7.977 1.150 -2.782 1.00 0.57 C ATOM 383 CG PRO A 27 9.255 0.878 -3.578 1.00 0.67 C ATOM 384 CD PRO A 27 8.744 0.260 -4.873 1.00 0.71 C ATOM 0 HA PRO A 27 5.954 0.956 -3.569 1.00 0.54 H new ATOM 0 HB2 PRO A 27 8.095 2.011 -2.124 1.00 0.57 H new ATOM 0 HB3 PRO A 27 7.714 0.301 -2.151 1.00 0.57 H new ATOM 0 HG2 PRO A 27 9.814 1.795 -3.764 1.00 0.67 H new ATOM 0 HG3 PRO A 27 9.922 0.200 -3.046 1.00 0.67 H new ATOM 0 HD2 PRO A 27 9.401 0.505 -5.708 1.00 0.71 H new ATOM 0 HD3 PRO A 27 8.712 -0.827 -4.800 1.00 0.71 H new ATOM 392 N GLN A 28 7.624 3.752 -4.009 1.00 0.55 N ATOM 393 CA GLN A 28 7.501 5.191 -4.054 1.00 0.56 C ATOM 394 C GLN A 28 6.579 5.629 -5.192 1.00 0.55 C ATOM 395 O GLN A 28 5.693 6.464 -5.004 1.00 0.63 O ATOM 396 CB GLN A 28 8.915 5.774 -4.196 1.00 0.62 C ATOM 397 CG GLN A 28 8.970 7.070 -3.404 1.00 1.36 C ATOM 398 CD GLN A 28 10.186 7.914 -3.773 1.00 1.79 C ATOM 399 OE1 GLN A 28 10.318 8.351 -4.911 1.00 3.19 O ATOM 400 NE2 GLN A 28 11.098 8.136 -2.831 1.00 1.50 N ATOM 0 H GLN A 28 8.594 3.438 -3.977 1.00 0.55 H new ATOM 0 HA GLN A 28 7.044 5.566 -3.138 1.00 0.56 H new ATOM 0 HB2 GLN A 28 9.657 5.068 -3.824 1.00 0.62 H new ATOM 0 HB3 GLN A 28 9.148 5.958 -5.245 1.00 0.62 H new ATOM 0 HG2 GLN A 28 8.062 7.644 -3.585 1.00 1.36 H new ATOM 0 HG3 GLN A 28 8.996 6.843 -2.338 1.00 1.36 H new ATOM 0 HE21 GLN A 28 10.963 7.761 -1.892 1.00 1.50 H new ATOM 0 HE22 GLN A 28 11.932 8.682 -3.047 1.00 1.50 H new ATOM 409 N LYS A 29 6.788 5.018 -6.363 1.00 0.49 N ATOM 410 CA LYS A 29 5.906 5.135 -7.508 1.00 0.48 C ATOM 411 C LYS A 29 4.464 4.926 -7.038 1.00 0.49 C ATOM 412 O LYS A 29 3.679 5.872 -7.029 1.00 0.59 O ATOM 413 CB LYS A 29 6.333 4.103 -8.566 1.00 0.51 C ATOM 414 CG LYS A 29 5.537 4.184 -9.875 1.00 0.64 C ATOM 415 CD LYS A 29 6.046 5.314 -10.778 1.00 1.24 C ATOM 416 CE LYS A 29 5.039 5.490 -11.919 1.00 2.01 C ATOM 417 NZ LYS A 29 5.500 6.424 -12.960 1.00 2.85 N ATOM 0 H LYS A 29 7.595 4.418 -6.535 1.00 0.49 H new ATOM 0 HA LYS A 29 5.968 6.123 -7.963 1.00 0.48 H new ATOM 0 HB2 LYS A 29 7.391 4.242 -8.787 1.00 0.51 H new ATOM 0 HB3 LYS A 29 6.223 3.103 -8.148 1.00 0.51 H new ATOM 0 HG2 LYS A 29 5.609 3.234 -10.405 1.00 0.64 H new ATOM 0 HG3 LYS A 29 4.482 4.344 -9.651 1.00 0.64 H new ATOM 0 HD2 LYS A 29 6.147 6.240 -10.211 1.00 1.24 H new ATOM 0 HD3 LYS A 29 7.033 5.072 -11.173 1.00 1.24 H new ATOM 0 HE2 LYS A 29 4.841 4.519 -12.373 1.00 2.01 H new ATOM 0 HE3 LYS A 29 4.095 5.849 -11.510 1.00 2.01 H new ATOM 0 HZ1 LYS A 29 4.776 6.500 -13.703 1.00 2.85 H new ATOM 0 HZ2 LYS A 29 5.664 7.361 -12.538 1.00 2.85 H new ATOM 0 HZ3 LYS A 29 6.386 6.072 -13.375 1.00 2.85 H new ATOM 431 N PHE A 30 4.131 3.698 -6.629 1.00 0.46 N ATOM 432 CA PHE A 30 2.797 3.310 -6.197 1.00 0.50 C ATOM 433 C PHE A 30 2.219 4.266 -5.149 1.00 0.56 C ATOM 434 O PHE A 30 1.041 4.605 -5.227 1.00 0.72 O ATOM 435 CB PHE A 30 2.817 1.867 -5.684 1.00 0.49 C ATOM 436 CG PHE A 30 1.476 1.404 -5.169 1.00 0.66 C ATOM 437 CD1 PHE A 30 0.445 1.125 -6.080 1.00 1.58 C ATOM 438 CD2 PHE A 30 1.215 1.397 -3.786 1.00 2.04 C ATOM 439 CE1 PHE A 30 -0.841 0.820 -5.609 1.00 1.64 C ATOM 440 CE2 PHE A 30 -0.076 1.110 -3.316 1.00 2.19 C ATOM 441 CZ PHE A 30 -1.102 0.816 -4.228 1.00 1.13 C ATOM 0 H PHE A 30 4.803 2.932 -6.591 1.00 0.46 H new ATOM 0 HA PHE A 30 2.136 3.371 -7.061 1.00 0.50 H new ATOM 0 HB2 PHE A 30 3.139 1.206 -6.489 1.00 0.49 H new ATOM 0 HB3 PHE A 30 3.555 1.781 -4.887 1.00 0.49 H new ATOM 0 HD1 PHE A 30 0.641 1.145 -7.142 1.00 1.58 H new ATOM 0 HD2 PHE A 30 2.009 1.613 -3.086 1.00 2.04 H new ATOM 0 HE1 PHE A 30 -1.631 0.588 -6.308 1.00 1.64 H new ATOM 0 HE2 PHE A 30 -0.280 1.115 -2.255 1.00 2.19 H new ATOM 0 HZ PHE A 30 -2.094 0.586 -3.868 1.00 1.13 H new ATOM 451 N PHE A 31 3.023 4.707 -4.176 1.00 0.50 N ATOM 452 CA PHE A 31 2.573 5.623 -3.135 1.00 0.59 C ATOM 453 C PHE A 31 1.954 6.872 -3.759 1.00 0.66 C ATOM 454 O PHE A 31 0.837 7.254 -3.406 1.00 0.79 O ATOM 455 CB PHE A 31 3.720 6.046 -2.206 1.00 0.73 C ATOM 456 CG PHE A 31 4.487 4.972 -1.459 1.00 1.66 C ATOM 457 CD1 PHE A 31 3.992 3.662 -1.313 1.00 3.41 C ATOM 458 CD2 PHE A 31 5.673 5.343 -0.801 1.00 2.51 C ATOM 459 CE1 PHE A 31 4.704 2.720 -0.548 1.00 4.82 C ATOM 460 CE2 PHE A 31 6.389 4.397 -0.053 1.00 3.99 C ATOM 461 CZ PHE A 31 5.905 3.087 0.082 1.00 4.87 C ATOM 0 H PHE A 31 4.003 4.436 -4.092 1.00 0.50 H new ATOM 0 HA PHE A 31 1.829 5.091 -2.543 1.00 0.59 H new ATOM 0 HB2 PHE A 31 4.437 6.610 -2.802 1.00 0.73 H new ATOM 0 HB3 PHE A 31 3.310 6.734 -1.467 1.00 0.73 H new ATOM 0 HD1 PHE A 31 3.064 3.380 -1.789 1.00 3.41 H new ATOM 0 HD2 PHE A 31 6.033 6.359 -0.872 1.00 2.51 H new ATOM 0 HE1 PHE A 31 4.327 1.713 -0.445 1.00 4.82 H new ATOM 0 HE2 PHE A 31 7.318 4.678 0.421 1.00 3.99 H new ATOM 0 HZ PHE A 31 6.453 2.364 0.668 1.00 4.87 H new ATOM 471 N GLN A 32 2.678 7.523 -4.675 1.00 0.64 N ATOM 472 CA GLN A 32 2.159 8.729 -5.300 1.00 0.77 C ATOM 473 C GLN A 32 1.072 8.384 -6.313 1.00 0.67 C ATOM 474 O GLN A 32 0.078 9.096 -6.406 1.00 0.71 O ATOM 475 CB GLN A 32 3.285 9.582 -5.898 1.00 0.92 C ATOM 476 CG GLN A 32 2.729 10.966 -6.273 1.00 1.86 C ATOM 477 CD GLN A 32 3.804 12.035 -6.443 1.00 2.04 C ATOM 478 OE1 GLN A 32 3.598 13.190 -6.072 1.00 3.43 O ATOM 479 NE2 GLN A 32 4.958 11.679 -6.998 1.00 1.61 N ATOM 0 H GLN A 32 3.605 7.238 -4.991 1.00 0.64 H new ATOM 0 HA GLN A 32 1.693 9.345 -4.531 1.00 0.77 H new ATOM 0 HB2 GLN A 32 4.098 9.686 -5.180 1.00 0.92 H new ATOM 0 HB3 GLN A 32 3.699 9.092 -6.780 1.00 0.92 H new ATOM 0 HG2 GLN A 32 2.164 10.881 -7.201 1.00 1.86 H new ATOM 0 HG3 GLN A 32 2.029 11.287 -5.502 1.00 1.86 H new ATOM 0 HE21 GLN A 32 5.104 10.715 -7.297 1.00 1.61 H new ATOM 0 HE22 GLN A 32 5.698 12.370 -7.125 1.00 1.61 H new ATOM 488 N THR A 33 1.231 7.290 -7.053 1.00 0.63 N ATOM 489 CA THR A 33 0.300 6.858 -8.066 1.00 0.65 C ATOM 490 C THR A 33 -1.066 6.529 -7.495 1.00 0.71 C ATOM 491 O THR A 33 -2.069 6.768 -8.155 1.00 0.81 O ATOM 492 CB THR A 33 0.929 5.684 -8.819 1.00 0.65 C ATOM 493 OG1 THR A 33 1.164 6.165 -10.097 1.00 0.67 O ATOM 494 CG2 THR A 33 0.096 4.405 -8.894 1.00 0.57 C ATOM 0 H THR A 33 2.035 6.670 -6.954 1.00 0.63 H new ATOM 0 HA THR A 33 0.114 7.674 -8.765 1.00 0.65 H new ATOM 0 HB THR A 33 1.820 5.370 -8.276 1.00 0.65 H new ATOM 0 HG1 THR A 33 0.482 5.816 -10.708 1.00 0.67 H new ATOM 0 HG21 THR A 33 0.645 3.645 -9.451 1.00 0.57 H new ATOM 0 HG22 THR A 33 -0.105 4.042 -7.886 1.00 0.57 H new ATOM 0 HG23 THR A 33 -0.847 4.614 -9.399 1.00 0.57 H new ATOM 502 N SER A 34 -1.099 5.987 -6.277 1.00 0.70 N ATOM 503 CA SER A 34 -2.335 5.739 -5.559 1.00 0.78 C ATOM 504 C SER A 34 -2.829 6.999 -4.848 1.00 0.87 C ATOM 505 O SER A 34 -3.831 6.959 -4.138 1.00 1.22 O ATOM 506 CB SER A 34 -2.116 4.627 -4.542 1.00 0.88 C ATOM 507 OG SER A 34 -1.526 3.539 -5.202 1.00 1.77 O ATOM 0 H SER A 34 -0.262 5.709 -5.765 1.00 0.70 H new ATOM 0 HA SER A 34 -3.095 5.440 -6.280 1.00 0.78 H new ATOM 0 HB2 SER A 34 -1.474 4.974 -3.732 1.00 0.88 H new ATOM 0 HB3 SER A 34 -3.064 4.331 -4.093 1.00 0.88 H new ATOM 0 HG SER A 34 -1.777 2.707 -4.749 1.00 1.77 H new ATOM 513 N GLY A 35 -2.072 8.091 -4.969 1.00 0.70 N ATOM 514 CA GLY A 35 -2.373 9.350 -4.308 1.00 0.73 C ATOM 515 C GLY A 35 -2.015 9.303 -2.824 1.00 0.64 C ATOM 516 O GLY A 35 -2.134 10.302 -2.116 1.00 0.66 O ATOM 0 H GLY A 35 -1.225 8.120 -5.536 1.00 0.70 H new ATOM 0 HA2 GLY A 35 -1.821 10.157 -4.791 1.00 0.73 H new ATOM 0 HA3 GLY A 35 -3.433 9.577 -4.421 1.00 0.73 H new ATOM 520 N LEU A 36 -1.545 8.156 -2.331 1.00 0.68 N ATOM 521 CA LEU A 36 -1.312 7.927 -0.923 1.00 0.73 C ATOM 522 C LEU A 36 -0.202 8.826 -0.377 1.00 0.83 C ATOM 523 O LEU A 36 -0.286 9.226 0.779 1.00 0.92 O ATOM 524 CB LEU A 36 -1.057 6.429 -0.667 1.00 0.87 C ATOM 525 CG LEU A 36 -2.302 5.716 -0.105 1.00 1.19 C ATOM 526 CD1 LEU A 36 -3.233 5.200 -1.202 1.00 2.31 C ATOM 527 CD2 LEU A 36 -1.902 4.551 0.806 1.00 2.17 C ATOM 0 H LEU A 36 -1.315 7.353 -2.917 1.00 0.68 H new ATOM 0 HA LEU A 36 -2.209 8.204 -0.369 1.00 0.73 H new ATOM 0 HB2 LEU A 36 -0.754 5.949 -1.598 1.00 0.87 H new ATOM 0 HB3 LEU A 36 -0.229 6.317 0.033 1.00 0.87 H new ATOM 0 HG LEU A 36 -2.845 6.466 0.471 1.00 1.19 H new ATOM 0 HD11 LEU A 36 -4.092 4.707 -0.748 1.00 2.31 H new ATOM 0 HD12 LEU A 36 -3.575 6.036 -1.812 1.00 2.31 H new ATOM 0 HD13 LEU A 36 -2.696 4.488 -1.830 1.00 2.31 H new ATOM 0 HD21 LEU A 36 -2.799 4.065 1.190 1.00 2.17 H new ATOM 0 HD22 LEU A 36 -1.313 3.831 0.238 1.00 2.17 H new ATOM 0 HD23 LEU A 36 -1.309 4.928 1.639 1.00 2.17 H new ATOM 539 N SER A 37 0.803 9.190 -1.181 1.00 0.89 N ATOM 540 CA SER A 37 1.788 10.172 -0.718 1.00 1.07 C ATOM 541 C SER A 37 1.253 11.602 -0.772 1.00 0.99 C ATOM 542 O SER A 37 1.836 12.504 -0.176 1.00 1.09 O ATOM 543 CB SER A 37 3.123 