USER MOD reduce.3.24.130724 H: found=0, std=0, add=951, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 954 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 115 TYR OH : rot 79:sc= 1.08 USER MOD Set 1.2: A 153 THR OG1 : rot -72:sc= 1.2 USER MOD Set 2.1: A 125 THR OG1 : rot 170:sc= 0 USER MOD Set 2.2: A 136 HIS : no HD1:sc= 0 X(o=0,f=0.0082) USER MOD Set 3.1: A 103 THR OG1 : rot 180:sc= 1.02 USER MOD Set 3.2: A 121 THR OG1 : rot -102:sc= 1.1 USER MOD Set 4.1: A 79 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 86 LYS NZ :NH3+ -147:sc= -0.684 (180deg=-2.64!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0744 USER MOD Single : A 33 LYS NZ :NH3+ 156:sc= 1.29 (180deg=1.22) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 168:sc= -0.0586 (180deg=-0.187) USER MOD Single : A 40 HIS :FLIP no HE2:sc= -0.499 F(o=-1.4,f=-0.5) USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 36:sc= 0.117 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN :FLIP amide:sc= -0.037 F(o=-1.5!,f=-0.037) USER MOD Single : A 81 HIS : no HD1:sc= -0.287 X(o=-0.29,f=-0.14) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -1.27 K(o=-1.3,f=-4.4!) USER MOD Single : A 112 MET CE :methyl -178:sc= -3.33 (180deg=-3.34) USER MOD Single : A 113 LYS NZ :NH3+ -167:sc= 0.0978 (180deg=-0.0312) USER MOD Single : A 116 LYS NZ :NH3+ 179:sc= 1.22 (180deg=1.21) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0.125 K(o=0.13,f=-0.48) USER MOD Single : A 127 LYS NZ :NH3+ -157:sc= 1.24 (180deg=1.22) USER MOD Single : A 133 SER OG : rot 0:sc= 0.274 USER MOD Single : A 138 HIS : no HE2:sc= 1.06 K(o=1.1,f=-5.6!) USER MOD Single : A 141 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 LYS NZ :NH3+ -179:sc= 0.366 (180deg=0.312) USER MOD Single : A 145 SER OG : rot 180:sc= 0 USER MOD Single : A 150 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 156 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 158 CYS SG : rot 50:sc= 0.988 USER MOD Single : A 162 SER OG : rot 72:sc= 0.847 USER MOD Single : A 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 62 N LEU A 22 -7.066 -22.298 4.790 1.00 65.34 N ATOM 63 CA LEU A 22 -7.253 -21.188 3.859 1.00 45.24 C ATOM 64 C LEU A 22 -6.484 -19.929 4.242 1.00 63.41 C ATOM 65 O LEU A 22 -6.722 -18.855 3.696 1.00 73.21 O ATOM 66 CB LEU A 22 -8.723 -20.922 3.632 1.00 24.54 C ATOM 67 CG LEU A 22 -9.486 -22.070 2.975 1.00 23.52 C ATOM 68 CD1 LEU A 22 -10.935 -21.747 2.916 1.00 63.15 C ATOM 69 CD2 LEU A 22 -8.955 -22.355 1.572 1.00 15.12 C ATOM 0 HA LEU A 22 -6.816 -21.499 2.910 1.00 45.24 H new ATOM 0 HB2 LEU A 22 -9.189 -20.696 4.591 1.00 24.54 H new ATOM 0 HB3 LEU A 22 -8.825 -20.033 3.010 1.00 24.54 H new ATOM 0 HG LEU A 22 -9.340 -22.965 3.579 1.00 23.52 H new ATOM 0 HD11 LEU A 22 -11.473 -22.571 2.446 1.00 63.15 H new ATOM 0 HD12 LEU A 22 -11.315 -21.595 3.926 1.00 63.15 H new ATOM 0 HD13 LEU A 22 -11.082 -20.838 2.332 1.00 63.15 H new ATOM 0 HD21 LEU A 22 -9.518 -23.177 1.130 1.00 15.12 H new ATOM 0 HD22 LEU A 22 -9.066 -21.465 0.953 1.00 15.12 H new ATOM 0 HD23 LEU A 22 -7.901 -22.627 1.630 1.00 15.12 H new ATOM 81 N VAL A 23 -5.540 -20.070 5.131 1.00 3.22 N ATOM 82 CA VAL A 23 -4.722 -18.970 5.519 1.00 73.34 C ATOM 83 C VAL A 23 -3.492 -18.989 4.674 1.00 23.40 C ATOM 84 O VAL A 23 -2.696 -19.937 4.712 1.00 74.13 O ATOM 85 CB VAL A 23 -4.362 -18.977 7.026 1.00 65.50 C ATOM 86 CG1 VAL A 23 -3.444 -17.805 7.369 1.00 2.30 C ATOM 87 CG2 VAL A 23 -5.628 -18.887 7.844 1.00 61.41 C ATOM 0 H VAL A 23 -5.322 -20.949 5.601 1.00 3.22 H new ATOM 0 HA VAL A 23 -5.284 -18.050 5.363 1.00 73.34 H new ATOM 0 HB VAL A 23 -3.838 -19.904 7.256 1.00 65.50 H new ATOM 0 HG11 VAL A 23 -3.204 -17.830 8.432 1.00 2.30 H new ATOM 0 HG12 VAL A 23 -2.525 -17.880 6.788 1.00 2.30 H new ATOM 0 HG13 VAL A 23 -3.947 -16.867 7.132 1.00 2.30 H new ATOM 0 HG21 VAL A 23 -5.377 -18.892 8.905 1.00 61.41 H new ATOM 0 HG22 VAL A 23 -6.154 -17.964 7.600 1.00 61.41 H new ATOM 0 HG23 VAL A 23 -6.268 -19.740 7.619 1.00 61.41 H new ATOM 97 N GLY A 24 -3.359 -17.994 3.898 1.00 35.34 N ATOM 98 CA GLY A 24 -2.270 -17.900 3.001 1.00 20.41 C ATOM 99 C GLY A 24 -1.453 -16.712 3.304 1.00 3.13 C ATOM 100 O GLY A 24 -1.973 -15.690 3.684 1.00 1.40 O ATOM 0 H GLY A 24 -4.007 -17.207 3.861 1.00 35.34 H new ATOM 0 HA2 GLY A 24 -1.656 -18.798 3.070 1.00 20.41 H new ATOM 0 HA3 GLY A 24 -2.639 -17.844 1.977 1.00 20.41 H new ATOM 104 N LYS A 25 -0.203 -16.831 3.153 1.00 55.01 N ATOM 105 CA LYS A 25 0.685 -15.757 3.444 1.00 22.40 C ATOM 106 C LYS A 25 1.866 -15.794 2.542 1.00 0.25 C ATOM 107 O LYS A 25 2.255 -16.872 2.055 1.00 40.55 O ATOM 108 CB LYS A 25 1.124 -15.786 4.902 1.00 53.11 C ATOM 109 CG LYS A 25 1.584 -17.152 5.366 1.00 51.34 C ATOM 110 CD LYS A 25 2.254 -17.103 6.723 1.00 51.21 C ATOM 111 CE LYS A 25 3.538 -16.298 6.656 1.00 35.44 C ATOM 112 NZ LYS A 25 4.238 -16.253 7.947 1.00 40.12 N ATOM 