10.055 -1.465 1.00 1.48 C ATOM 544 OG SER A 37 2.996 10.463 -2.813 1.00 1.98 O ATOM 0 H SER A 37 0.954 8.833 -2.125 1.00 0.89 H new ATOM 0 HA SER A 37 1.978 9.935 0.329 1.00 1.07 H new ATOM 0 HB2 SER A 37 3.875 10.667 -0.967 1.00 1.48 H new ATOM 0 HB3 SER A 37 3.474 9.024 -1.427 1.00 1.48 H new ATOM 0 HG SER A 37 3.880 10.686 -3.172 1.00 1.98 H new ATOM 550 N LYS A 38 0.149 11.823 -1.490 1.00 0.91 N ATOM 551 CA LYS A 38 -0.515 13.111 -1.539 1.00 0.96 C ATOM 552 C LYS A 38 -1.462 13.222 -0.347 1.00 0.86 C ATOM 553 O LYS A 38 -1.620 14.300 0.224 1.00 0.98 O ATOM 554 CB LYS A 38 -1.251 13.276 -2.881 1.00 1.01 C ATOM 555 CG LYS A 38 -0.673 14.460 -3.662 1.00 1.48 C ATOM 556 CD LYS A 38 0.739 14.143 -4.188 1.00 3.04 C ATOM 557 CE LYS A 38 1.734 15.286 -3.924 1.00 4.11 C ATOM 558 NZ LYS A 38 2.658 15.490 -5.060 1.00 5.32 N ATOM 0 H LYS A 38 -0.305 11.104 -2.054 1.00 0.91 H new ATOM 0 HA LYS A 38 0.215 13.918 -1.474 1.00 0.96 H new ATOM 0 HB2 LYS A 38 -1.158 12.363 -3.469 1.00 1.01 H new ATOM 0 HB3 LYS A 38 -2.315 13.433 -2.703 1.00 1.01 H new ATOM 0 HG2 LYS A 38 -1.329 14.703 -4.498 1.00 1.48 H new ATOM 0 HG3 LYS A 38 -0.636 15.340 -3.019 1.00 1.48 H new ATOM 0 HD2 LYS A 38 1.104 13.231 -3.715 1.00 3.04 H new ATOM 0 HD3 LYS A 38 0.689 13.948 -5.259 1.00 3.04 H new ATOM 0 HE2 LYS A 38 1.185 16.208 -3.734 1.00 4.11 H new ATOM 0 HE3 LYS A 38 2.309 15.066 -3.024 1.00 4.11 H new ATOM 0 HZ1 LYS A 38 3.311 16.269 -4.841 1.00 5.32 H new ATOM 0 HZ2 LYS A 38 3.201 14.619 -5.226 1.00 5.32 H new ATOM 0 HZ3 LYS A 38 2.112 15.726 -5.913 1.00 5.32 H new ATOM 572 N MET A 39 -2.082 12.103 0.034 1.00 0.70 N ATOM 573 CA MET A 39 -2.861 12.036 1.252 1.00 0.72 C ATOM 574 C MET A 39 -2.015 12.448 2.456 1.00 0.95 C ATOM 575 O MET A 39 -0.888 11.993 2.643 1.00 1.93 O ATOM 576 CB MET A 39 -3.442 10.637 1.422 1.00 0.58 C ATOM 577 CG MET A 39 -4.555 10.310 0.419 1.00 0.67 C ATOM 578 SD MET A 39 -6.114 11.243 0.483 1.00 1.98 S ATOM 579 CE MET A 39 -5.798 12.623 -0.647 1.00 3.17 C ATOM 0 H MET A 39 -2.053 11.231 -0.494 1.00 0.70 H new ATOM 0 HA MET A 39 -3.691 12.739 1.184 1.00 0.72 H new ATOM 0 HB2 MET A 39 -2.642 9.905 1.316 1.00 0.58 H new ATOM 0 HB3 MET A 39 -3.835 10.536 2.434 1.00 0.58 H new ATOM 0 HG2 MET A 39 -4.141 10.433 -0.582 1.00 0.67 H new ATOM 0 HG3 MET A 39 -4.800 9.254 0.535 1.00 0.67 H new ATOM 0 HE1 MET A 39 -5.802 13.559 -0.088 1.00 3.17 H new ATOM 0 HE2 MET A 39 -4.827 12.489 -1.123 1.00 3.17 H new ATOM 0 HE3 MET A 39 -6.575 12.653 -1.411 1.00 3.17 H new ATOM 589 N SER A 40 -2.577 13.338 3.271 1.00 0.61 N ATOM 590 CA SER A 40 -1.936 13.830 4.474 1.00 0.59 C ATOM 591 C SER A 40 -1.891 12.720 5.524 1.00 0.48 C ATOM 592 O SER A 40 -2.701 11.795 5.476 1.00 0.44 O ATOM 593 CB SER A 40 -2.731 15.034 4.991 1.00 0.69 C ATOM 594 OG SER A 40 -3.146 15.839 3.903 1.00 1.85 O ATOM 0 H SER A 40 -3.501 13.738 3.107 1.00 0.61 H new ATOM 0 HA SER A 40 -0.912 14.138 4.261 1.00 0.59 H new ATOM 0 HB2 SER A 40 -3.599 14.693 5.555 1.00 0.69 H new ATOM 0 HB3 SER A 40 -2.117 15.620 5.675 1.00 0.69 H new ATOM 0 HG SER A 40 -3.655 16.606 4.239 1.00 1.85 H new ATOM 600 N ALA A 41 -0.994 12.850 6.510 1.00 0.52 N ATOM 601 CA ALA A 41 -0.849 11.913 7.622 1.00 0.51 C ATOM 602 C ALA A 41 -2.204 11.446 8.164 1.00 0.45 C ATOM 603 O ALA A 41 -2.401 10.259 8.394 1.00 0.44 O ATOM 604 CB ALA A 41 -0.019 12.561 8.732 1.00 0.58 C ATOM 0 H ALA A 41 -0.336 13.628 6.554 1.00 0.52 H new ATOM 0 HA ALA A 41 -0.335 11.027 7.251 1.00 0.51 H new ATOM 0 HB1 ALA A 41 0.089 11.862 9.561 1.00 0.58 H new ATOM 0 HB2 ALA A 41 0.967 12.820 8.345 1.00 0.58 H new ATOM 0 HB3 ALA A 41 -0.520 13.464 9.081 1.00 0.58 H new ATOM 610 N ASN A 42 -3.146 12.380 8.328 1.00 0.47 N ATOM 611 CA ASN A 42 -4.516 12.093 8.752 1.00 0.49 C ATOM 612 C ASN A 42 -5.100 10.945 7.922 1.00 0.41 C ATOM 613 O ASN A 42 -5.404 9.870 8.436 1.00 0.44 O ATOM 614 CB ASN A 42 -5.397 13.348 8.607 1.00 0.58 C ATOM 615 CG ASN A 42 -4.816 14.568 9.313 1.00 0.86 C ATOM 616 OD1 ASN A 42 -4.347 14.481 10.441 1.00 1.39 O ATOM 617 ND2 ASN A 42 -4.793 15.714 8.635 1.00 1.52 N ATOM 0 H ASN A 42 -2.973 13.372 8.167 1.00 0.47 H new ATOM 0 HA ASN A 42 -4.497 11.796 9.801 1.00 0.49 H new ATOM 0 HB2 ASN A 42 -5.526 13.575 7.549 1.00 0.58 H new ATOM 0 HB3 ASN A 42 -6.387 13.139 9.011 1.00 0.58 H new ATOM 0 HD21 ASN A 42 -4.378 16.546 9.054 1.00 1.52 H new ATOM 0 HD22 ASN A 42 -5.191 15.760 7.697 1.00 1.52 H new ATOM 624 N GLN A 43 -5.193 11.172 6.610 1.00 0.37 N ATOM 625 CA GLN A 43 -5.737 10.205 5.678 1.00 0.38 C ATOM 626 C GLN A 43 -4.875 8.949 5.692 1.00 0.41 C ATOM 627 O GLN A 43 -5.415 7.852 5.743 1.00 0.44 O ATOM 628 CB GLN A 43 -5.828 10.814 4.272 1.00 0.49 C ATOM 629 CG GLN A 43 -7.181 11.496 4.028 1.00 0.68 C ATOM 630 CD GLN A 43 -8.288 10.495 3.690 1.00 1.09 C ATOM 631 OE1 GLN A 43 -8.057 9.494 3.020 1.00 2.69 O ATOM 632 NE2 GLN A 43 -9.513 10.756 4.135 1.00 1.36 N ATOM 0 H GLN A 43 -4.889 12.040 6.170 1.00 0.37 H new ATOM 0 HA GLN A 43 -6.748 9.930 5.980 1.00 0.38 H new ATOM 0 HB2 GLN A 43 -5.026 11.541 4.139 1.00 0.49 H new ATOM 0 HB3 GLN A 43 -5.676 10.032 3.528 1.00 0.49 H new ATOM 0 HG2 GLN A 43 -7.465 12.061 4.916 1.00 0.68 H new ATOM 0 HG3 GLN A 43 -7.082 12.212 3.212 1.00 0.68 H new ATOM 0 HE21 GLN A 43 -9.686 11.594 4.691 1.00 1.36 H new ATOM 0 HE22 GLN A 43 -10.280 10.119 3.921 1.00 1.36 H new ATOM 641 N VAL A 44 -3.545 9.074 5.672 1.00 0.45 N ATOM 642 CA VAL A 44 -2.691 7.898 5.646 1.00 0.52 C ATOM 643 C VAL A 44 -2.953 7.025 6.889 1.00 0.52 C ATOM 644 O VAL A 44 -2.949 5.797 6.800 1.00 0.61 O ATOM 645 CB VAL A 44 -1.225 8.318 5.462 1.00 0.57 C ATOM 646 CG1 VAL A 44 -0.304 7.096 5.416 1.00 0.59 C ATOM 647 CG2 VAL A 44 -1.044 9.063 4.132 1.00 0.59 C ATOM 0 H VAL A 44 -3.049 9.965 5.673 1.00 0.45 H new ATOM 0 HA VAL A 44 -2.931 7.270 4.788 1.00 0.52 H new ATOM 0 HB VAL A 44 -0.969 8.956 6.308 1.00 0.57 H new ATOM 0 HG11 VAL A 44 0.728 7.423 5.285 1.00 0.59 H new ATOM 0 HG12 VAL A 44 -0.392 6.538 6.348 1.00 0.59 H new ATOM 0 HG13 VAL A 44 -0.590 6.456 4.582 1.00 0.59 H new ATOM 0 HG21 VAL A 44 0.000 9.354 4.017 1.00 0.59 H new ATOM 0 HG22 VAL A 44 -1.332 8.411 3.308 1.00 0.59 H new ATOM 0 HG23 VAL A 44 -1.671 9.954 4.126 1.00 0.59 H new ATOM 657 N LYS A 45 -3.240 7.642 8.039 1.00 0.50 N ATOM 658 CA LYS A 45 -3.627 6.942 9.255 1.00 0.60 C ATOM 659 C LYS A 45 -5.003 6.271 9.097 1.00 0.54 C ATOM 660 O LYS A 45 -5.183 5.120 9.505 1.00 0.61 O ATOM 661 CB LYS A 45 -3.594 7.913 10.442 1.00 0.75 C ATOM 662 CG LYS A 45 -3.510 7.156 11.772 1.00 0.86 C ATOM 663 CD LYS A 45 -3.597 8.133 12.956 1.00 1.62 C ATOM 664 CE LYS A 45 -2.397 8.014 13.905 1.00 1.74 C ATOM 665 NZ LYS A 45 -1.149 8.527 13.298 1.00 2.76 N ATOM 0 H LYS A 45 -3.208 8.656 8.147 1.00 0.50 H new ATOM 0 HA LYS A 45 -2.912 6.143 9.449 1.00 0.60 H new ATOM 0 HB2 LYS A 45 -2.738 8.581 10.346 1.00 0.75 H new ATOM 0 HB3 LYS A 45 -4.488 8.537 10.431 1.00 0.75 H new ATOM 0 HG2 LYS A 45 -4.319 6.428 11.834 1.00 0.86 H new ATOM 0 HG3 LYS A 45 -2.575 6.599 11.821 1.00 0.86 H new ATOM 0 HD2 LYS A 45 -3.657 9.153 12.577 1.00 1.62 H new ATOM 0 HD3 LYS A 45 -4.516 7.945 13.512 1.00 1.62 H new ATOM 0 HE2 LYS A 45 -2.606 8.565 14.822 1.00 1.74 H new ATOM 0 HE3 LYS A 45 -2.260 6.969 14.185 1.00 1.74 H new ATOM 0 HZ1 LYS A 45 -0.366 8.426 13.975 1.00 2.76 H new ATOM 0 HZ2 LYS A 45 -0.934 7.985 12.437 1.00 2.76 H new ATOM 0 HZ3 LYS A 45 -1.269 9.531 13.054 1.00 2.76 H new ATOM 679 N ASP A 46 -5.979 6.979 8.525 1.00 0.46 N ATOM 680 CA ASP A 46 -7.306 6.417 8.289 1.00 0.48 C ATOM 681 C ASP A 46 -7.209 5.203 7.362 1.00 0.42 C ATOM 682 O ASP A 46 -7.659 4.107 7.704 1.00 0.49 O ATOM 683 CB ASP A 46 -8.257 7.475 7.708 1.00 0.51 C ATOM 684 CG ASP A 46 -8.585 8.591 8.693 1.00 1.76 C ATOM 685 OD1 ASP A 46 -8.846 8.255 9.868 1.00 2.66 O ATOM 686 OD2 ASP A 46 -8.585 9.758 8.243 1.00 2.97 O ATOM 0 H ASP A 46 -5.872 7.945 8.217 1.00 0.46 H new ATOM 0 HA ASP A 46 -7.717 6.091 9.245 1.00 0.48 H new ATOM 0 HB2 ASP A 46 -7.807 7.908 6.815 1.00 0.51 H new ATOM 0 HB3 ASP A 46 -9.182 6.991 7.396 1.00 0.51 H new ATOM 691 N VAL A 47 -6.601 5.378 6.185 1.00 0.37 N ATOM 692 CA VAL A 47 -6.439 4.289 5.235 1.00 0.40 C ATOM 693 C VAL A 47 -5.662 3.146 5.893 1.00 0.44 C ATOM 694 O VAL A 47 -6.121 2.010 5.827 1.00 0.48 O ATOM 695 CB VAL A 47 -5.876 4.746 3.873 1.00 0.44 C ATOM 696 CG1 VAL A 47 -6.599 5.990 3.335 1.00 0.48 C ATOM 697 CG2 VAL A 47 -4.372 4.987 3.874 1.00 0.57 C ATOM 0 H VAL A 47 -6.214 6.269 5.873 1.00 0.37 H new ATOM 0 HA VAL A 47 -7.425 3.903 4.975 1.00 0.40 H new ATOM 0 HB VAL A 47 -6.066 3.905 3.206 1.00 0.44 H new ATOM 0 HG11 VAL A 47 -6.168 6.274 2.375 1.00 0.48 H new ATOM 0 HG12 VAL A 47 -7.658 5.768 3.206 1.00 0.48 H new ATOM 0 HG13 VAL A 47 -6.484 6.812 4.042 1.00 0.48 H new ATOM 0 HG21 VAL A 47 -4.054 5.305 2.881 1.00 0.57 H new ATOM 0 HG22 VAL A 47 -4.128 5.763 4.599 1.00 0.57 H new ATOM 0 HG23 VAL A 47 -3.856 4.065 4.142 1.00 0.57 H new ATOM 707 N PHE A 48 -4.549 3.439 6.587 1.00 0.47 N ATOM 708 CA PHE A 48 -3.830 2.476 7.425 1.00 0.58 C ATOM 709 C PHE A 48 -4.808 1.616 8.237 1.00 0.52 C ATOM 710 O PHE A 48 -4.783 0.392 8.122 1.00 0.53 O ATOM 711 CB PHE A 48 -2.797 3.196 8.306 1.00 0.76 C ATOM 712 CG PHE A 48 -2.343 2.435 9.535 1.00 1.90 C ATOM 713 CD1 PHE A 48 -3.099 2.508 10.721 1.00 3.73 C ATOM 714 CD2 PHE A 48 -1.208 1.609 9.485 1.00 2.55 C ATOM 715 CE1 PHE A 48 -2.841 1.619 11.778 1.00 4.96 C ATOM 716 CE2 PHE A 48 -0.872 0.822 10.600 1.00 3.82 C ATOM 717 CZ PHE A 48 -1.738 0.753 11.703 1.00 4.75 C ATOM 0 H PHE A 48 -4.121 4.365 6.579 1.00 0.47 H new ATOM 0 HA PHE A 48 -3.278 1.791 6.782 1.00 0.58 H new ATOM 0 HB2 PHE A 48 -1.922 3.423 7.697 1.00 0.76 H new ATOM 0 HB3 PHE A 48 -3.219 4.149 8.626 1.00 0.76 H new ATOM 0 HD1 PHE A 48 -3.879 3.249 10.818 1.00 3.73 H new ATOM 0 HD2 PHE A 48 -0.597 1.579 8.595 1.00 2.55 H new ATOM 0 HE1 PHE A 48 -3.487 1.602 12.643 1.00 4.96 H new ATOM 0 HE2 PHE A 48 0.055 0.269 10.608 1.00 3.82 H new ATOM 0 HZ PHE A 48 -1.557 0.037 12.491 1.00 4.75 H new ATOM 727 N ARG A 49 -5.702 2.239 9.015 1.00 0.53 N ATOM 728 CA ARG A 49 -6.692 1.478 9.777 1.00 0.54 C ATOM 729 C ARG A 49 -7.580 0.629 8.867 1.00 0.45 C ATOM 730 O ARG A 49 -7.935 -0.489 9.228 1.00 0.52 O ATOM 731 CB ARG A 49 -7.559 2.391 10.656 1.00 0.68 C ATOM 732 CG ARG A 49 -6.926 2.603 12.034 1.00 1.19 C ATOM 733 CD ARG A 49 -7.943 3.230 12.997 1.00 1.55 C ATOM 734 NE ARG A 49 -7.515 3.078 14.398 1.00 2.03 N ATOM 735 CZ ARG A 49 -6.584 3.825 15.009 1.00 2.65 C ATOM 736 NH1 ARG A 49 -5.976 4.808 14.335 1.00 3.18 N ATOM 737 NH2 ARG A 49 -6.263 3.582 16.285 1.00 3.77 N ATOM 0 H ARG A 49 -5.758 3.251 9.131 1.00 0.53 H new ATOM 0 HA ARG A 49 -6.131 0.808 10.428 1.00 0.54 H new ATOM 0 HB2 ARG A 49 -7.692 3.354 10.163 1.00 0.68 H new ATOM 0 HB3 ARG A 49 -8.550 1.953 10.772 1.00 0.68 H new ATOM 0 HG2 ARG A 49 -6.578 1.650 12.432 1.00 1.19 H new ATOM 0 HG3 ARG A 49 -6.053 3.249 11.945 1.00 1.19 H new ATOM 0 HD2 ARG A 49 -8.064 4.288 12.764 1.00 1.55 H new ATOM 0 HD3 ARG A 49 -8.917 2.760 12.858 1.00 1.55 H new ATOM 0 HE ARG A 49 -7.963 2.345 14.948 1.00 2.03 H new ATOM 0 HH11 ARG A 49 -6.221 4.986 13.361 1.00 3.18 H new ATOM 0 HH12 ARG A 49 -5.267 5.379 14.795 1.00 3.18 H new ATOM 0 HH21 ARG A 49 -6.726 2.829 16.793 1.00 3.77 H new ATOM 0 HH22 ARG A 49 -5.555 4.150 16.750 1.00 3.77 H new ATOM 751 N PHE A 50 -7.950 1.147 7.695 1.00 0.41 N ATOM 752 CA PHE A 50 -8.745 0.387 6.744 1.00 0.49 C ATOM 753 C PHE A 50 -7.964 -0.840 6.247 1.00 0.48 C ATOM 754 O PHE A 50 -8.563 -1.863 5.913 1.00 0.68 O ATOM 755 CB PHE A 50 -9.205 1.301 5.598 1.00 0.60 C ATOM 756 CG PHE A 50 -10.425 0.791 4.856 1.00 1.30 C ATOM 757 CD1 PHE A 50 -11.693 0.900 5.455 1.00 1.98 C ATOM 758 CD2 PHE A 50 -10.298 0.180 3.594 1.00 2.80 C ATOM 759 CE1 PHE A 50 -12.826 0.374 4.811 1.00 2.79 C ATOM 760 CE2 PHE A 50 -11.433 -0.335 2.944 1.00 3.77 C ATOM 761 CZ PHE A 50 -12.694 -0.254 3.560 1.00 3.46 C ATOM 0 H PHE A 50 -7.710 2.089 7.387 1.00 0.41 H new ATOM 0 HA PHE A 50 -9.641 0.008 7.236 1.00 0.49 H new ATOM 0 HB2 PHE A 50 -9.424 2.290 6.001 1.00 0.60 H new ATOM 0 HB3 PHE A 50 -8.385 1.420 4.890 1.00 0.60 H new ATOM 0 HD1 PHE A 50 -11.796 1.389 6.412 1.00 1.98 H new ATOM 0 HD2 PHE A 50 -9.328 0.107 3.125 1.00 2.80 H new ATOM 0 HE1 PHE A 50 -13.797 0.452 5.277 1.00 2.79 H new ATOM 0 HE2 PHE A 50 -11.336 -0.793 1.971 1.00 3.77 H new ATOM 0 HZ PHE A 50 -13.561 -0.674 3.072 1.00 3.46 H new ATOM 771 N ILE A 51 -6.629 -0.742 6.192 1.00 0.49 N ATOM 772 CA ILE A 51 -5.778 -1.837 5.749 1.00 0.62 C ATOM 773 C ILE A 51 -5.572 -2.865 6.865 1.00 0.54 C ATOM 774 O ILE A 51 -5.712 -4.058 6.596 1.00 1.07 O ATOM 775 CB ILE A 51 -4.407 -1.357 5.236 1.00 0.97 C ATOM 776 CG1 ILE A 51 -4.412 -0.159 4.273 1.00 1.50 C ATOM 777 CG2 ILE A 51 -3.701 -2.548 4.567 1.00 1.06 C ATOM 778 CD1 ILE A 51 -5.587 -0.088 3.295 1.00 1.11 C ATOM 0 H ILE A 51 -6.116 0.100 6.454 1.00 0.49 H new ATOM 0 HA ILE A 51 -6.302 -2.304 4.915 1.00 0.62 H new ATOM 0 HB ILE A 51 -3.882 -0.986 6.117 1.00 0.97 H new ATOM 0 HG12 ILE A 51 -4.401 0.757 4.864 1.00 1.50 H new ATOM 0 HG13 ILE A 51 -3.487 -0.177 3.697 1.00 1.50 H new ATOM 0 HG21 ILE A 51 -2.726 -2.231 4.195 1.00 1.06 H new ATOM 0 HG22 ILE A 51 -3.569 -3.349 5.295 1.00 1.06 H new ATOM 0 HG23 ILE A 51 -4.306 -2.910 3.736 1.00 1.06 H new ATOM 0 HD11 ILE A 51 -5.485 0.797 2.667 1.00 1.11 H new ATOM 0 HD12 ILE A 51 -5.593 -0.979 2.668 1.00 1.11 H new ATOM 0 HD13 ILE A 51 -6.522 -0.031 3.853 1.00 1.11 H new ATOM 790 N ASP A 52 -5.191 -2.429 8.080 1.00 0.83 N ATOM 791 CA ASP A 52 -4.883 -3.318 9.210 1.00 0.83 C ATOM 792 C ASP A 52 -6.179 -3.979 9.687 1.00 1.02 C ATOM 793 O ASP A 52 -6.736 -3.624 10.721 1.00 1.91 O ATOM 794 CB ASP A 52 -4.159 -2.561 10.348 1.00 0.88 C ATOM 795 CG ASP A 52 -3.492 -3.491 11.370 1.00 0.89 C ATOM 796 OD1 ASP A 52 -2.785 -4.428 10.941 1.00 1.76 O ATOM 797 OD2 ASP A 52 -3.626 -3.253 12.590 1.00 2.27 O ATOM 0 H ASP A 52 -5.088 -1.439 8.305 1.00 0.83 H new ATOM 0 HA ASP A 52 -4.193 -4.096 8.883 1.00 0.83 H new ATOM 0 HB2 ASP A 52 -3.402 -1.907 9.915 1.00 0.88 H new ATOM 0 HB3 ASP A 52 -4.876 -1.922 10.863 1.00 0.88 H new ATOM 802 N ASN A 53 -6.686 -4.920 8.892 1.00 0.51 N ATOM 803 CA ASN A 53 -8.010 -5.510 9.013 1.00 0.65 C ATOM 804 C ASN A 53 -8.181 -6.226 10.351 1.00 0.74 C ATOM 805 O ASN A 53 -9.281 -6.286 10.893 1.00 1.60 O ATOM 806 CB ASN A 53 -8.209 -6.466 7.832 1.00 0.88 C ATOM 807 CG ASN A 53 -9.653 -6.932 7.697 1.00 1.17 C ATOM 808 OD1 ASN A 53 -10.399 -6.387 6.884 1.00 2.01 O ATOM 809 ND2 ASN A 53 -10.058 -7.959 8.434 1.00 1.08 N ATOM 0 H ASN A 53 -6.157 -5.307 8.111 1.00 0.51 H new ATOM 0 HA ASN A 53 -8.770 -4.729 8.988 1.00 0.65 H new ATOM 0 HB2 ASN A 53 -7.903 -5.970 6.911 1.00 0.88 H new ATOM 0 HB3 ASN A 53 -7.561 -7.333 7.957 1.00 0.88 H new ATOM 0 HD21 ASN A 53 -11.009 -8.315 8.334 1.00 1.08 H new ATOM 0 HD22 ASN A 53 -9.419 -8.392 9.100 1.00 1.08 H new ATOM 816 N ASP A 54 -7.085 -6.781 10.868 1.00 0.54 N ATOM 817 CA ASP A 54 -6.978 -7.349 12.201 1.00 0.58 C ATOM 818 C ASP A 54 -7.032 -6.278 13.277 1.00 0.62 C ATOM 819 O ASP A 54 -7.546 -6.543 14.361 1.00 0.92 O ATOM 820 CB ASP A 54 -5.662 -8.136 12.297 1.00 0.82 C ATOM 821 CG ASP A 54 -4.452 -7.269 11.982 1.00 1.30 C ATOM 822 OD1 ASP A 54 -4.404 -6.658 10.896 1.00 2.22 O ATOM 823 OD2 ASP A 54 -3.488 -7.197 12.772 1.00 2.49 O ATOM 0 H ASP A 54 -6.213 -6.847 10.342 1.00 0.54 H new ATOM 0 HA ASP A 54 -7.827 -8.012 12.368 1.00 0.58 H new ATOM 0 HB2 ASP A 54 -5.560 -8.549 13.300 1.00 0.82 H new ATOM 0 HB3 ASP A 54 -5.693 -8.979 11.607 1.00 0.82 H new ATOM 828 N GLN A 55 -6.515 -5.084 12.986 1.00 0.57 N ATOM 829 CA GLN A 55 -6.450 -3.987 13.925 1.00 0.84 C ATOM 830 C GLN A 55 -5.630 -4.422 15.150 1.00 1.11 C ATOM 831 O GLN A 55 -6.159 -4.768 16.203 1.00 1.85 O ATOM 832 CB GLN A 55 -7.861 -3.425 14.179 1.00 1.01 C ATOM 833 CG GLN A 55 -7.942 -2.657 15.496 1.00 2.31 C ATOM 834 CD GLN A 55 -9.032 -1.594 15.494 1.00 2.37 C ATOM 835 OE1 GLN A 55 -8.750 -0.397 15.541 1.00 3.06 O ATOM 836 NE2 GLN A 55 -10.289 -2.022 15.447 1.00 2.48 N ATOM 0 H GLN A 55 -6.125 -4.858 12.071 1.00 0.57 H new ATOM 0 HA GLN A 55 -5.908 -3.129 13.529 1.00 0.84 H new ATOM 0 HB2 GLN A 55 -8.142 -2.766 13.357 1.00 1.01 H new ATOM 0 HB3 GLN A 55 -8.580 -4.244 14.192 1.00 1.01 H new ATOM 0 HG2 GLN A 55 -8.127 -3.359 16.309 1.00 2.31 H new ATOM 0 HG3 GLN A 55 -6.980 -2.184 15.695 1.00 2.31 H new ATOM 0 HE21 GLN A 55 -10.486 -3.022 15.409 1.00 2.48 H new ATOM 0 HE22 GLN A 55 -11.057 -1.351 15.449 1.00 2.48 H new ATOM 845 N SER A 56 -4.307 -4.383 15.000 1.00 1.17 N ATOM 846 CA SER A 56 -3.355 -4.658 16.071 1.00 1.44 C ATOM 847 C SER A 56 -2.533 -3.395 16.301 1.00 1.57 C ATOM 848 O SER A 56 -2.654 -2.712 17.315 1.00 2.38 O ATOM 849 CB SER A 56 -2.456 -5.827 15.649 1.00 1.48 C ATOM 850 OG SER A 56 -2.072 -5.670 14.295 1.00 1.39 O ATOM 0 H SER A 56 -3.860 -4.155 14.112 1.00 1.17 H new ATOM 0 HA SER A 56 -3.864 -4.932 16.995 1.00 1.44 H new ATOM 0 HB2 SER A 56 -1.572 -5.866 16.285 1.00 1.48 H new ATOM 0 HB3 SER A 56 -2.985 -6.771 15.780 1.00 1.48 H new ATOM 0 HG SER A 56 -2.408 -6.426 13.770 1.00 1.39 H new ATOM 856 N GLY A 57 -1.691 -3.121 15.312 1.00 1.19 N ATOM 857 CA GLY A 57 -0.773 -1.994 15.236 1.00 1.28 C ATOM 858 C GLY A 57 0.505 -2.359 14.478 1.00 1.21 C ATOM 859 O GLY A 57 1.577 -1.859 14.809 1.00 1.78 O ATOM 0 H GLY A 57 -1.628 -3.720 14.489 1.00 1.19 H new ATOM 0 HA2 GLY A 57 -1.264 -1.157 14.740 1.00 1.28 H new ATOM 0 HA3 GLY A 57 -0.518 -1.663 16.243 1.00 