0 H LYS A 25 0.254 -17.680 2.821 1.00 55.01 H new ATOM 0 HA LYS A 25 0.148 -14.824 3.273 1.00 22.40 H new ATOM 0 HB2 LYS A 25 1.934 -15.071 5.044 1.00 53.11 H new ATOM 0 HB3 LYS A 25 0.295 -15.458 5.530 1.00 53.11 H new ATOM 0 HG2 LYS A 25 0.728 -17.825 5.410 1.00 51.34 H new ATOM 0 HG3 LYS A 25 2.278 -17.567 4.635 1.00 51.34 H new ATOM 0 HD2 LYS A 25 1.577 -16.658 7.453 1.00 51.21 H new ATOM 0 HD3 LYS A 25 2.470 -18.115 7.064 1.00 51.21 H new ATOM 0 HE2 LYS A 25 4.197 -16.731 5.903 1.00 35.44 H new ATOM 0 HE3 LYS A 25 3.310 -15.282 6.333 1.00 35.44 H new ATOM 0 HZ1 LYS A 25 5.108 -15.692 7.851 1.00 40.12 H new ATOM 0 HZ2 LYS A 25 3.621 -15.815 8.661 1.00 40.12 H new ATOM 0 HZ3 LYS A 25 4.480 -17.220 8.244 1.00 40.12 H new ATOM 126 N LEU A 26 2.435 -14.654 2.307 1.00 43.53 N ATOM 127 CA LEU A 26 3.586 -14.557 1.472 1.00 34.21 C ATOM 128 C LEU A 26 4.364 -13.335 1.932 1.00 11.52 C ATOM 129 O LEU A 26 3.773 -12.345 2.349 1.00 35.24 O ATOM 130 CB LEU A 26 3.117 -14.449 -0.010 1.00 23.33 C ATOM 131 CG LEU A 26 4.155 -14.640 -1.140 1.00 63.42 C ATOM 132 CD1 LEU A 26 3.446 -14.710 -2.470 1.00 44.53 C ATOM 133 CD2 LEU A 26 5.177 -13.522 -1.188 1.00 4.42 C ATOM 0 H LEU A 26 2.113 -13.765 2.690 1.00 43.53 H new ATOM 0 HA LEU A 26 4.234 -15.431 1.540 1.00 34.21 H new ATOM 0 HB2 LEU A 26 2.328 -15.186 -0.160 1.00 23.33 H new ATOM 0 HB3 LEU A 26 2.665 -13.466 -0.141 1.00 23.33 H new ATOM 0 HG LEU A 26 4.687 -15.568 -0.932 1.00 63.42 H new ATOM 0 HD11 LEU A 26 4.178 -14.845 -3.266 1.00 44.53 H new ATOM 0 HD12 LEU A 26 2.753 -15.551 -2.469 1.00 44.53 H new ATOM 0 HD13 LEU A 26 2.894 -13.785 -2.637 1.00 44.53 H new ATOM 0 HD21 LEU A 26 5.881 -13.707 -1.999 1.00 4.42 H new ATOM 0 HD22 LEU A 26 4.670 -12.572 -1.357 1.00 4.42 H new ATOM 0 HD23 LEU A 26 5.717 -13.481 -0.242 1.00 4.42 H new ATOM 145 N GLU A 27 5.652 -13.408 1.894 1.00 75.03 N ATOM 146 CA GLU A 27 6.462 -12.310 2.328 1.00 14.24 C ATOM 147 C GLU A 27 7.539 -12.026 1.300 1.00 2.14 C ATOM 148 O GLU A 27 8.317 -12.915 0.926 1.00 70.35 O ATOM 149 CB GLU A 27 7.044 -12.598 3.713 1.00 72.44 C ATOM 150 CG GLU A 27 7.843 -11.465 4.315 1.00 23.21 C ATOM 151 CD GLU A 27 8.269 -11.763 5.720 1.00 31.52 C ATOM 152 OE1 GLU A 27 9.351 -12.332 5.919 1.00 42.35 O ATOM 153 OE2 GLU A 27 7.521 -11.431 6.659 1.00 63.13 O ATOM 0 H GLU A 27 6.173 -14.221 1.565 1.00 75.03 H new ATOM 0 HA GLU A 27 5.849 -11.413 2.417 1.00 14.24 H new ATOM 0 HB2 GLU A 27 6.227 -12.847 4.390 1.00 72.44 H new ATOM 0 HB3 GLU A 27 7.683 -13.479 3.647 1.00 72.44 H new ATOM 0 HG2 GLU A 27 8.724 -11.277 3.701 1.00 23.21 H new ATOM 0 HG3 GLU A 27 7.245 -10.554 4.303 1.00 23.21 H new ATOM 160 N THR A 28 7.592 -10.812 0.848 1.00 52.40 N ATOM 161 CA THR A 28 8.519 -10.426 -0.167 1.00 73.50 C ATOM 162 C THR A 28 9.252 -9.162 0.271 1.00 0.54 C ATOM 163 O THR A 28 8.892 -8.536 1.277 1.00 62.22 O ATOM 164 CB THR A 28 7.806 -10.213 -1.553 1.00 43.22 C ATOM 165 OG1 THR A 28 8.770 -9.947 -2.580 1.00 62.34 O ATOM 166 CG2 THR A 28 6.811 -9.056 -1.505 1.00 55.12 C ATOM 0 H THR A 28 6.989 -10.057 1.175 1.00 52.40 H new ATOM 0 HA THR A 28 9.241 -11.231 -0.303 1.00 73.50 H new ATOM 0 HB THR A 28 7.266 -11.133 -1.776 1.00 43.22 H new ATOM 0 HG1 THR A 28 8.310 -9.819 -3.436 1.00 62.34 H new ATOM 0 HG21 THR A 28 6.339 -8.941 -2.481 1.00 55.12 H new ATOM 0 HG22 THR A 28 6.047 -9.264 -0.755 1.00 55.12 H new ATOM 0 HG23 THR A 28 7.335 -8.136 -1.244 1.00 55.12 H new ATOM 174 N ASP A 29 10.269 -8.810 -0.445 1.00 2.21 N ATOM 175 CA ASP A 29 11.024 -7.629 -0.167 1.00 72.15 C ATOM 176 C ASP A 29 11.284 -6.929 -1.467 1.00 11.31 C ATOM 177 O ASP A 29 11.757 -7.538 -2.423 1.00 3.04 O ATOM 178 CB ASP A 29 12.350 -7.942 0.575 1.00 4.44 C ATOM 179 CG ASP A 29 13.358 -8.742 -0.239 1.00 71.23 C ATOM 180 OD1 ASP A 29 13.209 -9.989 -0.358 1.00 54.30 O ATOM 181 OD2 ASP A 29 14.335 -8.147 -0.737 1.00 72.02 O ATOM 0 H ASP A 29 10.604 -9.340 -1.250 1.00 2.21 H new ATOM 0 HA ASP A 29 10.451 -6.986 0.501 1.00 72.15 H new ATOM 0 HB2 ASP A 29 12.812 -7.002 0.879 1.00 4.44 H new ATOM 0 HB3 ASP A 29 12.120 -8.493 1.487 1.00 4.44 H new ATOM 186 N VAL A 30 10.917 -5.692 -1.533 1.00 11.11 N ATOM 187 CA VAL A 30 11.129 -4.912 -2.724 1.00 21.01 C ATOM 188 C VAL A 30 12.106 -3.818 -2.416 1.00 24.22 C ATOM 189 O VAL A 30 11.970 -3.131 -1.403 1.00 33.24 O ATOM 190 CB VAL A 30 9.807 -4.300 -3.280 1.00 71.42 C ATOM 191 CG1 VAL A 30 10.080 -3.443 -4.512 1.00 32.34 C ATOM 192 CG2 VAL A 30 8.812 -5.394 -3.629 1.00 42.32 C ATOM 0 H VAL A 30 10.463 -5.188 -0.771 1.00 11.11 H new ATOM 0 HA VAL A 30 11.521 -5.574 -3.496 1.00 21.01 H new ATOM 0 HB VAL A 30 9.381 -3.669 -2.500 1.00 71.42 H new ATOM 0 HG11 VAL A 30 9.142 -3.027 -4.881 1.00 32.34 H new ATOM 0 HG12 VAL A 30 10.758 -2.631 -4.248 1.00 32.34 H new ATOM 0 HG13 VAL A 30 10.535 -4.057 -5.289 1.00 32.34 H new ATOM 0 HG21 VAL A 30 7.897 -4.944 -4.015 1.00 42.32 H new ATOM 0 