1.28 H new ATOM 863 N TYR A 58 0.393 -3.210 13.452 1.00 0.83 N ATOM 864 CA TYR A 58 1.480 -3.698 12.627 1.00 0.77 C ATOM 865 C TYR A 58 0.825 -4.189 11.341 1.00 0.74 C ATOM 866 O TYR A 58 -0.161 -4.923 11.400 1.00 0.76 O ATOM 867 CB TYR A 58 2.287 -4.806 13.327 1.00 0.85 C ATOM 868 CG TYR A 58 3.324 -4.312 14.327 1.00 0.93 C ATOM 869 CD1 TYR A 58 4.467 -3.625 13.871 1.00 1.90 C ATOM 870 CD2 TYR A 58 3.165 -4.547 15.706 1.00 2.04 C ATOM 871 CE1 TYR A 58 5.415 -3.135 14.784 1.00 2.05 C ATOM 872 CE2 TYR A 58 4.127 -4.075 16.620 1.00 2.14 C ATOM 873 CZ TYR A 58 5.242 -3.353 16.159 1.00 1.37 C ATOM 874 OH TYR A 58 6.179 -2.893 17.037 1.00 1.66 O ATOM 0 H TYR A 58 -0.510 -3.591 13.168 1.00 0.83 H new ATOM 0 HA TYR A 58 2.209 -2.913 12.426 1.00 0.77 H new ATOM 0 HB2 TYR A 58 1.593 -5.469 13.843 1.00 0.85 H new ATOM 0 HB3 TYR A 58 2.792 -5.402 12.567 1.00 0.85 H new ATOM 0 HD1 TYR A 58 4.615 -3.474 12.812 1.00 1.90 H new ATOM 0 HD2 TYR A 58 2.303 -5.091 16.064 1.00 2.04 H new ATOM 0 HE1 TYR A 58 6.277 -2.591 14.428 1.00 2.05 H new ATOM 0 HE2 TYR A 58 4.008 -4.268 17.676 1.00 2.14 H new ATOM 0 HH TYR A 58 5.912 -3.124 17.951 1.00 1.66 H new ATOM 884 N LEU A 59 1.335 -3.746 10.195 1.00 0.76 N ATOM 885 CA LEU A 59 1.052 -4.297 8.882 1.00 0.69 C ATOM 886 C LEU A 59 2.046 -5.434 8.704 1.00 0.67 C ATOM 887 O LEU A 59 3.064 -5.311 8.022 1.00 0.67 O ATOM 888 CB LEU A 59 1.190 -3.216 7.800 1.00 0.68 C ATOM 889 CG LEU A 59 -0.083 -2.374 7.616 1.00 0.88 C ATOM 890 CD1 LEU A 59 -1.143 -3.113 6.799 1.00 1.52 C ATOM 891 CD2 LEU A 59 -0.708 -1.958 8.945 1.00 2.01 C ATOM 0 H LEU A 59 1.984 -2.960 10.160 1.00 0.76 H new ATOM 0 HA LEU A 59 0.029 -4.663 8.792 1.00 0.69 H new ATOM 0 HB2 LEU A 59 2.019 -2.557 8.058 1.00 0.68 H new ATOM 0 HB3 LEU A 59 1.443 -3.691 6.852 1.00 0.68 H new ATOM 0 HG LEU A 59 0.240 -1.482 7.080 1.00 0.88 H new ATOM 0 HD11 LEU A 59 -2.026 -2.482 6.693 1.00 1.52 H new ATOM 0 HD12 LEU A 59 -0.744 -3.347 5.812 1.00 1.52 H new ATOM 0 HD13 LEU A 59 -1.416 -4.037 7.309 1.00 1.52 H new ATOM 0 HD21 LEU A 59 -1.603 -1.366 8.756 1.00 2.01 H new ATOM 0 HD22 LEU A 59 -0.975 -2.847 9.516 1.00 2.01 H new ATOM 0 HD23 LEU A 59 0.007 -1.363 9.513 1.00 2.01 H new ATOM 903 N ASP A 60 1.742 -6.527 9.395 1.00 0.76 N ATOM 904 CA ASP A 60 2.472 -7.776 9.335 1.00 0.83 C ATOM 905 C ASP A 60 2.515 -8.223 7.864 1.00 0.80 C ATOM 906 O ASP A 60 1.492 -8.158 7.182 1.00 0.75 O ATOM 907 CB ASP A 60 1.765 -8.803 10.241 1.00 0.91 C ATOM 908 CG ASP A 60 1.161 -8.208 11.521 1.00 1.19 C ATOM 909 OD1 ASP A 60 0.089 -7.552 11.413 1.00 1.62 O ATOM 910 OD2 ASP A 60 1.795 -8.376 12.583 1.00 1.62 O ATOM 0 H ASP A 60 0.949 -6.563 10.035 1.00 0.76 H new ATOM 0 HA ASP A 60 3.496 -7.673 9.693 1.00 0.83 H new ATOM 0 HB2 ASP A 60 0.973 -9.288 9.671 1.00 0.91 H new ATOM 0 HB3 ASP A 60 2.479 -9.579 10.517 1.00 0.91 H new ATOM 915 N GLU A 61 3.677 -8.634 7.343 1.00 1.01 N ATOM 916 CA GLU A 61 3.911 -8.763 5.902 1.00 1.23 C ATOM 917 C GLU A 61 2.801 -9.524 5.179 1.00 1.04 C ATOM 918 O GLU A 61 2.344 -9.110 4.116 1.00 1.02 O ATOM 919 CB GLU A 61 5.250 -9.441 5.618 1.00 1.62 C ATOM 920 CG GLU A 61 6.388 -8.673 6.289 1.00 2.57 C ATOM 921 CD GLU A 61 6.797 -9.345 7.587 1.00 4.26 C ATOM 922 OE1 GLU A 61 6.028 -9.189 8.561 1.00 5.59 O ATOM 923 OE2 GLU A 61 7.835 -10.038 7.559 1.00 4.74 O ATOM 0 H GLU A 61 4.484 -8.887 7.913 1.00 1.01 H new ATOM 0 HA GLU A 61 3.923 -7.744 5.515 1.00 1.23 H new ATOM 0 HB2 GLU A 61 5.230 -10.468 5.984 1.00 1.62 H new ATOM 0 HB3 GLU A 61 5.420 -9.489 4.542 1.00 1.62 H new ATOM 0 HG2 GLU A 61 7.244 -8.620 5.616 1.00 2.57 H new ATOM 0 HG3 GLU A 61 6.074 -7.648 6.487 1.00 2.57 H new ATOM 930 N GLU A 62 2.387 -10.655 5.749 1.00 1.04 N ATOM 931 CA GLU A 62 1.386 -11.518 5.145 1.00 1.13 C ATOM 932 C GLU A 62 0.085 -10.755 4.858 1.00 0.95 C ATOM 933 O GLU A 62 -0.584 -11.020 3.865 1.00 1.12 O ATOM 934 CB GLU A 62 1.194 -12.762 6.024 1.00 1.39 C ATOM 935 CG GLU A 62 0.369 -13.838 5.308 1.00 1.42 C ATOM 936 CD GLU A 62 0.586 -15.208 5.934 1.00 1.99 C ATOM 937 OE1 GLU A 62 -0.042 -15.460 6.984 1.00 2.63 O ATOM 938 OE2 GLU A 62 1.390 -15.968 5.352 1.00 3.05 O ATOM 0 H GLU A 62 2.740 -10.995 6.644 1.00 1.04 H new ATOM 0 HA GLU A 62 1.731 -11.860 4.169 1.00 1.13 H new ATOM 0 HB2 GLU A 62 2.168 -13.170 6.295 1.00 1.39 H new ATOM 0 HB3 GLU A 62 0.697 -12.479 6.952 1.00 1.39 H new ATOM 0 HG2 GLU A 62 -0.689 -13.578 5.353 1.00 1.42 H new ATOM 0 HG3 GLU A 62 0.645 -13.869 4.254 1.00 1.42 H new ATOM 945 N GLU A 63 -0.256 -9.752 5.667 1.00 0.77 N ATOM 946 CA GLU A 63 -1.433 -8.936 5.422 1.00 0.79 C ATOM 947 C GLU A 63 -1.267 -8.106 4.152 1.00 0.63 C ATOM 948 O GLU A 63 -2.235 -7.891 3.425 1.00 0.70 O ATOM 949 CB GLU A 63 -1.678 -8.028 6.618 1.00 0.94 C ATOM 950 CG GLU A 63 -1.859 -8.872 7.881 1.00 1.61 C ATOM 951 CD GLU A 63 -1.927 -7.993 9.100 1.00 1.03 C ATOM 952 OE1 GLU A 63 -1.577 -6.793 9.039 1.00 1.88 O ATOM 953 OE2 GLU A 63 -2.316 -8.469 10.183 1.00 1.87 O ATOM 0 H GLU A 63 0.272 -9.489 6.499 1.00 0.77 H new ATOM 0 HA GLU A 63 -2.292 -9.592 5.283 1.00 0.79 H new ATOM 0 HB2 GLU A 63 -0.839 -7.343 6.744 1.00 0.94 H new ATOM 0 HB3 GLU A 63 -2.565 -7.418 6.447 1.00 0.94 H new ATOM 0 HG2 GLU A 63 -2.771 -9.464 7.802 1.00 1.61 H new ATOM 0 HG3 GLU A 63 -1.031 -9.574 7.978 1.00 1.61 H new ATOM 960 N LEU A 64 -0.044 -7.656 3.856 1.00 0.57 N ATOM 961 CA LEU A 64 0.214 -6.925 2.624 1.00 0.67 C ATOM 962 C LEU A 64 -0.063 -7.810 1.410 1.00 0.64 C ATOM 963 O LEU A 64 -0.517 -7.314 0.384 1.00 0.96 O ATOM 964 CB LEU A 64 1.622 -6.320 2.598 1.00 0.94 C ATOM 965 CG LEU A 64 1.852 -5.302 3.729 1.00 1.54 C ATOM 966 CD1 LEU A 64 3.327 -4.904 3.742 1.00 2.07 C ATOM 967 CD2 LEU A 64 0.994 -4.042 3.555 1.00 2.74 C ATOM 0 H LEU A 64 0.774 -7.787 4.451 1.00 0.57 H new ATOM 0 HA LEU A 64 -0.474 -6.081 2.581 1.00 0.67 H new ATOM 0 HB2 LEU A 64 2.358 -7.120 2.679 1.00 0.94 H new ATOM 0 HB3 LEU A 64 1.786 -5.832 1.637 1.00 0.94 H new ATOM 0 HG LEU A 64 1.565 -5.773 4.669 1.00 1.54 H new ATOM 0 HD11 LEU A 64 3.502 -4.182 4.540 1.00 2.07 H new ATOM 0 HD12 LEU A 64 3.941 -5.789 3.911 1.00 2.07 H new ATOM 0 HD13 LEU A 64 3.592 -4.457 2.784 1.00 2.07 H new ATOM 0 HD21 LEU A 64 1.190 -3.352 4.376 1.00 2.74 H new ATOM 0 HD22 LEU A 64 1.243 -3.560 2.609 1.00 2.74 H new ATOM 0 HD23 LEU A 64 -0.061 -4.317 3.556 1.00 2.74 H new ATOM 979 N LYS A 65 0.104 -9.130 1.539 1.00 0.67 N ATOM 980 CA LYS A 65 -0.305 -10.077 0.506 1.00 0.81 C ATOM 981 C LYS A 65 -1.821 -10.024 0.226 1.00 0.78 C ATOM 982 O LYS A 65 -2.282 -10.640 -0.733 1.00 1.07 O ATOM 983 CB LYS A 65 0.191 -11.485 0.877 1.00 1.14 C ATOM 984 CG LYS A 65 0.114 -12.481 -0.283 1.00 1.31 C ATOM 985 CD LYS A 65 0.932 -13.734 0.048 1.00 1.79 C ATOM 986 CE LYS A 65 0.563 -14.853 -0.936 1.00 3.35 C ATOM 987 NZ LYS A 65 1.552 -15.948 -0.936 1.00 4.10 N ATOM 0 H LYS A 65 0.525 -9.567 2.359 1.00 0.67 H new ATOM 0 HA LYS A 65 0.162 -9.792 -0.437 1.00 0.81 H new ATOM 0 HB2 LYS A 65 1.223 -11.420 1.222 1.00 1.14 H new ATOM 0 HB3 LYS A 65 -0.401 -11.863 1.711 1.00 1.14 H new ATOM 0 HG2 LYS A 65 -0.924 -12.754 -0.471 1.00 1.31 H new ATOM 0 HG3 LYS A 65 0.493 -12.020 -1.195 1.00 1.31 H new ATOM 0 HD2 LYS A 65 1.998 -13.514 -0.016 1.00 1.79 H new ATOM 0 HD3 LYS A 65 0.733 -14.053 1.071 1.00 1.79 H new ATOM 0 HE2 LYS A 65 -0.418 -15.252 -0.677 1.00 3.35 H new ATOM 0 HE3 LYS A 65 0.483 -14.438 -1.941 1.00 3.35 H new ATOM 0 HZ1 LYS A 65 1.181 -16.751 -1.482 1.00 4.10 H new ATOM 0 HZ2 LYS A 65 2.438 -15.616 -1.368 1.00 4.10 H new ATOM 0 HZ3 LYS A 65 1.736 -16.250 0.042 1.00 4.10 H new ATOM 1001 N PHE A 66 -2.601 -9.273 1.018 1.00 0.63 N ATOM 1002 CA PHE A 66 -3.988 -8.941 0.722 1.00 0.72 C ATOM 1003 C PHE A 66 -4.275 -7.465 1.056 1.00 0.70 C ATOM 1004 O PHE A 66 -5.364 -7.138 1.527 1.00 1.01 O ATOM 1005 CB PHE A 66 -4.896 -9.918 1.487 1.00 1.01 C ATOM 1006 CG PHE A 66 -6.278 -10.099 0.887 1.00 2.08 C ATOM 1007 CD1 PHE A 66 -6.451 -10.967 -0.207 1.00 3.64 C ATOM 1008 CD2 PHE A 66 -7.386 -9.403 1.407 1.00 3.07 C ATOM 1009 CE1 PHE A 66 -7.716 -11.110 -0.803 1.00 5.29 C ATOM 1010 CE2 PHE A 66 -8.653 -9.550 0.814 1.00 4.81 C ATOM 1011 CZ PHE A 66 -8.817 -10.400 -0.294 1.00 5.73 C ATOM 0 H PHE A 66 -2.271 -8.875 1.898 1.00 0.63 H new ATOM 0 HA PHE A 66 -4.192 -9.051 -0.343 1.00 0.72 H new ATOM 0 HB2 PHE A 66 -4.404 -10.890 1.533 1.00 1.01 H new ATOM 0 HB3 PHE A 66 -5.003 -9.566 2.513 1.00 1.01 H new ATOM 0 HD1 PHE A 66 -5.609 -11.525 -0.590 1.00 3.64 H new ATOM 0 HD2 PHE A 66 -7.263 -8.755 2.262 1.00 3.07 H new ATOM 0 HE1 PHE A 66 -7.842 -11.765 -1.652 1.00 5.29 H new ATOM 0 HE2 PHE A 66 -9.500 -9.010 1.210 1.00 4.81 H new ATOM 0 HZ PHE A 66 -9.788 -10.507 -0.754 1.00 5.73 H new ATOM 1021 N PHE A 67 -3.320 -6.558 0.808 1.00 0.54 N ATOM 1022 CA PHE A 67 -3.520 -5.130 1.059 1.00 0.64 C ATOM 1023 C PHE A 67 -4.404 -4.525 -0.030 1.00 0.66 C ATOM 1024 O PHE A 67 -5.589 -4.293 0.191 1.00 1.00 O ATOM 1025 CB PHE A 67 -2.170 -4.404 1.214 1.00 0.76 C ATOM 1026 CG PHE A 67 -2.104 -2.924 0.859 1.00 0.85 C ATOM 1027 CD1 PHE A 67 -3.137 -2.042 1.227 1.00 2.52 C ATOM 1028 CD2 PHE A 67 -1.022 -2.440 0.101 1.00 1.64 C ATOM 1029 CE1 PHE A 67 -3.065 -0.684 0.879 1.00 2.76 C ATOM 1030 CE2 PHE A 67 -0.957 -1.081 -0.251 1.00 1.75 C ATOM 1031 CZ PHE A 67 -1.968 -0.196 0.154 1.00 1.52 C ATOM 0 H PHE A 67 -2.401 -6.792 0.433 1.00 0.54 H new ATOM 0 HA PHE A 67 -4.044 -4.999 2.006 1.00 0.64 H new ATOM 0 HB2 PHE A 67 -1.851 -4.512 2.251 1.00 0.76 H new ATOM 0 HB3 PHE A 67 -1.438 -4.927 0.599 1.00 0.76 H new ATOM 0 HD1 PHE A 67 -3.988 -2.411 1.779 1.00 2.52 H new ATOM 0 HD2 PHE A 67 -0.239 -3.115 -0.211 1.00 1.64 H new ATOM 0 HE1 PHE A 67 -3.858 -0.012 1.171 1.00 2.76 H new ATOM 0 HE2 PHE A 67 -0.125 -0.716 -0.836 1.00 1.75 H new ATOM 0 HZ PHE A 67 -1.902 0.854 -0.091 1.00 1.52 H new ATOM 1041 N LEU A 68 -3.835 -4.237 -1.198 1.00 0.55 N ATOM 1042 CA LEU A 68 -4.475 -3.459 -2.254 1.00 0.70 C ATOM 1043 C LEU A 68 -5.731 -4.182 -2.767 1.00 0.81 C ATOM 1044 O LEU A 68 -6.638 -3.543 -3.286 1.00 0.86 O ATOM 1045 CB LEU A 68 -3.402 -3.207 -3.319 1.00 1.02 C ATOM 1046 CG LEU A 68 -3.479 -2.060 -4.336 1.00 1.16 C ATOM 1047 CD1 LEU A 68 -2.155 -2.129 -5.104 1.00 2.45 C ATOM 1048 CD2 LEU A 68 -4.573 -2.104 -5.408 1.00 2.15 C ATOM 0 H LEU A 68 -2.894 -4.546 -1.442 1.00 0.55 H new ATOM 0 HA LEU A 68 -4.844 -2.495 -1.904 1.00 0.70 H new ATOM 0 HB2 LEU A 68 -2.460 -3.082 -2.784 1.00 1.02 H new ATOM 0 HB3 LEU A 68 -3.320 -4.127 -3.898 1.00 1.02 H new ATOM 0 HG LEU A 68 -3.697 -1.167 -3.750 1.00 1.16 H new ATOM 0 HD11 LEU A 68 -2.128 -1.339 -5.855 1.00 2.45 H new ATOM 0 HD12 LEU A 68 -1.325 -1.999 -4.410 1.00 2.45 H new ATOM 0 HD13 LEU A 68 -2.069 -3.099 -5.594 1.00 2.45 H new ATOM 0 HD21 LEU A 68 -4.492 -1.224 -6.046 1.00 2.15 H new ATOM 0 HD22 LEU A 68 -4.454 -3.003 -6.012 1.00 2.15 H new ATOM 0 HD23 LEU A 68 -5.552 -2.116 -4.929 1.00 2.15 H new ATOM 1060 N GLN A 69 -5.853 -5.497 -2.542 1.00 0.91 N ATOM 1061 CA GLN A 69 -7.103 -6.240 -2.711 1.00 0.96 C ATOM 1062 C GLN A 69 -8.298 -5.516 -2.060 1.00 1.05 C ATOM 1063 O GLN A 69 -9.390 -5.526 -2.622 1.00 1.46 O ATOM 1064 CB GLN A 69 -6.945 -7.647 -2.109 1.00 0.90 C ATOM 1065 CG GLN A 69 -5.981 -8.533 -2.911 1.00 1.44 C ATOM 1066 CD GLN A 69 -6.521 -8.878 -4.296 1.00 1.47 C ATOM 1067 OE1 GLN A 69 -7.706 -9.149 -4.451 1.00 2.17 O ATOM 1068 NE2 GLN A 69 -5.663 -8.867 -5.311 1.00 1.62 N ATOM 0 H GLN A 69 -5.075 -6.080 -2.234 1.00 0.91 H new ATOM 0 HA GLN A 69 -7.311 -6.312 -3.778 1.00 0.96 H new ATOM 0 HB2 GLN A 69 -6.584 -7.560 -1.084 1.00 0.90 H new ATOM 0 HB3 GLN A 69 -7.921 -8.129 -2.063 1.00 0.90 H new ATOM 0 HG2 GLN A 69 -5.024 -8.022 -3.015 1.00 1.44 H new ATOM 0 HG3 GLN A 69 -5.793 -9.453 -2.358 1.00 1.44 H new ATOM 0 HE21 GLN A 69 -4.683 -8.637 -5.148 1.00 1.62 H new ATOM 0 HE22 GLN A 69 -5.985 -9.088 -6.253 1.00 1.62 H new ATOM 1077 N LYS A 70 -8.113 -4.872 -0.895 1.00 0.84 N ATOM 1078 CA LYS A 70 -9.158 -4.045 -0.284 1.00 0.91 C ATOM 1079 C LYS A 70 -9.642 -2.962 -1.250 1.00 0.99 C ATOM 1080 O LYS A 70 -10.816 -2.601 -1.243 1.00 1.33 O ATOM 1081 CB LYS A 70 -8.674 -3.362 1.018 1.00 1.11 C ATOM 1082 CG LYS A 70 -9.377 -3.896 2.268 1.00 1.32 C ATOM 1083 CD LYS A 70 -8.786 -5.242 2.709 1.00 1.31 C ATOM 1084 CE LYS A 70 -9.844 -6.099 3.412 1.00 1.80 C ATOM 1085 NZ LYS A 70 -10.529 -5.386 4.511 1.00 2.76 N ATOM 0 H LYS A 70 -7.246 -4.911 -0.359 1.00 0.84 H new ATOM 0 HA LYS A 70 -9.978 -4.722 -0.044 1.00 0.91 H new ATOM 0 HB2 LYS A 70 -7.599 -3.509 1.121 1.00 1.11 H new ATOM 0 HB3 LYS A 70 -8.843 -2.288 0.943 1.00 1.11 H new ATOM 0 HG2 LYS A 70 -9.283 -3.172 3.078 1.00 1.32 H new ATOM 0 HG3 LYS A 70 -10.442 -4.013 2.067 1.00 1.32 H new ATOM 0 HD2 LYS A 70 -8.398 -5.775 1.841 1.00 1.31 H new ATOM 0 HD3 LYS A 70 -7.945 -5.072 3.381 1.00 1.31 H new ATOM 0 HE2 LYS A 70 -10.584 -6.425 2.681 1.00 1.80 H new ATOM 0 HE3 LYS A 70 -9.371 -6.997 3.809 1.00 1.80 H new ATOM 0 HZ1 LYS A 70 -10.624 -6.020 5.330 1.00 2.76 H new ATOM 0 HZ2 LYS A 70 -9.973 -4.550 4.782 1.00 2.76 H new ATOM 0 HZ3 LYS A 70 -11.473 -5.086 4.195 1.00 2.76 H new ATOM 1099 N PHE A 71 -8.713 -2.391 -2.015 1.00 0.94 N ATOM 1100 CA PHE A 71 -8.980 -1.313 -2.945 1.00 1.07 C ATOM 1101 C PHE A 71 -9.590 -1.878 -4.227 1.00 1.19 C ATOM 1102 O PHE A 71 -10.614 -1.374 -4.683 1.00 1.47 O ATOM 1103 CB PHE A 71 -7.684 -0.563 -3.286 1.00 1.13 C ATOM 1104 CG PHE A 71 -6.839 0.019 -2.165 1.00 1.43 C ATOM 1105 CD1 PHE A 71 -7.321 0.129 -0.848 1.00 2.07 C ATOM 1106 CD2 PHE A 71 -5.607 0.609 -2.502 1.00 2.77 C ATOM 1107 CE1 PHE A 71 -6.607 0.880 0.100 1.00 2.78 C ATOM 1108 CE2 PHE A 71 -4.915 1.394 -1.566 1.00 3.21 C ATOM 1109 CZ PHE A 71 -5.440 1.567 -0.275 1.00 2.85 C ATOM 0 H PHE A 71 -7.734 -2.677 -2.000 1.00 0.94 H new ATOM 0 HA PHE A 71 -9.679 -0.618 -2.479 1.00 1.07 H new ATOM 0 HB2 PHE A 71 -7.050 -1.246 -3.852 1.00 1.13 H new ATOM 0 HB3 PHE A 71 -7.947 0.256 -3.956 1.00 1.13 H new ATOM 0 HD1 PHE A 71 -8.240 -0.364 -0.566 1.00 2.07 H new ATOM 0 HD2 PHE A 71 -5.191 0.457 -3.487 1.00 2.77 H new ATOM 0 HE1 PHE A 71 -6.956 0.930 1.121 1.00 2.78 H new ATOM 0 HE2 PHE A 71 -3.981 1.864 -1.838 1.00 3.21 H new ATOM 0 HZ PHE A 71 -4.949 2.225 0.427 1.00 2.85 H new ATOM 1119 N GLU A 72 -8.930 -2.879 -4.824 1.00 1.09 N ATOM 1120 CA GLU A 72 -9.328 -3.455 -6.099 1.00 1.25 C ATOM 1121 C GLU A 72 -8.904 -4.926 -6.163 1.00 1.95 C ATOM 1122 O GLU A 72 -7.763 -5.263 -5.849 1.00 3.33 O ATOM 1123 CB GLU A 72 -8.715 -2.645 -7.256 1.00 1.28 C ATOM 1124 CG GLU A 72 -9.701 -2.518 -8.425 1.00 1.39 C ATOM 1125 CD GLU A 72 -10.106 -3.890 -8.933 1.00 1.97 C ATOM 1126 OE1 GLU A 72 -9.277 -4.484 -9.653 1.00 2.97 O ATOM 1127 OE2 GLU A 72 -11.144 -4.405 -8.463 1.00 3.13 O ATOM 0 H GLU A 72 -8.097 -3.311 -4.425 1.00 1.09 H new ATOM 0 HA GLU A 72 -10.413 -3.412 -6.194 1.00 1.25 H new ATOM 0 HB2 GLU A 72 -8.437 -1.653 -6.902 1.00 1.28 H new ATOM 0 HB3 GLU A 72 -7.801 -3.129 -7.599 1.00 1.28 H new ATOM 0 HG2 GLU A 72 -10.585 -1.967 -8.104 1.00 1.39 H new ATOM 0 HG3 GLU A 72 -9.245 -1.945 -9.232 1.00 1.39 H new ATOM 1134 N SER A 73 -9.803 -5.798 -6.622 1.00 1.57 N ATOM 1135 CA SER A 73 -9.577 -7.233 -6.743 1.00 1.94 C ATOM 1136 C SER A 73 -8.385 -7.542 -7.658 1.00 2.18 C ATOM 1137 O SER A 73 -7.706 -8.555 -7.491 1.00 2.87 O ATOM 1138 CB SER A 73 -10.854 -7.889 -7.286 1.00 2.36 C ATOM 1139 OG SER A 73 -10.769 -9.300 -7.210 1.00 3.61 O ATOM 0 H SER A 73 -10.734 -5.514 -6.928 1.00 1.57 H new ATOM 0 HA SER A 73 -9.339 -7.637 -5.759 1.00 1.94 H new ATOM 0 HB2 SER A 73 -11.716 -7.542 -6.717 1.00 2.36 H new ATOM 0 HB3 SER A 73 -11.012 -7.585 -8.321 1.00 2.36 H new ATOM 0 HG SER A 73 -11.594 -9.697 -7.560 1.00 3.61 H new ATOM 1145 N GLY A 74 -8.142 -6.675 -8.642 1.00 2.37 N ATOM 1146 CA GLY A 74 -7.133 -6.833 -9.677 1.00 2.77 C ATOM 1147 C GLY A 74 -5.785 -6.277 -9.231 1.00 2.22 C ATOM 1148 O GLY A 74 -4.901 -6.050 -10.056 1.00 2.54 O ATOM 0 H GLY A 74 -8.669 -5.807 -8.739 1.00 2.37 H new ATOM 0 HA2 GLY A 74 -7.028 -7.889 -9.926 1.00 2.77 H new ATOM 0 HA3 GLY A 74 -7.457 -6.322 -10.584 1.00 2.77 H new ATOM 1152 N ALA A 75 -5.624 -6.058 -7.924 1.00 1.59 N ATOM 1153 CA ALA A 75 -4.359 -5.706 -7.324 1.00 1.22 C ATOM 1154 C ALA A 75 -3.287 -6.770 -7.570 1.00 1.12 C ATOM 1155 O ALA A 75 -3.573 -7.864 -8.052 1.00 1.42 O ATOM 1156 CB ALA A 75 -4.590 -5.550 -5.831 1.00 0.95 C ATOM 0 H ALA A 75 -6.388 -6.124 -7.252 1.00 1.59 H new ATOM 0 HA ALA A 75 -3.997 -4.781 -7.773 1.00 1.22 H new ATOM 0 HB1 ALA A 75 -3.652 -5.283 -5.344 1.00 0.95 H new ATOM 0 HB2 ALA A 75 -5.326 -4.765 -5.657 1.00 0.95 H new ATOM 0 HB3 ALA A 75 -4.958 -6.490 -5.420 1.00 0.95 H new ATOM 1162 N ARG A 76 -2.042 -6.451 -7.209 1.00 1.05 N ATOM 1163 CA ARG A 76 -0.904 -7.326 -7.445 1.00 0.91 C ATOM 1164 C ARG A 76 -0.664 -8.303 -6.302 1.00 0.64 C ATOM 1165 O ARG A 76 -0.097 -9.361 -6.549 1.00 0.96 O ATOM 1166 CB ARG A 76 0.359 -6.499 -7.662 1.00 1.21 C ATOM 1167 CG ARG A 76 0.263 -5.522 -8.834 1.00 1.72 C ATOM 1168 CD ARG A 76 -0.195 -6.186 -10.141 1.00 1.37 C ATOM 1169 NE ARG A 76 0.584 -7.392 -10.478 1.00 1.38 N ATOM 1170 CZ ARG A 76 0.424 -8.114 -11.593 1.00 2.42 C ATOM 1171 NH1 ARG A 76 -0.463 -7.729 -12.514 1.00 2.95 N ATOM 1172 NH2 ARG A 76 1.165 -9.209 -11.764 1.00 3.82 N ATOM 0 H ARG A 76 -1.800 -5.576 -6.744 1.00 1.05 H new ATOM 0 HA ARG A 76 -1.139 -7.907 -8.337 1.00 0.91 H new ATOM 0 HB2 ARG A 76 0.577 -5.940 -6.752 1.00 1.21 H new ATOM 0 HB3 ARG A 76 1.199 -7.173 -7.831 1.00 1.21 H new ATOM 0 HG2 ARG A 76 -0.433 -4.724 -8.577 1.00 1.72 H new ATOM 0 HG3 