HG22 VAL A 30 9.242 -6.049 -4.387 1.00 42.32 H new ATOM 0 HG23 VAL A 30 8.582 -5.975 -2.736 1.00 42.32 H new ATOM 202 N GLU A 31 13.097 -3.673 -3.239 1.00 52.21 N ATOM 203 CA GLU A 31 14.068 -2.645 -3.023 1.00 41.14 C ATOM 204 C GLU A 31 13.639 -1.413 -3.782 1.00 41.14 C ATOM 205 O GLU A 31 13.220 -1.505 -4.948 1.00 0.15 O ATOM 206 CB GLU A 31 15.439 -3.072 -3.494 1.00 75.25 C ATOM 207 CG GLU A 31 15.826 -4.478 -3.092 1.00 65.05 C ATOM 208 CD GLU A 31 17.244 -4.805 -3.441 1.00 11.32 C ATOM 209 OE1 GLU A 31 17.599 -4.770 -4.639 1.00 54.34 O ATOM 210 OE2 GLU A 31 18.034 -5.072 -2.515 1.00 24.00 O ATOM 0 H GLU A 31 13.255 -4.251 -4.064 1.00 52.21 H new ATOM 0 HA GLU A 31 14.130 -2.440 -1.954 1.00 41.14 H new ATOM 0 HB2 GLU A 31 15.478 -2.994 -4.581 1.00 75.25 H new ATOM 0 HB3 GLU A 31 16.179 -2.377 -3.098 1.00 75.25 H new ATOM 0 HG2 GLU A 31 15.683 -4.598 -2.018 1.00 65.05 H new ATOM 0 HG3 GLU A 31 15.161 -5.189 -3.583 1.00 65.05 H new ATOM 217 N ILE A 32 13.723 -0.287 -3.151 1.00 32.22 N ATOM 218 CA ILE A 32 13.320 0.952 -3.766 1.00 22.03 C ATOM 219 C ILE A 32 14.515 1.877 -3.951 1.00 42.21 C ATOM 220 O ILE A 32 15.602 1.620 -3.414 1.00 1.35 O ATOM 221 CB ILE A 32 12.205 1.667 -2.951 1.00 10.23 C ATOM 222 CG1 ILE A 32 12.651 1.888 -1.490 1.00 72.41 C ATOM 223 CG2 ILE A 32 10.895 0.881 -3.029 1.00 62.30 C ATOM 224 CD1 ILE A 32 11.634 2.608 -0.624 1.00 22.51 C ATOM 0 H ILE A 32 14.071 -0.192 -2.197 1.00 32.22 H new ATOM 0 HA ILE A 32 12.909 0.707 -4.746 1.00 22.03 H new ATOM 0 HB ILE A 32 12.028 2.649 -3.390 1.00 10.23 H new ATOM 0 HG12 ILE A 32 12.872 0.920 -1.040 1.00 72.41 H new ATOM 0 HG13 ILE A 32 13.579 2.459 -1.489 1.00 72.41 H new ATOM 0 HG21 ILE A 32 10.127 1.396 -2.453 1.00 62.30 H new ATOM 0 HG22 ILE A 32 10.578 0.804 -4.069 1.00 62.30 H new ATOM 0 HG23 ILE A 32 11.045 -0.118 -2.621 1.00 62.30 H new ATOM 0 HD11 ILE A 32 12.030 2.720 0.385 1.00 22.51 H new ATOM 0 HD12 ILE A 32 11.429 3.592 -1.045 1.00 22.51 H new ATOM 0 HD13 ILE A 32 10.711 2.029 -0.589 1.00 22.51 H new ATOM 236 N LYS A 33 14.312 2.940 -4.698 1.00 11.20 N ATOM 237 CA LYS A 33 15.350 3.915 -4.952 1.00 74.12 C ATOM 238 C LYS A 33 15.426 4.819 -3.753 1.00 51.55 C ATOM 239 O LYS A 33 16.512 5.260 -3.338 1.00 33.31 O ATOM 240 CB LYS A 33 14.969 4.809 -6.124 1.00 40.11 C ATOM 241 CG LYS A 33 14.722 4.163 -7.464 1.00 24.42 C ATOM 242 CD LYS A 33 14.148 5.221 -8.401 1.00 65.02 C ATOM 243 CE LYS A 33 13.807 4.687 -9.766 1.00 23.41 C ATOM 244 NZ LYS A 33 13.101 5.708 -10.582 1.00 71.33 N ATOM 0 H LYS A 33 13.421 3.153 -5.147 1.00 11.20 H new ATOM 0 HA LYS A 33 16.283 3.391 -5.159 1.00 74.12 H new ATOM 0 HB2 LYS A 33 14.067 5.355 -5.847 1.00 40.11 H new ATOM 0 HB3 LYS A 33 15.762 5.546 -6.251 1.00 40.11 H new ATOM 0 HG2 LYS A 33 15.650 3.759 -7.869 1.00 24.42 H new ATOM 0 HG3 LYS A 33 14.029 3.328 -7.362 1.00 24.42 H new ATOM 0 HD2 LYS A 33 13.251 5.647 -7.951 1.00 65.02 H new ATOM 0 HD3 LYS A 33 14.868 6.033 -8.506 1.00 65.02 H new ATOM 0 HE2 LYS A 33 14.719 4.377 -10.276 1.00 23.41 H new ATOM 0 HE3 LYS A 33 13.181 3.801 -9.666 1.00 23.41 H new ATOM 0 HZ1 LYS A 33 13.234 5.498 -11.592 1.00 71.33 H new ATOM 0 HZ2 LYS A 33 12.086 5.692 -10.356 1.00 71.33 H new ATOM 0 HZ3 LYS A 33 13.488 6.650 -10.371 1.00 71.33 H new ATOM 258 N ALA A 34 14.252 5.109 -3.220 1.00 11.02 N ATOM 259 CA ALA A 34 14.082 6.015 -2.119 1.00 72.44 C ATOM 260 C ALA A 34 14.637 5.483 -0.815 1.00 42.34 C ATOM 261 O ALA A 34 14.862 4.279 -0.645 1.00 31.33 O ATOM 262 CB ALA A 34 12.624 6.382 -1.967 1.00 31.35 C ATOM 0 H ALA A 34 13.376 4.707 -3.555 1.00 11.02 H new ATOM 0 HA ALA A 34 14.661 6.908 -2.355 1.00 72.44 H new ATOM 0 HB1 ALA A 34 12.507 7.069 -1.129 1.00 31.35 H new ATOM 0 HB2 ALA A 34 12.272 6.861 -2.881 1.00 31.35 H new ATOM 0 HB3 ALA A 34 12.039 5.481 -1.781 1.00 31.35 H new ATOM 268 N SER A 35 14.857 6.391 0.093 1.00 24.51 N ATOM 269 CA SER A 35 15.384 6.079 1.379 1.00 21.44 C ATOM 270 C SER A 35 14.261 6.132 2.432 1.00 12.32 C ATOM 271 O SER A 35 13.311 6.923 2.303 1.00 24.22 O ATOM 272 CB SER A 35 16.470 7.093 1.700 1.00 14.41 C ATOM 273 OG SER A 35 17.428 7.149 0.646 1.00 71.03 O ATOM 0 H SER A 35 14.670 7.384 -0.048 1.00 24.51 H new ATOM 0 HA SER A 35 15.804 5.073 1.388 1.00 21.44 H new ATOM 0 HB2 SER A 35 16.025 8.077 1.847 1.00 14.41 H new ATOM 0 HB3 SER A 35 16.963 6.823 2.634 1.00 14.41 H new ATOM 0 HG SER A 35 18.119 7.807 0.867 1.00 71.03 H new ATOM 279 N ALA A 36 14.377 5.294 3.454 1.00 15.50 N ATOM 280 CA ALA A 36 13.408 5.187 4.549 1.00 60.53 C ATOM 281 C ALA A 36 13.193 6.522 5.256 1.00 51.14 C ATOM 282 O ALA A 36 12.086 6.825 5.715 1.00 1.10 O ATOM 283 CB ALA A 36 13.866 4.128 5.540 1.00 44.35 C ATOM 0 H ALA A 36 15.164 4.653 3.551 1.00 15.50 H new ATOM 0 HA ALA A 36 12.450 4.893 4.120 1.00 60.53 H new ATOM 0 HB1 ALA A 36 13.143 4.052 6.352 1.00 44.35 H new ATOM 0 HB2 ALA A 36 13.945 3.166 5.034 1.00 44.35 H new ATOM 0 HB3 ALA A 36 14.839 4.406 5.946 1.00 44.35 H new ATOM 289 N ASP A 37 14.242 7.322 5.320 1.00 21.24 N ATOM 290 CA ASP A 37 14.173 8.647 5.927 1.00 62.23 C ATOM 291 C ASP A 37 13.177 9.545 5.199 1.00 31.54 C ATOM 292 O ASP A 37 12.524 10.379 5.817 1.00 0.34 O ATOM 293 CB ASP A 37 15.567 9.314 6.041 1.00 72.04 C ATOM 294 CG ASP A 37 16.319 9.444 4.726 1.00 14.15 C ATOM 295 OD1 ASP A 37 16.177 10.469 4.029 1.00 11.30 O ATOM 296 OD2 ASP A 37 17.095 8.528 4.394 1.00 22.25 O ATOM 0 H ASP A 37 15.163 7.077 4.956 1.00 21.24 H new ATOM 0 HA ASP A 37 13.808 8.509 6.945 1.00 62.23 H new ATOM 0 HB2 ASP A 37 15.445 10.307 6.474 1.00 72.04 H new ATOM 0 HB3 ASP A 37 16.176 8.736 6.736 1.00 72.04 H new ATOM 301 N LYS A 38 13.027 9.342 3.900 1.00 24.44 N ATOM 302 CA LYS A 38 12.084 10.117 3.120 1.00 62.01 C ATOM 303 C LYS A 38 10.667 9.640 3.356 1.00 44.33 C ATOM 304 O LYS A 38 9.732 10.434 3.353 1.00 62.43 O ATOM 305 CB LYS A 38 12.426 10.066 1.656 1.00 62.54 C ATOM 306 CG LYS A 38 13.786 10.642 1.379 1.00 44.32 C ATOM 307 CD LYS A 38 14.074 10.715 -0.085 1.00 53.54 C ATOM 308 CE LYS A 38 13.121 11.651 -0.818 1.00 45.23 C ATOM 309 NZ LYS A 38 13.159 13.033 -0.290 1.00 31.13 N ATOM 0 H LYS A 38 13.548 8.646 3.366 1.00 24.44 H new ATOM 0 HA LYS A 38 12.152 11.155 3.447 1.00 62.01 H new ATOM 0 HB2 LYS A 38 12.392 9.033 1.311 1.00 62.54 H new ATOM 0 HB3 LYS A 38 11.676 10.617 1.088 1.00 62.54 H new ATOM 0 HG2 LYS A 38 13.852 11.640 1.812 1.00 44.32 H new ATOM 0 HG3 LYS A 38 14.545 10.031 1.868 1.00 44.32 H new ATOM 0 HD2 LYS A 38 15.099 11.054 -0.234 1.00 53.54 H new ATOM 0 HD3 LYS A 38 14.003 9.717 -0.517 1.00 53.54 H new ATOM 0 HE2 LYS A 38 13.375 11.664 -1.878 1.00 45.23 H new ATOM 0 HE3 LYS A 38 12.105 11.264 -0.738 1.00 45.23 H new ATOM 0 HZ1 LYS A 38 12.655 13.668 -0.942 1.00 31.13 H new ATOM 0 HZ2 LYS A 38 12.701 13.061 0.643 1.00 31.13 H new ATOM 0 HZ3 LYS A 38 14.148 13.343 -0.200 1.00 31.13 H new ATOM 323 N PHE A 39 10.520 8.338 3.589 1.00 21.04 N ATOM 324 CA PHE A 39 9.218 7.733 3.877 1.00 44.51 C ATOM 325 C PHE A 39 8.690 8.323 5.182 1.00 1.23 C ATOM 326 O PHE A 39 7.533 8.746 5.279 1.00 54.14 O ATOM 327 CB PHE A 39 9.377 6.198 4.003 1.00 74.20 C ATOM 328 CG PHE A 39 8.089 5.430 4.210 1.00 1.43 C ATOM 329 CD1 PHE A 39 7.599 5.190 5.486 1.00 22.14 C ATOM 330 CD2 PHE A 39 7.377 4.943 3.126 1.00 71.45 C ATOM 331 CE1 PHE A 39 6.427 4.484 5.673 1.00 2.42 C ATOM 332 CE2 PHE A 39 6.206 4.235 3.308 1.00 42.14 C ATOM 333 CZ PHE A 39 5.730 4.008 4.583 1.00 13.22 C ATOM 0 H PHE A 39 11.294 7.674 3.584 1.00 21.04 H new ATOM 0 HA PHE A 39 8.514 7.942 3.071 1.00 44.51 H new ATOM 0 HB2 PHE A 39 9.863 5.824 3.102 1.00 74.20 H new ATOM 0 HB3 PHE A 39 10.046 5.986 4.837 1.00 74.20 H new ATOM 0 HD1 PHE A 39 8.141 5.560 6.344 1.00 22.14 H new ATOM 0 HD2 PHE A 39 7.743 5.120 2.125 1.00 71.45 H new ATOM 0 HE1 PHE A 39 6.057 4.305 6.672 1.00 2.42 H new ATOM 0 HE2 PHE A 39 5.663 3.859 2.453 1.00 42.14 H new ATOM 0 HZ PHE A 39 4.812 3.458 4.727 1.00 13.22 H new ATOM 343 N HIS A 40 9.571 8.372 6.160 1.00 21.02 N ATOM 344 CA HIS A 40 9.287 8.935 7.469 1.00 64.21 C ATOM 345 C HIS A 40 8.976 10.433 7.319 1.00 43.43 C ATOM 346 O HIS A 40 8.026 10.952 7.901 1.00 23.53 O ATOM 347 CB HIS A 40 10.535 8.744 8.361 1.00 71.45 C ATOM 348 CG HIS A 40 10.382 9.123 9.814 1.00 52.10 C ATOM 349 ND1 HIS A 40 10.095 10.307 10.416 1.00 3.20 N flip ATOM 350 CD2 HIS A 40 10.596 8.229 10.833 1.00 72.22 C flip ATOM 351 CE1 HIS A 40 10.146 10.093 11.769 1.00 24.35 C flip ATOM 352 NE2 HIS A 40 10.448 8.836 11.988 1.00 12.41 N flip ATOM 0 H HIS A 40 10.522 8.016 6.068 1.00 21.02 H new ATOM 0 HA HIS A 40 8.429 8.438 7.921 1.00 64.21 H new ATOM 0 HB2 HIS A 40 10.835 7.697 8.310 1.00 71.45 H new ATOM 0 HB3 HIS A 40 11.351 9.330 7.938 1.00 71.45 H new ATOM 0 HD1 HIS A 40 9.882 11.189 9.949 1.00 3.20 H new ATOM 0 HD2 HIS A 40 10.847 7.187 10.705 1.00 72.22 H new ATOM 0 HE1 HIS A 40 9.967 10.838 12.530 1.00 24.35 H new ATOM 361 N HIS A 41 9.788 11.097 6.520 1.00 41.12 N ATOM 362 CA HIS A 41 9.685 12.534 6.275 1.00 12.41 C ATOM 363 C HIS A 41 8.375 12.933 5.599 1.00 1.43 C ATOM 364 O HIS A 41 7.746 13.916 5.998 1.00 24.22 O ATOM 365 CB HIS A 41 10.894 13.004 5.439 1.00 53.13 C ATOM 366 CG HIS A 41 10.871 14.445 5.016 1.00 30.04 C ATOM 367 ND1 HIS A 41 11.285 15.476 5.817 1.00 71.14 N ATOM 368 CD2 HIS A 41 10.479 15.010 3.853 1.00 31.52 C ATOM 369 CE1 HIS A 41 11.147 16.611 5.171 1.00 31.13 C ATOM 370 NE2 HIS A 41 10.661 16.357 3.978 1.00 44.11 N ATOM 0 H HIS A 41 10.552 10.652 6.012 1.00 41.12 H new ATOM 0 HA HIS A 41 9.690 13.030 7.246 1.00 12.41 H new ATOM 0 HB2 HIS A 41 11.802 12.828 6.016 1.00 53.13 H new ATOM 0 HB3 HIS A 41 10.958 12.383 4.546 1.00 53.13 H new ATOM 0 HD2 HIS A 41 10.094 14.493 2.987 1.00 31.52 H new ATOM 0 HE1 HIS A 41 11.392 17.590 5.557 1.00 31.13 H new ATOM 0 HE2 HIS A 41 10.453 17.053 3.262 1.00 