ARG A 76 1.236 -5.058 -8.992 1.00 1.72 H new ATOM 0 HD2 ARG A 76 -1.249 -6.452 -10.057 1.00 1.37 H new ATOM 0 HD3 ARG A 76 -0.112 -5.467 -10.956 1.00 1.37 H new ATOM 0 HE ARG A 76 1.295 -7.697 -9.814 1.00 1.38 H new ATOM 0 HH11 ARG A 76 -1.017 -6.886 -12.367 1.00 2.95 H new ATOM 0 HH12 ARG A 76 -0.586 -8.278 -13.365 1.00 2.95 H new ATOM 0 HH21 ARG A 76 1.840 -9.484 -11.051 1.00 3.82 H new ATOM 0 HH22 ARG A 76 1.056 -9.772 -12.608 1.00 3.82 H new ATOM 1186 N GLU A 77 -1.065 -7.929 -5.082 1.00 0.85 N ATOM 1187 CA GLU A 77 -0.738 -8.527 -3.790 1.00 0.70 C ATOM 1188 C GLU A 77 -0.422 -10.021 -3.810 1.00 0.48 C ATOM 1189 O GLU A 77 0.498 -10.476 -3.134 1.00 0.50 O ATOM 1190 CB GLU A 77 -1.852 -8.261 -2.770 1.00 0.81 C ATOM 1191 CG GLU A 77 -2.544 -6.903 -2.899 1.00 1.29 C ATOM 1192 CD GLU A 77 -1.565 -5.744 -2.972 1.00 2.46 C ATOM 1193 OE1 GLU A 77 -1.139 -5.462 -4.115 1.00 3.20 O ATOM 1194 OE2 GLU A 77 -1.361 -5.116 -1.911 1.00 3.39 O ATOM 0 H GLU A 77 -1.683 -7.126 -4.968 1.00 0.85 H new ATOM 0 HA GLU A 77 0.190 -8.034 -3.500 1.00 0.70 H new ATOM 0 HB2 GLU A 77 -2.604 -9.044 -2.865 1.00 0.81 H new ATOM 0 HB3 GLU A 77 -1.432 -8.343 -1.768 1.00 0.81 H new ATOM 0 HG2 GLU A 77 -3.167 -6.902 -3.793 1.00 1.29 H new ATOM 0 HG3 GLU A 77 -3.208 -6.757 -2.047 1.00 1.29 H new ATOM 1201 N LEU A 78 -1.238 -10.762 -4.559 1.00 0.41 N ATOM 1202 CA LEU A 78 -1.101 -12.175 -4.842 1.00 0.40 C ATOM 1203 C LEU A 78 0.368 -12.524 -5.091 1.00 0.41 C ATOM 1204 O LEU A 78 0.906 -13.403 -4.419 1.00 0.59 O ATOM 1205 CB LEU A 78 -1.949 -12.590 -6.061 1.00 0.59 C ATOM 1206 CG LEU A 78 -3.371 -12.009 -6.210 1.00 1.00 C ATOM 1207 CD1 LEU A 78 -4.141 -11.905 -4.888 1.00 1.14 C ATOM 1208 CD2 LEU A 78 -3.400 -10.680 -6.981 1.00 1.20 C ATOM 0 H LEU A 78 -2.060 -10.359 -5.008 1.00 0.41 H new ATOM 0 HA LEU A 78 -1.463 -12.724 -3.973 1.00 0.40 H new ATOM 0 HB2 LEU A 78 -1.389 -12.326 -6.958 1.00 0.59 H new ATOM 0 HB3 LEU A 78 -2.036 -13.676 -6.048 1.00 0.59 H new ATOM 0 HG LEU A 78 -3.901 -12.745 -6.815 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -5.131 -11.488 -5.075 1.00 1.14 H new ATOM 0 HD12 LEU A 78 -4.242 -12.897 -4.447 1.00 1.14 H new ATOM 0 HD13 LEU A 78 -3.598 -11.256 -4.201 1.00 1.14 H new ATOM 0 HD21 LEU A 78 -4.427 -10.323 -7.052 1.00 1.20 H new ATOM 0 HD22 LEU A 78 -2.795 -9.941 -6.456 1.00 1.20 H new ATOM 0 HD23 LEU A 78 -2.999 -10.832 -7.983 1.00 1.20 H new ATOM 1220 N THR A 79 1.007 -11.845 -6.049 1.00 0.48 N ATOM 1221 CA THR A 79 2.419 -12.038 -6.308 1.00 0.63 C ATOM 1222 C THR A 79 3.228 -11.368 -5.216 1.00 0.41 C ATOM 1223 O THR A 79 3.061 -10.187 -4.890 1.00 0.47 O ATOM 1224 CB THR A 79 2.885 -11.434 -7.629 1.00 0.91 C ATOM 1225 OG1 THR A 79 1.834 -11.186 -8.512 1.00 0.79 O ATOM 1226 CG2 THR A 79 3.948 -12.289 -8.321 1.00 1.56 C ATOM 0 H THR A 79 0.559 -11.157 -6.654 1.00 0.48 H new ATOM 0 HA THR A 79 2.569 -13.117 -6.345 1.00 0.63 H new ATOM 0 HB THR A 79 3.333 -10.478 -7.359 1.00 0.91 H new ATOM 0 HG1 THR A 79 2.102 -10.496 -9.154 1.00 0.79 H new ATOM 0 HG21 THR A 79 4.245 -11.814 -9.256 1.00 1.56 H new ATOM 0 HG22 THR A 79 4.818 -12.385 -7.671 1.00 1.56 H new ATOM 0 HG23 THR A 79 3.540 -13.278 -8.530 1.00 1.56 H new ATOM 1234 N GLU A 80 4.191 -12.124 -4.734 1.00 0.41 N ATOM 1235 CA GLU A 80 5.056 -11.677 -3.678 1.00 0.44 C ATOM 1236 C GLU A 80 6.059 -10.654 -4.205 1.00 0.42 C ATOM 1237 O GLU A 80 6.421 -9.758 -3.459 1.00 0.50 O ATOM 1238 CB GLU A 80 5.717 -12.839 -2.939 1.00 0.65 C ATOM 1239 CG GLU A 80 4.696 -13.804 -2.314 1.00 2.15 C ATOM 1240 CD GLU A 80 4.100 -14.828 -3.274 1.00 2.52 C ATOM 1241 OE1 GLU A 80 4.366 -14.737 -4.493 1.00 3.14 O ATOM 1242 OE2 GLU A 80 3.377 -15.698 -2.736 1.00 3.46 O ATOM 0 H GLU A 80 4.392 -13.067 -5.068 1.00 0.41 H new ATOM 0 HA GLU A 80 4.444 -11.173 -2.930 1.00 0.44 H new ATOM 0 HB2 GLU A 80 6.354 -13.389 -3.632 1.00 0.65 H new ATOM 0 HB3 GLU A 80 6.364 -12.445 -2.156 1.00 0.65 H new ATOM 0 HG2 GLU A 80 5.178 -14.336 -1.493 1.00 2.15 H new ATOM 0 HG3 GLU A 80 3.884 -13.219 -1.882 1.00 2.15 H new ATOM 1249 N SER A 81 6.504 -10.748 -5.462 1.00 0.42 N ATOM 1250 CA SER A 81 7.403 -9.759 -6.052 1.00 0.53 C ATOM 1251 C SER A 81 6.822 -8.343 -5.927 1.00 0.55 C ATOM 1252 O SER A 81 7.354 -7.524 -5.173 1.00 0.55 O ATOM 1253 CB SER A 81 7.719 -10.153 -7.499 1.00 0.57 C ATOM 1254 OG SER A 81 8.211 -11.482 -7.508 1.00 1.30 O ATOM 0 H SER A 81 6.251 -11.508 -6.093 1.00 0.42 H new ATOM 0 HA SER A 81 8.345 -9.745 -5.503 1.00 0.53 H new ATOM 0 HB2 SER A 81 6.824 -10.077 -8.116 1.00 0.57 H new ATOM 0 HB3 SER A 81 8.458 -9.473 -7.924 1.00 0.57 H new ATOM 0 HG SER A 81 8.416 -11.749 -8.428 1.00 1.30 H new ATOM 1260 N GLU A 82 5.705 -8.063 -6.608 1.00 0.63 N ATOM 1261 CA GLU A 82 5.035 -6.778 -6.515 1.00 0.61 C ATOM 1262 C GLU A 82 4.825 -6.363 -5.058 1.00 0.56 C ATOM 1263 O GLU A 82 5.214 -5.261 -4.669 1.00 0.65 O ATOM 1264 CB GLU A 82 3.684 -6.818 -7.239 1.00 0.59 C ATOM 1265 CG GLU A 82 3.801 -7.017 -8.759 1.00 1.01 C ATOM 1266 CD GLU A 82 3.732 -8.480 -9.143 1.00 2.22 C ATOM 1267 OE1 GLU A 82 4.732 -9.176 -8.890 1.00 3.41 O ATOM 1268 OE2 GLU A 82 2.660 -8.895 -9.647 1.00 3.03 O ATOM 0 H GLU A 82 5.248 -8.725 -7.235 1.00 0.63 H new ATOM 0 HA GLU A 82 5.678 -6.040 -6.995 1.00 0.61 H new ATOM 0 HB2 GLU A 82 3.082 -7.625 -6.821 1.00 0.59 H new ATOM 0 HB3 GLU A 82 3.150 -5.888 -7.044 1.00 0.59 H new ATOM 0 HG2 GLU A 82 3.000 -6.472 -9.259 1.00 1.01 H new ATOM 0 HG3 GLU A 82 4.742 -6.594 -9.109 1.00 1.01 H new ATOM 1275 N THR A 83 4.213 -7.233 -4.247 1.00 0.49 N ATOM 1276 CA THR A 83 3.864 -6.841 -2.888 1.00 0.63 C ATOM 1277 C THR A 83 5.128 -6.495 -2.088 1.00 0.60 C ATOM 1278 O THR A 83 5.192 -5.491 -1.377 1.00 0.68 O ATOM 1279 CB THR A 83 2.992 -7.912 -2.206 1.00 0.78 C ATOM 1280 OG1 THR A 83 2.087 -7.281 -1.336 1.00 1.11 O ATOM 1281 CG2 THR A 83 3.736 -8.937 -1.347 1.00 1.01 C ATOM 0 H THR A 83 3.957 -8.187 -4.503 1.00 0.49 H new ATOM 0 HA THR A 83 3.256 -5.937 -2.926 1.00 0.63 H new ATOM 0 HB THR A 83 2.532 -8.447 -3.037 1.00 0.78 H new ATOM 0 HG1 THR A 83 1.527 -7.957 -0.900 1.00 1.11 H new ATOM 0 HG21 THR A 83 3.021 -9.640 -0.918 1.00 1.01 H new ATOM 0 HG22 THR A 83 4.451 -9.479 -1.965 1.00 1.01 H new ATOM 0 HG23 THR A 83 4.266 -8.423 -0.545 1.00 1.01 H new ATOM 1289 N LYS A 84 6.169 -7.321 -2.230 1.00 0.52 N ATOM 1290 CA LYS A 84 7.433 -7.117 -1.551 1.00 0.57 C ATOM 1291 C LYS A 84 8.086 -5.836 -2.039 1.00 0.60 C ATOM 1292 O LYS A 84 8.799 -5.216 -1.271 1.00 0.66 O ATOM 1293 CB LYS A 84 8.375 -8.319 -1.701 1.00 0.60 C ATOM 1294 CG LYS A 84 7.879 -9.529 -0.891 1.00 1.71 C ATOM 1295 CD LYS A 84 8.402 -9.499 0.553 1.00 2.55 C ATOM 1296 CE LYS A 84 7.703 -10.574 1.402 1.00 4.01 C ATOM 1297 NZ LYS A 84 8.302 -10.724 2.748 1.00 5.17 N ATOM 0 H LYS A 84 6.149 -8.150 -2.823 1.00 0.52 H new ATOM 0 HA LYS A 84 7.227 -7.020 -0.485 1.00 0.57 H new ATOM 0 HB2 LYS A 84 8.453 -8.592 -2.753 1.00 0.60 H new ATOM 0 HB3 LYS A 84 9.375 -8.042 -1.368 1.00 0.60 H new ATOM 0 HG2 LYS A 84 6.789 -9.540 -0.883 1.00 1.71 H new ATOM 0 HG3 LYS A 84 8.203 -10.450 -1.376 1.00 1.71 H new ATOM 0 HD2 LYS A 84 9.479 -9.666 0.559 1.00 2.55 H new ATOM 0 HD3 LYS A 84 8.229 -8.515 0.988 1.00 2.55 H new ATOM 0 HE2 LYS A 84 6.648 -10.319 1.505 1.00 4.01 H new ATOM 0 HE3 LYS A 84 7.750 -11.530 0.880 1.00 4.01 H new ATOM 0 HZ1 LYS A 84 7.896 -11.558 3.218 1.00 5.17 H new ATOM 0 HZ2 LYS A 84 9.331 -10.844 2.659 1.00 5.17 H new ATOM 0 HZ3 LYS A 84 8.100 -9.875 3.314 1.00 5.17 H new ATOM 1311 N SER A 85 7.834 -5.401 -3.271 1.00 0.60 N ATOM 1312 CA SER A 85 8.266 -4.083 -3.713 1.00 0.64 C ATOM 1313 C SER A 85 7.760 -3.006 -2.740 1.00 0.58 C ATOM 1314 O SER A 85 8.525 -2.137 -2.328 1.00 0.62 O ATOM 1315 CB SER A 85 7.805 -3.831 -5.152 1.00 0.70 C ATOM 1316 OG SER A 85 8.771 -3.090 -5.868 1.00 1.75 O ATOM 0 H SER A 85 7.334 -5.942 -3.977 1.00 0.60 H new ATOM 0 HA SER A 85 9.355 -4.036 -3.710 1.00 0.64 H new ATOM 0 HB2 SER A 85 7.626 -4.783 -5.653 1.00 0.70 H new ATOM 0 HB3 SER A 85 6.858 -3.291 -5.146 1.00 0.70 H new ATOM 0 HG SER A 85 8.426 -2.880 -6.761 1.00 1.75 H new ATOM 1322 N LEU A 86 6.486 -3.082 -2.326 1.00 0.51 N ATOM 1323 CA LEU A 86 5.966 -2.196 -1.287 1.00 0.46 C ATOM 1324 C LEU A 86 6.686 -2.469 0.030 1.00 0.40 C ATOM 1325 O LEU A 86 7.313 -1.567 0.591 1.00 0.40 O ATOM 1326 CB LEU A 86 4.446 -2.347 -1.130 1.00 0.51 C ATOM 1327 CG LEU A 86 3.863 -1.292 -0.169 1.00 1.42 C ATOM 1328 CD1 LEU A 86 2.698 -0.571 -0.850 1.00 1.94 C ATOM 1329 CD2 LEU A 86 3.380 -1.939 1.132 1.00 3.16 C ATOM 0 H LEU A 86 5.805 -3.745 -2.695 1.00 0.51 H new ATOM 0 HA LEU A 86 6.155 -1.164 -1.584 1.00 0.46 H new ATOM 0 HB2 LEU A 86 3.969 -2.254 -2.105 1.00 0.51 H new ATOM 0 HB3 LEU A 86 4.216 -3.345 -0.757 1.00 0.51 H new ATOM 0 HG LEU A 86 