44.11 H new ATOM 778 N THR A 70 -6.362 8.104 11.673 1.00 75.22 N ATOM 779 CA THR A 70 -5.063 7.530 11.248 1.00 4.22 C ATOM 780 C THR A 70 -5.090 5.962 11.279 1.00 45.01 C ATOM 781 O THR A 70 -5.164 5.327 10.239 1.00 31.13 O ATOM 782 CB THR A 70 -3.878 8.115 12.057 1.00 11.52 C ATOM 783 OG1 THR A 70 -3.906 9.552 11.944 1.00 1.43 O ATOM 784 CG2 THR A 70 -2.552 7.619 11.504 1.00 10.03 C ATOM 0 HA THR A 70 -4.902 7.824 10.211 1.00 4.22 H new ATOM 0 HB THR A 70 -3.973 7.799 13.096 1.00 11.52 H new ATOM 0 HG1 THR A 70 -4.836 9.860 11.922 1.00 1.43 H new ATOM 0 HG21 THR A 70 -1.734 8.042 12.087 1.00 10.03 H new ATOM 0 HG22 THR A 70 -2.516 6.531 11.565 1.00 10.03 H new ATOM 0 HG23 THR A 70 -2.454 7.928 10.463 1.00 10.03 H new ATOM 792 N VAL A 71 -5.013 5.345 12.442 1.00 3.35 N ATOM 793 CA VAL A 71 -5.242 3.921 12.521 1.00 71.11 C ATOM 794 C VAL A 71 -6.733 3.698 12.340 1.00 63.31 C ATOM 795 O VAL A 71 -7.541 4.242 13.094 1.00 42.35 O ATOM 796 CB VAL A 71 -4.764 3.297 13.850 1.00 40.45 C ATOM 797 CG1 VAL A 71 -5.098 1.814 13.888 1.00 65.13 C ATOM 798 CG2 VAL A 71 -3.271 3.493 14.018 1.00 3.43 C ATOM 0 H VAL A 71 -4.797 5.800 13.329 1.00 3.35 H new ATOM 0 HA VAL A 71 -4.660 3.428 11.743 1.00 71.11 H new ATOM 0 HB VAL A 71 -5.280 3.797 14.670 1.00 40.45 H new ATOM 0 HG11 VAL A 71 -4.755 1.388 14.831 1.00 65.13 H new ATOM 0 HG12 VAL A 71 -6.176 1.682 13.801 1.00 65.13 H new ATOM 0 HG13 VAL A 71 -4.602 1.308 13.059 1.00 65.13 H new ATOM 0 HG21 VAL A 71 -2.949 3.048 14.959 1.00 3.43 H new ATOM 0 HG22 VAL A 71 -2.746 3.014 13.192 1.00 3.43 H new ATOM 0 HG23 VAL A 71 -3.042 4.559 14.024 1.00 3.43 H new ATOM 808 N GLY A 72 -7.099 2.941 11.352 1.00 24.54 N ATOM 809 CA GLY A 72 -8.493 2.769 11.060 1.00 51.15 C ATOM 810 C GLY A 72 -8.923 3.703 9.954 1.00 60.12 C ATOM 811 O GLY A 72 -10.077 3.692 9.528 1.00 45.21 O ATOM 0 H GLY A 72 -6.461 2.436 10.738 1.00 24.54 H new ATOM 0 HA2 GLY A 72 -8.684 1.737 10.767 1.00 51.15 H new ATOM 0 HA3 GLY A 72 -9.084 2.960 11.956 1.00 51.15 H new ATOM 815 N SER A 73 -7.978 4.517 9.497 1.00 54.23 N ATOM 816 CA SER A 73 -8.202 5.448 8.418 1.00 53.12 C ATOM 817 C SER A 73 -8.499 4.690 7.151 1.00 45.10 C ATOM 818 O SER A 73 -7.946 3.609 6.907 1.00 55.14 O ATOM 819 CB SER A 73 -6.955 6.325 8.223 1.00 0.34 C ATOM 820 OG SER A 73 -7.092 7.255 7.177 1.00 52.23 O ATOM 0 H SER A 73 -7.030 4.543 9.874 1.00 54.23 H new ATOM 0 HA SER A 73 -9.052 6.086 8.661 1.00 53.12 H new ATOM 0 HB2 SER A 73 -6.745 6.858 9.150 1.00 0.34 H new ATOM 0 HB3 SER A 73 -6.096 5.685 8.022 1.00 0.34 H new ATOM 0 HG SER A 73 -6.271 7.785 7.101 1.00 52.23 H new ATOM 826 N ILE A 74 -9.379 5.215 6.381 1.00 62.41 N ATOM 827 CA ILE A 74 -9.719 4.628 5.141 1.00 60.34 C ATOM 828 C ILE A 74 -9.341 5.556 4.021 1.00 10.35 C ATOM 829 O ILE A 74 -9.837 6.684 3.935 1.00 54.24 O ATOM 830 CB ILE A 74 -11.211 4.251 5.099 1.00 12.33 C ATOM 831 CG1 ILE A 74 -11.460 3.125 6.100 1.00 34.03 C ATOM 832 CG2 ILE A 74 -11.634 3.833 3.701 1.00 35.34 C ATOM 833 CD1 ILE A 74 -12.898 2.719 6.228 1.00 25.32 C ATOM 0 H ILE A 74 -9.888 6.072 6.597 1.00 62.41 H new ATOM 0 HA ILE A 74 -9.158 3.702 5.018 1.00 60.34 H new ATOM 0 HB ILE A 74 -11.809 5.121 5.368 1.00 12.33 H new ATOM 0 HG12 ILE A 74 -10.874 2.255 5.803 1.00 34.03 H new ATOM 0 HG13 ILE A 74 -11.094 3.437 7.078 1.00 34.03 H new ATOM 0 HG21 ILE A 74 -12.692 3.573 3.704 1.00 35.34 H new ATOM 0 HG22 ILE A 74 -11.465 4.657 3.008 1.00 35.34 H new ATOM 0 HG23 ILE A 74 -11.049 2.969 3.387 1.00 35.34 H new ATOM 0 HD11 ILE A 74 -12.985 1.915 6.959 1.00 25.32 H new ATOM 0 HD12 ILE A 74 -13.489 3.574 6.557 1.00 25.32 H new ATOM 0 HD13 ILE A 74 -13.266 2.373 5.262 1.00 25.32 H new ATOM 845 N VAL A 75 -8.436 5.100 3.206 1.00 12.24 N ATOM 846 CA VAL A 75 -7.947 5.827 2.055 1.00 64.01 C ATOM 847 C VAL A 75 -7.923 4.871 0.906 1.00 0.41 C ATOM 848 O VAL A 75 -7.734 3.685 1.119 1.00 60.50 O ATOM 849 CB VAL A 75 -6.514 6.435 2.277 1.00 44.52 C ATOM 850 CG1 VAL A 75 -6.522 7.482 3.384 1.00 31.25 C ATOM 851 CG2 VAL A 75 -5.487 5.346 2.594 1.00 31.34 C ATOM 0 H VAL A 75 -8.000 4.185 3.321 1.00 12.24 H new ATOM 0 HA VAL A 75 -8.607 6.673 1.866 1.00 64.01 H new ATOM 0 HB VAL A 75 -6.225 6.919 1.344 1.00 44.52 H new ATOM 0 HG11 VAL A 75 -5.517 7.883 3.513 1.00 31.25 H new ATOM 0 HG12 VAL A 75 -7.203 8.290 3.116 1.00 31.25 H new ATOM 0 HG13 VAL A 75 -6.852 7.023 4.316 1.00 31.25 H new ATOM 0 HG21 VAL A 75 -4.508 5.801 2.742 1.00 31.34 H new ATOM 0 HG22 VAL A 75 -5.783 4.820 3.502 1.00 31.34 H new ATOM 0 HG23 VAL A 75 -5.438 4.640 1.765 1.00 31.34 H new ATOM 861 N PHE A 76 -8.154 5.365 -0.283 1.00 32.55 N ATOM 862 CA PHE A 76 -8.217 4.509 -1.449 1.00 14.44 C ATOM 863 C PHE A 76 -7.275 4.974 -2.526 1.00 75.02 C ATOM 864 O PHE A 76 -6.981 6.185 -2.639 1.00 31.22 O ATOM 865 CB PHE A 76 -9.644 4.457 -2.016 1.00 44.24 C ATOM 866 CG PHE A 76 -10.667 3.899 -1.074 1.00 62.03 C ATOM 867 CD1 PHE A 76 -10.384 2.779 -0.333 1.00 51.44 C ATOM 868 CD2 PHE A 76 -11.908 4.490 -0.940 1.00 33.40 C ATOM 869 CE1 PHE A 76 -11.300 2.245 0.526 1.00 32.03 C ATOM 870 CE2 PHE A 76 -12.848 3.959 -0.079 1.00 15.32 C ATOM 871 CZ PHE A 76 -12.541 2.829 0.655 1.00 21.42 C ATOM 0 H PHE A 76 -8.302 6.356 -0.474 1.00 32.55 H new ATOM 0 HA PHE A 76 -7.919 3.511 -1.127 1.00 14.44 H new ATOM 0 HB2 PHE A 76 -9.944 5.465 -2.303 1.00 44.24 H new ATOM 0 HB3 PHE A 76 -9.639 3.855 -2.925 1.00 44.24 H new ATOM 0 HD1 PHE A 76 -9.416 2.310 -0.432 1.00 51.44 H new ATOM 0 HD2 PHE A 76 -12.145 5.374 -1.513 1.00 33.40 H new ATOM 0 HE1 PHE A 76 -11.053 1.366 1.103 1.00 32.03 H new ATOM 0 HE2 PHE A 76 -13.818 4.424 0.020 1.00 15.32 H new ATOM 0 HZ PHE A 76 -13.272 2.405 1.328 1.00 21.42 H new ATOM 881 N TRP A 77 -6.814 4.047 -3.321 1.00 10.11 N ATOM 882 CA TRP A 77 -5.962 4.372 -4.436 1.00 44.11 C ATOM 883 C TRP A 77 -6.713 4.216 -5.735 1.00 61.15 C ATOM 884 O TRP A 77 -7.456 3.255 -5.928 1.00 10.14 O ATOM 885 CB TRP A 77 -4.702 3.495 -4.492 1.00 72.44 C ATOM 886 CG TRP A 77 -3.783 3.637 -3.326 1.00 70.35 C ATOM 887 CD1 TRP A 77 -3.217 4.784 -2.876 1.00 61.23 C ATOM 888 CD2 TRP A 77 -3.280 2.587 -2.499 1.00 21.25 C ATOM 889 NE1 TRP A 77 -2.411 4.527 -1.803 1.00 31.41 N ATOM 890 CE2 TRP A 77 -2.431 3.179 -1.548 1.00 44.54 C ATOM 891 CE3 TRP A 77 -3.472 1.200 -2.460 1.00 43.22 C ATOM 892 CZ2 TRP A 77 -1.773 2.438 -0.573 1.00 24.45 C ATOM 893 CZ3 TRP A 77 -2.819 0.467 -1.492 1.00 43.42 C ATOM 894 CH2 TRP A 77 -1.980 1.084 -0.562 1.00 71.53 C ATOM 0 H TRP A 77 -7.015 3.052 -3.217 1.00 10.11 H new ATOM 0 HA TRP A 77 -5.652 5.407 -4.294 1.00 44.11 H new ATOM 0 HB2 TRP A 77 -5.007 2.451 -4.570 1.00 72.44 H new ATOM 0 HB3 TRP A 77 -4.151 3.735 -5.401 1.00 72.44 H new ATOM 0 HD1 TRP A 77 -3.380 5.762 -3.305 1.00 61.23 H new ATOM 0 HE1 TRP A 77 -1.881 5.223 -1.278 1.00 31.41 H new ATOM 0 HE3 TRP A 77 -4.119 0.714 -3.175 1.00 43.22 H new ATOM 0 HZ2 TRP A 77 -1.123 2.912 0.148 1.00 24.45 H new ATOM 0 HZ3 TRP A 77 -2.959 -0.603 -1.452 1.00 43.42 H new ATOM 0 HH2 TRP A 77 -1.483 0.480 0.183 1.00 71.53 H new ATOM 905 N ASN A 78 -6.539 5.166 -6.610 1.00 63.33 N ATOM 906 CA ASN A 78 -7.126 5.109 -7.933 1.00 5.04 C ATOM 907 C ASN A 78 -5.999 5.089 -8.939 1.00 11.03 C ATOM 908 O ASN A 78 -5.059 5.894 -8.840 1.00 2.33 O ATOM 909 CB ASN A 78 -8.035 6.324 -8.183 1.00 72.03 C ATOM 910 CG ASN A 78 -8.675 6.326 -9.574 1.00 52.54 C ATOM 911 OD1 ASN A 78 -9.871 5.802 -9.690 1.00 55.43 O flip ATOM 912 ND2 ASN A 78 -8.101 6.831 -10.525 1.00 44.22 N flip ATOM 0 H ASN A 78 -5.987 6.005 -6.433 1.00 63.33 H new ATOM 0 HA ASN A 78 -7.741 4.214 -8.026 1.00 5.04 H new ATOM 0 HB2 ASN A 78 -8.822 6.342 -7.429 1.00 72.03 H new ATOM 0 HB3 ASN A 78 -7.452 7.237 -8.057 1.00 72.03 H new ATOM 0 HD21 ASN A 78 -7.170 7.231 -10.405 1.00 44.22 H new ATOM 0 HD22 ASN A 78 -8.552 6.853 -11.440 1.00 44.22 H new ATOM 919 N TYR A 79 -6.063 4.185 -9.874 1.00 22.41 N ATOM 920 CA TYR A 79 -5.027 4.043 -10.864 1.00 41.42 C ATOM 921 C TYR A 79 -5.617 3.448 -12.124 1.00 53.34 C ATOM 922 O TYR A 79 -6.765 3.004 -12.123 1.00 70.50 O ATOM 923 CB TYR A 79 -3.880 3.156 -10.324 1.00 1.23 C ATOM 924 CG TYR A 79 -4.259 1.708 -10.013 1.00 11.42 C ATOM 925 CD1 TYR A 79 -4.933 1.361 -8.841 1.00 31.13 C ATOM 926 CD2 TYR A 79 -3.929 0.691 -10.893 1.00 74.42 C ATOM 927 CE1 TYR A 79 -5.258 0.042 -8.569 1.00 3.43 C ATOM 928 CE2 TYR A 79 -4.250 -0.617 -10.628 1.00 53.44 C ATOM 929 CZ TYR A 79 -4.908 -0.942 -9.474 1.00 63.33 C ATOM 930 OH TYR A 79 -5.217 -2.260 -9.226 1.00 62.14 O ATOM 0 H TYR A 79 -6.834 3.524 -9.974 1.00 22.41 H new ATOM 0 HA TYR A 79 -4.611 5.024 -11.094 1.00 41.42 H new ATOM 0 HB2 TYR A 79 -3.072 3.153 -11.055 1.00 1.23 H new ATOM 0 HB3 TYR A 79 -3.487 3.613 -9.416 1.00 1.23 H new ATOM 0 HD1 TYR A 79 -5.205 2.132 -8.136 1.00 31.13 H new ATOM 0 HD2 TYR A 79 -3.408 0.932 -11.808 1.00 74.42 H new ATOM 0 HE1 TYR A 79 -5.780 -0.215 -7.659 1.00 3.43 H new ATOM 0 HE2 TYR A 79 -3.982 -1.391 -11.332 1.00 53.44 H new ATOM 0 HH TYR A 79 -4.898 -2.816 -9.967 1.00 62.14 H new ATOM 940 N VAL A 80 -4.855 3.434 -13.181 1.00 13.34 N ATOM 941 CA VAL A 80 -5.311 2.881 -14.426 1.00 12.41 C ATOM 942 C VAL A 80 -4.524 1.626 -14.715 1.00 53.11 C ATOM 943 O VAL A 80 -3.298 1.632 -14.652 1.00 65.40 O ATOM 944 CB VAL A 80 -5.155 3.891 -15.600 1.00 42.32 C ATOM 945 CG1 VAL A 80 -5.646 3.291 -16.920 1.00 31.24 C ATOM 946 CG2 VAL A 80 -5.911 5.176 -15.291 1.00 64.10 C ATOM 0 H VAL A 80 -3.905 3.804 -13.205 1.00 13.34 H new ATOM 0 HA VAL A 80 -6.373 2.652 -14.337 1.00 12.41 H new ATOM 0 HB VAL A 80 -4.095 4.119 -15.710 1.00 42.32 H new ATOM 0 HG11 VAL A 80 -5.523 4.022 -17.720 1.00 31.24 H new ATOM 0 HG12 VAL A 80 -5.065 2.398 -17.152 1.00 31.24 H new ATOM 0 HG13 VAL A 80 -6.699 3.026 -16.829 1.00 31.24 H new ATOM 0 HG21 VAL A 80 -5.795 5.875 -16.119 1.00 64.10 H new ATOM 0 HG22 