4.648 -0.577 0.077 1.00 1.42 H new ATOM 0 HD11 LEU A 86 2.285 0.175 -0.171 1.00 1.94 H new ATOM 0 HD12 LEU A 86 3.054 -0.080 -1.756 1.00 1.94 H new ATOM 0 HD13 LEU A 86 1.924 -1.294 -1.109 1.00 1.94 H new ATOM 0 HD21 LEU A 86 2.974 -1.172 1.791 1.00 3.16 H new ATOM 0 HD22 LEU A 86 2.605 -2.672 0.908 1.00 3.16 H new ATOM 0 HD23 LEU A 86 4.217 -2.434 1.625 1.00 3.16 H new ATOM 1341 N MET A 87 6.571 -3.713 0.514 1.00 0.41 N ATOM 1342 CA MET A 87 7.078 -4.121 1.819 1.00 0.44 C ATOM 1343 C MET A 87 8.524 -3.641 2.015 1.00 0.43 C ATOM 1344 O MET A 87 8.819 -2.886 2.934 1.00 0.61 O ATOM 1345 CB MET A 87 6.952 -5.649 1.954 1.00 0.56 C ATOM 1346 CG MET A 87 7.000 -6.145 3.402 1.00 0.83 C ATOM 1347 SD MET A 87 8.553 -5.896 4.293 1.00 2.31 S ATOM 1348 CE MET A 87 9.669 -7.021 3.434 1.00 2.76 C ATOM 0 H MET A 87 6.117 -4.468 0.000 1.00 0.41 H new ATOM 0 HA MET A 87 6.485 -3.657 2.607 1.00 0.44 H new ATOM 0 HB2 MET A 87 6.014 -5.969 1.501 1.00 0.56 H new ATOM 0 HB3 MET A 87 7.756 -6.122 1.390 1.00 0.56 H new ATOM 0 HG2 MET A 87 6.205 -5.649 3.958 1.00 0.83 H new ATOM 0 HG3 MET A 87 6.773 -7.211 3.404 1.00 0.83 H new ATOM 0 HE1 MET A 87 10.640 -7.018 3.929 1.00 2.76 H new ATOM 0 HE2 MET A 87 9.255 -8.029 3.453 1.00 2.76 H new ATOM 0 HE3 MET A 87 9.787 -6.697 2.400 1.00 2.76 H new ATOM 1358 N ALA A 88 9.400 -4.068 1.105 1.00 0.41 N ATOM 1359 CA ALA A 88 10.821 -3.773 1.020 1.00 0.43 C ATOM 1360 C ALA A 88 11.139 -2.329 1.391 1.00 0.42 C ATOM 1361 O ALA A 88 12.055 -2.081 2.169 1.00 0.49 O ATOM 1362 CB ALA A 88 11.305 -4.066 -0.409 1.00 0.50 C ATOM 0 H ALA A 88 9.103 -4.681 0.346 1.00 0.41 H new ATOM 0 HA ALA A 88 11.341 -4.407 1.739 1.00 0.43 H new ATOM 0 HB1 ALA A 88 12.370 -3.848 -0.484 1.00 0.50 H new ATOM 0 HB2 ALA A 88 11.132 -5.116 -0.644 1.00 0.50 H new ATOM 0 HB3 ALA A 88 10.756 -3.442 -1.114 1.00 0.50 H new ATOM 1368 N ALA A 89 10.408 -1.378 0.805 1.00 0.39 N ATOM 1369 CA ALA A 89 10.651 0.030 1.054 1.00 0.38 C ATOM 1370 C ALA A 89 9.963 0.462 2.345 1.00 0.36 C ATOM 1371 O ALA A 89 10.600 1.056 3.210 1.00 0.53 O ATOM 1372 CB ALA A 89 10.187 0.839 -0.153 1.00 0.47 C ATOM 0 H ALA A 89 9.644 -1.566 0.156 1.00 0.39 H new ATOM 0 HA ALA A 89 11.717 0.212 1.189 1.00 0.38 H new ATOM 0 HB1 ALA A 89 10.367 1.899 0.028 1.00 0.47 H new ATOM 0 HB2 ALA A 89 10.740 0.523 -1.037 1.00 0.47 H new ATOM 0 HB3 ALA A 89 9.122 0.674 -0.314 1.00 0.47 H new ATOM 1378 N ALA A 90 8.663 0.167 2.470 1.00 0.31 N ATOM 1379 CA ALA A 90 7.849 0.514 3.632 1.00 0.32 C ATOM 1380 C ALA A 90 8.522 0.122 4.947 1.00 0.31 C ATOM 1381 O ALA A 90 8.430 0.856 5.930 1.00 0.38 O ATOM 1382 CB ALA A 90 6.493 -0.180 3.511 1.00 0.34 C ATOM 0 H ALA A 90 8.141 -0.330 1.749 1.00 0.31 H new ATOM 0 HA ALA A 90 7.723 1.597 3.648 1.00 0.32 H new ATOM 0 HB1 ALA A 90 5.877 0.072 4.374 1.00 0.34 H new ATOM 0 HB2 ALA A 90 5.995 0.151 2.600 1.00 0.34 H new ATOM 0 HB3 ALA A 90 6.639 -1.260 3.473 1.00 0.34 H new ATOM 1388 N ASP A 91 9.164 -1.047 4.984 1.00 0.29 N ATOM 1389 CA ASP A 91 9.854 -1.514 6.169 1.00 0.33 C ATOM 1390 C ASP A 91 11.141 -0.710 6.370 1.00 0.40 C ATOM 1391 O ASP A 91 12.227 -1.157 6.006 1.00 0.91 O ATOM 1392 CB ASP A 91 10.135 -3.018 6.080 1.00 0.37 C ATOM 1393 CG ASP A 91 10.718 -3.504 7.396 1.00 0.54 C ATOM 1394 OD1 ASP A 91 9.937 -3.636 8.364 1.00 0.90 O ATOM 1395 OD2 ASP A 91 11.941 -3.728 7.483 1.00 0.61 O ATOM 0 H ASP A 91 9.215 -1.688 4.192 1.00 0.29 H new ATOM 0 HA ASP A 91 9.215 -1.358 7.038 1.00 0.33 H new ATOM 0 HB2 ASP A 91 9.215 -3.558 5.856 1.00 0.37 H new ATOM 0 HB3 ASP A 91 10.830 -3.221 5.265 1.00 0.37 H new ATOM 1400 N ASN A 92 11.047 0.467 6.990 1.00 0.93 N ATOM 1401 CA ASN A 92 12.210 1.308 7.285 1.00 1.07 C ATOM 1402 C ASN A 92 13.034 0.751 8.459 1.00 1.01 C ATOM 1403 O ASN A 92 13.571 1.531 9.242 1.00 1.30 O ATOM 1404 CB ASN A 92 11.789 2.756 7.584 1.00 1.35 C ATOM 1405 CG ASN A 92 11.017 3.421 6.455 1.00 1.61 C ATOM 1406 OD1 ASN A 92 11.602 3.946 5.513 1.00 2.94 O ATOM 1407 ND2 ASN A 92 9.692 3.428 6.559 1.00 2.28 N ATOM 0 H ASN A 92 10.162 0.865 7.303 1.00 0.93 H new ATOM 0 HA ASN A 92 12.837 1.301 6.394 1.00 1.07 H new ATOM 0 HB2 ASN A 92 11.176 2.767 8.485 1.00 1.35 H new ATOM 0 HB3 ASN A 92 12.680 3.346 7.798 1.00 1.35 H new ATOM 0 HD21 ASN A 92 9.126 3.880 5.841 1.00 2.28 H new ATOM 0 HD22 ASN A 92 9.241 2.981 7.357 1.00 2.28 H new ATOM 1414 N ASP A 93 13.168 -0.575 8.568 1.00 0.80 N ATOM 1415 CA ASP A 93 14.008 -1.250 9.550 1.00 0.75 C ATOM 1416 C ASP A 93 15.015 -2.120 8.805 1.00 0.71 C ATOM 1417 O ASP A 93 16.219 -2.039 9.041 1.00 0.83 O ATOM 1418 CB ASP A 93 13.184 -2.173 10.462 1.00 0.68 C ATOM 1419 CG ASP A 93 12.452 -1.466 11.588 1.00 0.80 C ATOM 1420 OD1 ASP A 93 13.102 -0.708 12.334 1.00 1.24 O ATOM 1421 OD2 ASP A 93 11.242 -1.765 11.709 1.00 0.78 O ATOM 0 H ASP A 93 12.677 -1.224 7.953 1.00 0.80 H new ATOM 0 HA ASP A 93 14.494 -0.489 10.161 1.00 0.75 H new ATOM 0 HB2 ASP A 93 12.455 -2.707 9.852 1.00 0.68 H new ATOM 0 HB3 ASP A 93 13.848 -2.922 10.893 1.00 0.68 H new ATOM 1426 N GLY A 94 14.496 -3.006 7.951 1.00 0.64 N ATOM 1427 CA GLY A 94 15.199 -4.184 7.483 1.00 0.69 C ATOM 1428 C GLY A 94 14.845 -5.368 8.387 1.00 0.62 C ATOM 1429 O GLY A 94 15.729 -6.138 8.758 1.00 0.76 O ATOM 0 H GLY A 94 13.557 -2.915 7.563 1.00 0.64 H new ATOM 0 HA2 GLY A 94 14.923 -4.402 6.451 1.00 0.69 H new ATOM 0 HA3 GLY A 94 16.275 -4.010 7.495 1.00 0.69 H new ATOM 1433 N ASP A 95 13.557 -5.510 8.729 1.00 0.50 N ATOM 1434 CA ASP A 95 13.009 -6.631 9.488 1.00 0.52 C ATOM 1435 C ASP A 95 11.910 -7.315 8.674 1.00 0.54 C ATOM 1436 O ASP A 95 12.001 -8.513 8.411 1.00 0.69 O ATOM 1437 CB ASP A 95 12.554 -6.203 10.901 1.00 0.48 C ATOM 1438 CG ASP A 95 11.065 -5.905 11.031 1.00 0.78 C ATOM 1439 OD1 ASP A 95 10.292 -6.880 11.163 1.00 2.44 O ATOM 1440 OD2 ASP A 95 10.700 -4.709 10.955 1.00 1.24 O ATOM 0 H ASP A 95 12.848 -4.822 8.474 1.00 0.50 H new ATOM 0 HA ASP A 95 13.795 -7.367 9.657 1.00 0.52 H new ATOM 0 HB2 ASP A 95 12.815 -6.992 11.606 1.00 0.48 H new ATOM 0 HB3 ASP A 95 13.115 -5.316 11.194 1.00 0.48 H new ATOM 1445 N GLY A 96 10.893 -6.556 8.249 1.00 0.46 N ATOM 1446 CA GLY A 96 9.725 -7.091 7.576 1.00 0.58 C ATOM 1447 C GLY A 96 8.444 -6.469 8.130 1.00 0.53 C ATOM 1448 O GLY A 96 7.671 -5.869 7.386 1.00 0.70 O ATOM 0 H GLY A 96 10.867 -5.543 8.369 1.00 0.46 H new ATOM 0 HA2 GLY A 96 9.796 -6.896 6.506 1.00 0.58 H new ATOM 0 HA3 GLY A 96 9.692 -8.173 7.701 1.00 0.58 H new ATOM 1452 N LYS A 97 8.204 -6.614 9.435 1.00 0.49 N ATOM 1453 CA LYS A 97 6.991 -6.125 10.068 1.00 0.48 C ATOM 1454 C LYS A 97 6.948 -4.606 9.956 1.00 0.43 C ATOM 1455 O LYS A 97 7.778 -3.917 10.553 1.00 0.59 O ATOM 1456 CB LYS A 97 6.968 -6.553 11.539 1.00 0.54 C ATOM 1457 CG LYS A 97 6.796 -8.071 11.669 1.00 1.80 C ATOM 1458 CD LYS A 97 7.788 -8.630 12.690 1.00 1.78 C ATOM 1459 CE LYS A 97 7.467 -10.101 12.973 1.00 3.29 C ATOM 1460 NZ LYS A 97 8.549 -10.749 13.738 1.00 4.07 N ATOM 0 H LYS A 97 8.849 -7.075 10.077 1.00 0.49 H new ATOM 0 HA LYS A 97 6.117 -6.546 9.570 1.00 0.48 H new ATOM 0 HB2 LYS A 97 7.894 -6.246 12.025 1.00 0.54 H new ATOM 0 HB3 LYS A 97 6.153 -6.046 12.056 1.00 0.54 H new ATOM 0 HG2 LYS A 97 5.777 -8.304 11.977 1.00 1.80 H new ATOM 0 HG3 LYS A 97 6.953 -8.546 10.701 1.00 1.80 H new ATOM 0 HD2 LYS A 97 8.806 -8.537 12.311 1.00 1.78 H new ATOM 0 HD3 LYS A 97 7.738 -8.053 13.613 1.00 1.78 H new ATOM 0 HE2 LYS A 97 6.533 -10.171 13.530 1.00 3.29 H new ATOM 0 HE3 LYS A 97 7.317 -10.630 12.032 1.00 3.29 H new ATOM 0 HZ1 LYS A 97 8.302 -11.744 13.914 1.00 4.07 H new ATOM 0 HZ2 LYS A 97 9.434 -10.703 13.194 1.00 4.07 H new ATOM 0 HZ3 LYS A 97 8.674 -10.258 14.646 1.00 4.07 H new ATOM 1474 N ILE A 98 5.991 -4.080 9.198 1.00 0.39 N ATOM 1475 CA ILE A 98 5.757 -2.650 9.079 1.00 0.35 C ATOM 1476 C ILE A 98 4.747 -2.262 10.152 1.00 0.47 C ATOM 1477 O ILE A 98 3.916 -3.078 10.529 1.00 1.00 O ATOM 1478 CB ILE A 98 5.269 -2.365 7.652 1.00 0.37 C ATOM 1479 CG1 ILE A 98 6.463 -2.536 6.703 1.00 0.41 C ATOM 1480 CG2 ILE A 98 4.680 -0.962 7.470 1.00 0.53 C ATOM 1481 CD1 ILE A 98 6.036 -3.204 5.403 1.00 0.44 C ATOM 0 H ILE A 98 5.349 -4.645 8.643 1.00 0.39 H new ATOM 0 HA ILE A 98 6.656 -2.054 9.237 1.00 0.35 H new ATOM 0 HB ILE A 98 4.463 -3.066 7.434 1.00 0.37 H new ATOM 0 HG12 ILE A 98 6.903 -1.562 6.488 1.00 0.41 H new ATOM 0 HG13 ILE A 98 7.234 -3.135 7.187 1.00 0.41 H new ATOM 0 HG21 ILE A 98 4.357 -0.834 6.437 1.00 0.53 H new ATOM 0 HG22 ILE A 98 3.826 -0.837 8.135 1.00 0.53 H new ATOM 0 HG23 ILE A 98 5.438 -0.216 7.708 1.00 0.53 H new ATOM 0 HD11 ILE A 98 6.901 -3.313 4.749 1.00 0.44 H new ATOM 0 HD12 ILE A 98 5.618 -4.187 5.619 1.00 0.44 H new ATOM 0 HD13 ILE A 98 5.283 -2.590 4.909 1.00 0.44 H new ATOM 1493 N GLY A 99 4.805 -1.025 10.643 1.00 0.49 N ATOM 1494 CA GLY A 99 3.818 -0.443 11.538 1.00 0.54 C ATOM 1495 C GLY A 99 3.329 0.882 10.971 1.00 0.45 C ATOM 1496 O GLY A 99 3.735 1.279 9.880 1.00 0.43 O ATOM 0 H GLY A 99 5.566 -0.384 10.419 1.00 0.49 H new ATOM 0 HA2 GLY A 99 2.979 -1.127 11.664 1.00 0.54 H new ATOM 0 HA3 GLY A 99 4.254 -0.288 12.525 1.00 0.54 H new ATOM 1500 N ALA A 100 2.438 1.566 11.694 1.00 0.60 N ATOM 1501 CA ALA A 100 1.819 2.776 11.180 1.00 0.68 C ATOM 1502 C ALA A 100 2.875 3.840 10.948 1.00 0.62 C ATOM 1503 O ALA A 100 2.838 4.512 9.926 1.00 0.61 O ATOM 1504 CB ALA A 100 0.744 3.299 12.129 1.00 0.84 C ATOM 0 H ALA A 100 2.135 1.299 12.631 1.00 0.60 H new ATOM 0 HA ALA A 100 1.338 2.533 10.233 1.00 0.68 H new ATOM 0 HB1 ALA A 100 0.302 4.205 11.714 1.00 0.84 H new ATOM 0 HB2 ALA A 100 -0.030 2.542 12.255 1.00 0.84 H new ATOM 0 HB3 ALA A 100 1.192 3.525 13.097 1.00 0.84 H new ATOM 1510 N GLU A 101 3.809 3.976 11.893 1.00 0.62 N ATOM 1511 CA GLU A 101 4.904 4.916 11.766 1.00 0.60 C ATOM 1512 C GLU A 101 5.717 4.616 10.505 1.00 0.47 C ATOM 1513 O GLU A 101 5.670 5.418 9.581 1.00 0.43 O ATOM 1514 CB GLU A 101 5.707 4.987 13.071 1.00 0.70 C ATOM 1515 CG GLU A 101 5.005 5.991 14.002 1.00 1.56 C ATOM 1516 CD GLU A 101 5.423 5.889 15.462 1.00 1.66 C ATOM 1517 OE1 GLU A 101 6.462 5.248 15.728 1.00 1.99 O ATOM 1518 OE2 GLU A 101 4.670 6.447 16.289 1.00 2.62 O ATOM 0 H GLU A 101 3.820 3.437 12.759 1.00 0.62 H new ATOM 0 HA GLU A 101 4.525 5.928 11.621 1.00 0.60 H new ATOM 0 HB2 GLU A 101 5.761 4.005 13.540 1.00 0.70 H new ATOM 0 HB3 GLU A 101 6.731 5.302 12.872 1.00 0.70 H new ATOM 0 HG2 GLU A 101 5.209 7.001 13.648 1.00 1.56 H new ATOM 0 HG3 GLU A 101 3.928 5.841 13.933 1.00 1.56 H new ATOM 1525 N GLU A 102 6.361 3.447 10.408 1.00 0.46 N ATOM 1526 CA GLU A 102 7.078 3.042 9.198 1.00 0.36 C ATOM 1527 C GLU A 102 6.256 3.305 7.929 1.00 0.35 C ATOM 1528 O GLU A 102 6.753 3.900 6.969 1.00 0.34 O ATOM 1529 CB GLU A 102 7.423 1.548 9.260 1.00 0.34 C ATOM 1530 CG GLU A 102 8.575 1.217 10.208 1.00 0.58 C ATOM 1531 CD GLU A 102 8.893 -0.266 10.160 1.00 0.49 C ATOM 1532 OE1 GLU A 102 8.295 -1.071 10.902 1.00 1.19 O ATOM 1533 OE2 GLU A 102 9.745 -0.713 9.366 1.00 1.24 O ATOM 0 H GLU A 102 6.399 2.761 11.162 1.00 0.46 H new ATOM 0 HA GLU A 102 7.988 3.640 9.152 1.00 0.36 H new ATOM 0 HB2 GLU A 102 6.538 0.993 9.572 1.00 0.34 H new ATOM 0 HB3 GLU A 102 7.679 1.202 8.258 1.00 0.34 H new ATOM 0 HG2 GLU A 102 9.458 1.793 9.932 1.00 0.58 H new ATOM 0 HG3 GLU A 102 8.311 1.506 11.225 1.00 0.58 H new ATOM 1540 N PHE A 103 5.001 2.840 7.915 1.00 0.41 N ATOM 1541 CA PHE A 103 4.163 2.943 6.733 1.00 0.48 C ATOM 1542 C PHE A 103 3.969 4.411 6.369 1.00 0.44 C ATOM 1543 O PHE A 103 4.250 4.816 5.247 1.00 0.49 O ATOM 1544 CB PHE A 103 2.819 2.240 6.959 1.00 0.60 C ATOM 1545 CG PHE A 103 1.919 2.204 5.736 1.00 1.08 C ATOM 1546 CD1 PHE A 103 2.318 1.486 4.592 1.00 2.04 C ATOM 1547 CD2 PHE A 103 0.683 2.881 5.737 1.00 2.68 C ATOM 1548 CE1 PHE A 103 1.482 1.433 3.463 1.00 2.52 C ATOM 1549 CE2 PHE A 103 -0.165 2.804 4.617 1.00 3.27 C ATOM 1550 CZ PHE A 103 0.231 2.075 3.482 1.00 2.61 C ATOM 0 H PHE A 103 4.551 2.390 8.713 1.00 0.41 H new ATOM 0 HA PHE A 103 4.656 2.443 5.899 1.00 0.48 H new ATOM 0 HB2 PHE A 103 3.008 1.218 7.287 1.00 0.60 H new ATOM 0 HB3 PHE A 103 2.291 2.743 7.769 1.00 0.60 H new ATOM 0 HD1 PHE A 103 3.269 0.975 4.582 1.00 2.04 H new ATOM 0 HD2 PHE A 103 0.386 3.460 6.599 1.00 2.68 H new ATOM 0 HE1 PHE A 103 1.801 0.899 2.580 1.00 2.52 H new ATOM 0 HE2 PHE A 103 -1.121 3.306 4.629 1.00 3.27 H new ATOM 0 HZ PHE A 103 -0.424 2.008 2.626 1.00 2.61 H new ATOM 1560 N GLN A 104 3.505 5.214 7.325 1.00 0.43 N ATOM 1561 CA GLN A 104 3.251 6.630 7.136 1.00 0.43 C ATOM 1562 C GLN A 104 4.528 7.356 6.720 1.00 0.43 C ATOM 1563 O GLN A 104 4.476 8.136 5.780 1.00 0.56 O ATOM 1564 CB GLN A 104 2.618 7.206 8.407 1.00 0.50 C ATOM 1565 CG GLN A 104 2.086 8.622 8.174 1.00 0.67 C ATOM 1566 CD GLN A 104 1.325 9.111 9.403 1.00 1.33 C ATOM 1567 OE1 GLN A 104 0.110 8.976 9.503 1.00 2.48 O ATOM 1568 NE2 GLN A 104 2.033 9.680 10.371 1.00 1.95 N ATOM 0 H GLN A 104 3.293 4.887 8.268 1.00 0.43 H new ATOM 0 HA GLN A 104 2.542 6.778 6.321 1.00 0.43 H new ATOM 0 HB2 GLN A 104 1.804 6.559 8.735 1.00 0.50 H new ATOM 0 HB3 GLN A 104 3.356 7.221 9.209 1.00 0.50 H new ATOM 0 HG2 GLN A 104 2.914 9.298 7.958 1.00 0.67 H new ATOM 0 HG3 GLN A 104 1.430 8.633 7.304 1.00 0.67 H new ATOM 0 HE21 GLN A 104 3.043 9.784 10.271 1.00 1.95 H new ATOM 0 HE22 GLN A 104 1.567 10.013 11.215 1.00 1.95 H new ATOM 1577 N GLU A 105 5.663 7.109 7.380 1.00 0.39 N ATOM 1578 CA GLU A 105 6.954 7.672 7.001 1.00 0.42 C ATOM 1579 C GLU A 105 7.210 7.461 5.513 1.00 0.41 C ATOM 1580 O GLU A 105 7.409 8.415 4.763 1.00 0.46 O ATOM 1581 CB GLU A 105 8.083 7.016 7.808 1.00 0.45 C ATOM 1582 CG GLU A 105 8.158 7.554 9.240 1.00 0.79 C ATOM 1583 CD GLU A 105 9.330 6.924 9.978 1.00 2.16 C ATOM 1584 OE1 GLU A 105 10.463 7.382 9.719 1.00 2.60 O ATOM 1585 OE2 GLU A 105 9.069 5.989 10.764 1.00 3.74 O ATOM 0 H GLU A 105 5.708 6.505 8.201 1.00 0.39 H new ATOM 0 HA GLU A 105 6.933 8.741 7.215 1.00 0.42 H new ATOM 0 HB2 GLU A 105 7.929 5.937 7.834 1.00 0.45 H new ATOM 0 HB3 GLU A 105 9.035 7.190 7.306 1.00 0.45 H new ATOM 0 HG2 GLU A 105 8.270 8.638 9.223 1.00 0.79 H new ATOM 0 HG3 GLU A 105 7.229 7.337 9.767 1.00 0.79 H new ATOM 1592 N MET A 106 7.215 6.198 5.083 1.00 0.43 N ATOM 1593 CA MET A 106 7.528 5.888 3.700 1.00 0.51 C ATOM 1594 C MET A 106 6.467 6.470 2.765 1.00 0.58 C ATOM 1595 O MET A 106 6.805 7.169 1.814 1.00 0.62 O ATOM 1596 CB MET A 106 7.727 4.379 3.532 1.00 0.75 C ATOM 1597 CG MET A 106 9.206 4.037 3.306 1.00 1.74 C ATOM 1598 SD MET A 106 9.759 3.928 1.583 1.00 2.47 S ATOM 1599 CE MET A 106 9.962 5.661 1.124 1.00 2.71 C ATOM 0 H MET A 106 7.008 5.388 5.668 1.00 0.43 H new ATOM 0 HA MET A 106 8.469 6.361 3.420 1.00 0.51 H new ATOM 0 HB2 MET A 106 7.362 3.860 4.419 1.00 0.75 H new ATOM 0 HB3 MET A 106 7.135 4.023 2.689 1.00 0.75 H new ATOM 0 HG2 MET A 106 9.811 4.790 3.811 1.00 1.74 H new ATOM 0 HG3 MET A 106 9.413 3.083 3.791 1.00 1.74 H new ATOM 0 HE1 MET A 106 10.541 5.728 0.203 1.00 2.71 H new ATOM 0 HE2 MET A 106 8.982 6.114 0.971 1.00 2.71 H new ATOM 0 HE3 MET A 106 10.485 6.190 1.921 1.00 2.71 H new ATOM 1609 N VAL A 107 5.189 6.222 3.040 1.00 0.69 N ATOM 1610 CA VAL A 107 4.090 6.757 2.251 1.00 0.83 C ATOM 1611 C VAL A 107 4.180 8.282 2.137 1.00 0.94 C ATOM 1612 O VAL A 107 3.901 8.825 1.077 1.00 1.28 O ATOM 1613 CB VAL A 107 2.745 6.296 2.834 1.00 0.75 C ATOM 1614 CG1 VAL A 107 1.569 7.037 2.189 1.00 0.85 C ATOM 1615 CG2 VAL A 107 2.553 4.793 2.590 1.00 0.83 C ATOM 0 H VAL A 107 4.888 5.640 3.822 1.00 0.69 H new ATOM 0 HA VAL A 107 4.163 6.365 1.237 1.00 0.83 H new ATOM 0 HB VAL A 107 2.764 6.514 3.902 1.00 0.75 H new ATOM 0 HG11 VAL A 107 0.634 6.686 2.625 1.00 0.85 H new ATOM 0 HG12 VAL A 107 1.672 8.108 2.366 1.00 0.85 H new ATOM 0 HG13 VAL A 107 1.563 6.846 1.116 1.00 0.85 H new ATOM 0 HG21 VAL A 107 1.597 4.476 3.007 1.00 0.83 H new ATOM 0 HG22 VAL A 107 2.566 4.594 1.518 1.00 0.83 H new ATOM 0 HG23 VAL A 107 3.360 4.240 3.071 1.00 0.83 H new ATOM 1625 N HIS A 108 4.566 8.975 3.211 1.00 0.83 N ATOM 1626 CA HIS A 108 4.659 10.424 3.259 1.00 0.93 C ATOM 1627 C HIS A 108 5.765 10.923 2.323 1.00 1.15 C ATOM 1628 O HIS A 108 5.771 12.102 1.971 1.00 1.37 O ATOM 1629 CB HIS A 108 4.898 10.859 4.714 1.00 1.06 C ATOM 1630 CG HIS A 108 5.058 12.339 4.945 1.00 1.36 C ATOM 1631 ND1 HIS A 108 4.344 13.343 4.331 1.00 1.94 N ATOM 1632 CD2 HIS A 108 5.885 12.922 5.868 1.00 2.13 C ATOM 1633 CE1 HIS A 108 4.740 14.507 4.876 1.00 1.95 C ATOM 1634 NE2 HIS A 108 5.671 14.303 5.822 1.00 2.09 N ATOM 0 H HIS A 108 4.827 8.527 4.089 1.00 0.83 H new ATOM 0 HA HIS A 108 3.727 10.870 2.912 1.00 0.93 H new ATOM 0 HB2 HIS A 108 4.063 10.505 5.319 1.00 1.06 H new ATOM 0 HB3 HIS A 108 5.793 10.356 5.080 1.00 1.06 H new ATOM 0 HD2 HIS A 108 6.579 12.407 6.516 1.00 2.13 H new ATOM 0 HE1 HIS A 108 4.360 15.477 4.591 1.00 1.95 H new ATOM 0 HE2 HIS A 108 6.130 15.013 6.393 1.00 2.09 H new ATOM 1642 N SER A 109 6.701 10.042 1.956 1.00 1.20 N ATOM 1643 CA SER A 109 7.808 10.365 1.077 1.00 1.45 C ATOM 1644 C SER A 109 7.302 10.617 -0.351 1.00 2.23 C ATOM 1645 O SER A 109 6.580 9.736 -0.873 1.00 3.58 O ATOM 1646 CB SER A 109 8.839 9.228 1.119 1.00 1.29 C ATOM 1647 OG SER A 109 10.125 9.643 0.691 1.00 1.55 O ATOM 1648 OXT SER A 109 7.656 11.678 -0.909 1.00 2.67 O ATOM 0 H SER A 109 6.703 9.072 2.271 1.00 1.20 H new ATOM 0 HA SER A 109 8.291 11.281 1.417 1.00 1.45 H new ATOM 0 HB2 SER A 109 8.906 8.840 2.136 1.00 1.29 H new ATOM 0 HB3 SER A 109 8.497 8.408 0.487 1.00 1.29 H new ATOM 0 HG SER A 109 10.745 8.886 0.737 1.00 1.55 H new