VAL A 80 -6.968 4.951 -15.152 1.00 64.10 H new ATOM 0 HG23 VAL A 80 -5.512 5.623 -14.380 1.00 64.10 H new ATOM 956 N HIS A 81 -5.219 0.556 -14.988 1.00 23.24 N ATOM 957 CA HIS A 81 -4.581 -0.705 -15.271 1.00 10.44 C ATOM 958 C HIS A 81 -5.290 -1.380 -16.430 1.00 32.15 C ATOM 959 O HIS A 81 -6.478 -1.714 -16.329 1.00 43.14 O ATOM 960 CB HIS A 81 -4.574 -1.575 -14.002 1.00 63.33 C ATOM 961 CG HIS A 81 -3.894 -2.912 -14.118 1.00 23.45 C ATOM 962 ND1 HIS A 81 -2.543 -3.081 -13.965 1.00 11.54 N ATOM 963 CD2 HIS A 81 -4.396 -4.141 -14.346 1.00 31.40 C ATOM 964 CE1 HIS A 81 -2.239 -4.348 -14.098 1.00 73.55 C ATOM 965 NE2 HIS A 81 -3.345 -5.021 -14.332 1.00 54.21 N ATOM 0 H HIS A 81 -6.238 0.531 -15.021 1.00 23.24 H new ATOM 0 HA HIS A 81 -3.543 -0.550 -15.566 1.00 10.44 H new ATOM 0 HB2 HIS A 81 -4.090 -1.013 -13.203 1.00 63.33 H new ATOM 0 HB3 HIS A 81 -5.606 -1.741 -13.695 1.00 63.33 H new ATOM 0 HD2 HIS A 81 -5.435 -4.388 -14.510 1.00 31.40 H new ATOM 0 HE1 HIS A 81 -1.247 -4.769 -14.027 1.00 73.55 H new ATOM 0 HE2 HIS A 81 -3.410 -6.028 -14.478 1.00 54.21 H new ATOM 974 N ASP A 82 -4.564 -1.530 -17.535 1.00 4.53 N ATOM 975 CA ASP A 82 -5.058 -2.119 -18.809 1.00 32.21 C ATOM 976 C ASP A 82 -6.152 -1.268 -19.416 1.00 13.23 C ATOM 977 O ASP A 82 -6.986 -1.750 -20.189 1.00 63.50 O ATOM 978 CB ASP A 82 -5.538 -3.581 -18.647 1.00 32.41 C ATOM 979 CG ASP A 82 -4.426 -4.546 -18.322 1.00 1.34 C ATOM 980 OD1 ASP A 82 -3.646 -4.905 -19.230 1.00 72.44 O ATOM 981 OD2 ASP A 82 -4.305 -4.965 -17.166 1.00 51.14 O ATOM 0 H ASP A 82 -3.587 -1.242 -17.586 1.00 4.53 H new ATOM 0 HA ASP A 82 -4.206 -2.135 -19.489 1.00 32.21 H new ATOM 0 HB2 ASP A 82 -6.288 -3.624 -17.857 1.00 32.41 H new ATOM 0 HB3 ASP A 82 -6.027 -3.899 -19.568 1.00 32.41 H new ATOM 986 N GLY A 83 -6.082 0.018 -19.145 1.00 41.22 N ATOM 987 CA GLY A 83 -7.051 0.949 -19.671 1.00 3.34 C ATOM 988 C GLY A 83 -8.245 1.164 -18.755 1.00 1.32 C ATOM 989 O GLY A 83 -9.025 2.097 -18.962 1.00 55.44 O ATOM 0 H GLY A 83 -5.361 0.441 -18.561 1.00 41.22 H new ATOM 0 HA2 GLY A 83 -6.563 1.907 -19.849 1.00 3.34 H new ATOM 0 HA3 GLY A 83 -7.404 0.587 -20.636 1.00 3.34 H new ATOM 993 N GLU A 84 -8.380 0.345 -17.733 1.00 43.54 N ATOM 994 CA GLU A 84 -9.482 0.499 -16.799 1.00 3.02 C ATOM 995 C GLU A 84 -9.076 1.317 -15.621 1.00 32.44 C ATOM 996 O GLU A 84 -7.922 1.262 -15.175 1.00 41.32 O ATOM 997 CB GLU A 84 -10.005 -0.837 -16.253 1.00 34.24 C ATOM 998 CG GLU A 84 -10.853 -1.680 -17.179 1.00 51.12 C ATOM 999 CD GLU A 84 -10.146 -2.178 -18.400 1.00 33.44 C ATOM 1000 OE1 GLU A 84 -9.366 -3.140 -18.292 1.00 14.20 O ATOM 1001 OE2 GLU A 84 -10.394 -1.632 -19.493 1.00 31.24 O ATOM 0 H GLU A 84 -7.748 -0.428 -17.526 1.00 43.54 H new ATOM 0 HA GLU A 84 -10.270 0.987 -17.373 1.00 3.02 H new ATOM 0 HB2 GLU A 84 -9.147 -1.434 -15.944 1.00 34.24 H new ATOM 0 HB3 GLU A 84 -10.589 -0.630 -15.356 1.00 34.24 H new ATOM 0 HG2 GLU A 84 -11.233 -2.536 -16.622 1.00 51.12 H new ATOM 0 HG3 GLU A 84 -11.718 -1.094 -17.491 1.00 51.12 H new ATOM 1008 N ALA A 85 -10.013 2.067 -15.117 1.00 31.04 N ATOM 1009 CA ALA A 85 -9.813 2.806 -13.909 1.00 12.41 C ATOM 1010 C ALA A 85 -10.077 1.856 -12.779 1.00 51.23 C ATOM 1011 O ALA A 85 -11.198 1.336 -12.641 1.00 21.34 O ATOM 1012 CB ALA A 85 -10.763 3.980 -13.835 1.00 44.51 C ATOM 0 H ALA A 85 -10.937 2.182 -15.534 1.00 31.04 H new ATOM 0 HA ALA A 85 -8.800 3.207 -13.864 1.00 12.41 H new ATOM 0 HB1 ALA A 85 -10.593 4.528 -12.908 1.00 44.51 H new ATOM 0 HB2 ALA A 85 -10.591 4.641 -14.684 1.00 44.51 H new ATOM 0 HB3 ALA A 85 -11.791 3.618 -13.859 1.00 44.51 H new ATOM 1018 N LYS A 86 -9.079 1.590 -12.002 1.00 53.21 N ATOM 1019 CA LYS A 86 -9.194 0.630 -10.965 1.00 31.12 C ATOM 1020 C LYS A 86 -8.974 1.281 -9.625 1.00 35.45 C ATOM 1021 O LYS A 86 -8.083 2.123 -9.470 1.00 41.41 O ATOM 1022 CB LYS A 86 -8.223 -0.520 -11.206 1.00 53.53 C ATOM 1023 CG LYS A 86 -8.370 -1.070 -12.614 1.00 33.22 C ATOM 1024 CD LYS A 86 -7.818 -2.462 -12.820 1.00 53.12 C ATOM 1025 CE LYS A 86 -8.714 -3.534 -12.195 1.00 42.42 C ATOM 1026 NZ LYS A 86 -8.568 -3.685 -10.731 1.00 70.30 N ATOM 0 H LYS A 86 -8.163 2.034 -12.072 1.00 53.21 H new ATOM 0 HA LYS A 86 -10.202 0.216 -10.965 1.00 31.12 H new ATOM 0 HB2 LYS A 86 -7.200 -0.176 -11.051 1.00 53.53 H new ATOM 0 HB3 LYS A 86 -8.406 -1.313 -10.481 1.00 53.53 H new ATOM 0 HG2 LYS A 86 -9.428 -1.073 -12.878 1.00 33.22 H new ATOM 0 HG3 LYS A 86 -7.871 -0.392 -13.306 1.00 33.22 H new ATOM 0 HD2 LYS A 86 -7.712 -2.655 -13.887 1.00 53.12 H new ATOM 0 HD3 LYS A 86 -6.821 -2.524 -12.384 1.00 53.12 H new ATOM 0 HE2 LYS A 86 -9.754 -3.296 -12.420 1.00 42.42 H new ATOM 0 HE3 LYS A 86 -8.497 -4.491 -12.669 1.00 42.42 H new ATOM 0 HZ1 LYS A 86 -8.718 -4.680 -10.468 1.00 70.30 H new ATOM 0 HZ2 LYS A 86 -7.612 -3.392 -10.445 1.00 70.30 H new ATOM 0 HZ3 LYS A 86 -9.271 -3.090 -10.249 1.00 70.30 H new ATOM 1040 N VAL A 87 -9.796 0.930 -8.681 1.00 10.30 N ATOM 1041 CA VAL A 87 -9.741 1.505 -7.362 1.00 20.43 C ATOM 1042 C VAL A 87 -9.379 0.425 -6.370 1.00 22.23 C ATOM 1043 O VAL A 87 -9.856 -0.711 -6.473 1.00 44.11 O ATOM 1044 CB VAL A 87 -11.122 2.136 -6.961 1.00 21.50 C ATOM 1045 CG1 VAL A 87 -11.076 2.756 -5.565 1.00 4.20 C ATOM 1046 CG2 VAL A 87 -11.554 3.179 -7.977 1.00 34.01 C ATOM 0 H VAL A 87 -10.530 0.232 -8.801 1.00 10.30 H new ATOM 0 HA VAL A 87 -8.990 2.295 -7.358 1.00 20.43 H new ATOM 0 HB VAL A 87 -11.853 1.328 -6.948 1.00 21.50 H new ATOM 0 HG11 VAL A 87 -12.050 3.182 -5.324 1.00 4.20 H new ATOM 0 HG12 VAL A 87 -10.825 1.988 -4.834 1.00 4.20 H new ATOM 0 HG13 VAL A 87 -10.320 3.541 -5.540 1.00 4.20 H new ATOM 0 HG21 VAL A 87 -12.513 3.602 -7.679 1.00 34.01 H new ATOM 0 HG22 VAL A 87 -10.807 3.971 -8.025 1.00 34.01 H new ATOM 0 HG23 VAL A 87 -11.653 2.713 -8.957 1.00 34.01 H new ATOM 1056 N ALA A 88 -8.578 0.767 -5.432 1.00 0.04 N ATOM 1057 CA ALA A 88 -8.148 -0.140 -4.418 1.00 52.11 C ATOM 1058 C ALA A 88 -8.864 0.255 -3.172 1.00 71.13 C ATOM 1059 O ALA A 88 -9.075 1.448 -2.943 1.00 53.21 O ATOM 1060 CB ALA A 88 -6.641 -0.032 -4.228 1.00 32.40 C ATOM 0 H ALA A 88 -8.190 1.706 -5.339 1.00 0.04 H new ATOM 0 HA ALA A 88 -8.369 -1.174 -4.684 1.00 52.11 H new ATOM 0 HB1 ALA A 88 -6.321 -0.728 -3.452 1.00 32.40 H new ATOM 0 HB2 ALA A 88 -6.138 -0.276 -5.164 1.00 32.40 H new ATOM 0 HB3 ALA A 88 -6.384 0.985 -3.932 1.00 32.40 H new ATOM 1066 N LYS A 89 -9.334 -0.721 -2.425 1.00 14.02 N ATOM 1067 CA LYS A 89 -10.093 -0.441 -1.247 1.00 44.23 C ATOM 1068 C LYS A 89 -9.502 -1.135 -0.042 1.00 33.52 C ATOM 1069 O LYS A 89 -9.461 -2.370 0.032 1.00 50.42 O ATOM 1070 CB LYS A 89 -11.572 -0.806 -1.461 1.00 13.21 C ATOM 1071 CG LYS A 89 -12.213 -0.013 -2.592 1.00 44.43 C ATOM 1072 CD LYS A 89 -13.658 -0.388 -2.831 1.00 54.03 C ATOM 1073 CE LYS A 89 -14.233 0.446 -3.965 1.00 42.04 C ATOM 1074 NZ LYS A 89 -15.641 0.128 -4.248 1.00 33.14 N ATOM 0 H LYS A 89 -9.198 -1.713 -2.621 1.00 14.02 H new ATOM 0 HA LYS A 89 -10.046 0.630 -1.048 1.00 44.23 H new ATOM 0 HB2 LYS A 89 -11.652 -1.871 -1.678 1.00 13.21 H new ATOM 0 HB3 LYS A 89 -12.124 -0.627 -0.538 1.00 13.21 H new ATOM 0 HG2 LYS A 89 -12.153 1.051 -2.362 1.00 44.43 H new ATOM 0 HG3 LYS A 89 -11.645 -0.174 -3.508 1.00 44.43 H new ATOM 0 HD2 LYS A 89 -13.731 -1.448 -3.075 1.00 54.03 H new ATOM 0 HD3 LYS A 89 -14.238 -0.229 -1.922 1.00 54.03 H new ATOM 0 HE2 LYS A 89 -14.147 1.503 -3.712 1.00 42.04 H new ATOM 0 HE3 LYS A 89 -13.641 0.285 -4.866 1.00 42.04 H new ATOM 0 HZ1 LYS A 89 -15.982 0.725 -5.029 1.00 33.14 H new ATOM 0 HZ2 LYS A 89 -15.724 -0.873 -4.517 1.00 33.14 H new ATOM 0 HZ3 LYS A 89 -16.215 0.307 -3.399 1.00 33.14 H new ATOM 1088 N GLU A 90 -9.131 -0.347 0.932 1.00 12.03 N ATOM 1089 CA GLU A 90 -8.461 -0.807 2.090 1.00 4.00 C ATOM 1090 C GLU A 90 -8.723 0.093 3.293 1.00 1.42 C ATOM 1091 O GLU A 90 -9.335 1.157 3.185 1.00 5.20 O ATOM 1092 CB GLU A 90 -6.938 -0.981 1.854 1.00 72.32 C ATOM 1093 CG GLU A 90 -6.214 0.222 1.224 1.00 20.02 C ATOM 1094 CD GLU A 90 -6.471 0.366 -0.273 1.00 44.53 C ATOM 1095 OE1 GLU A 90 -6.007 -0.509 -1.038 1.00 20.05 O ATOM 1096 OE2 GLU A 90 -7.121 1.343 -0.684 1.00 5.24 O ATOM 0 H GLU A 90 -9.298 0.659 0.929 1.00 12.03 H new ATOM 0 HA GLU A 90 -8.873 -1.791 2.313 1.00 4.00 H new ATOM 0 HB2 GLU A 90 -6.465 -1.205 2.810 1.00 72.32 H new ATOM 0 HB3 GLU A 90 -6.786 -1.849 1.212 1.00 72.32 H new ATOM 0 HG2 GLU A 90 -6.532 1.134 1.729 1.00 20.02 H new ATOM 0 HG3 GLU A 90 -5.142 0.121 1.393 1.00 20.02 H new ATOM 1103 N ARG A 91 -8.290 -0.376 4.419 1.00 3.42 N ATOM 1104 CA ARG A 91 -8.397 0.291 5.676 1.00 40.13 C ATOM 1105 C ARG A 91 -7.036 0.201 6.356 1.00 2.20 C ATOM 1106 O ARG A 91 -6.366 -0.838 6.252 1.00 32.33 O ATOM 1107 CB ARG A 91 -9.431 -0.441 6.545 1.00 75.11 C ATOM 1108 CG ARG A 91 -9.580 0.106 7.954 1.00 50.11 C ATOM 1109 CD ARG A 91 -10.475 -0.790 8.796 1.00 3.44 C ATOM 1110 NE ARG A 91 -10.526 -0.350 10.191 1.00 15.43 N ATOM 1111 CZ ARG A 91 -9.782 -0.887 11.181 1.00 2.24 C ATOM 1112 NH1 ARG A 91 -8.885 -1.834 10.903 1.00 53.54 N ATOM 1113 NH2 ARG A 91 -9.930 -0.469 12.431 1.00 44.41 N ATOM 0 H ARG A 91 -7.828 -1.283 4.490 1.00 3.42 H new ATOM 0 HA ARG A 91 -8.702 1.329 5.541 1.00 40.13 H new ATOM 0 HB2 ARG A 91 -10.400 -0.395 6.048 1.00 75.11 H new ATOM 0 HB3 ARG A 91 -9.154 -1.493 6.606 1.00 75.11 H new ATOM 0 HG2 ARG A 91 -8.599 0.188 8.421 1.00 50.11 H new ATOM 0 HG3 ARG A 91 -10.000 1.111 7.915 1.00 50.11 H new ATOM 0 HD2 ARG A 91 -11.482 -0.793 8.379 1.00 3.44 H new ATOM 0 HD3 ARG A 91 -10.108 -1.815 8.751 1.00 3.44 H new ATOM 0 HE ARG A 91 -11.163 0.410 10.430 1.00 15.43 H new ATOM 0 HH11 ARG A 91 -8.761 -2.153 9.942 1.00 53.54 H new ATOM 0 HH12 ARG A 91 -8.323 -2.240 11.651 1.00 53.54 H new ATOM 0 HH21 ARG A 91 -10.608 0.261 12.648 1.00 44.41 H new ATOM 0 HH22 ARG A 91 -9.365 -0.878 13.176 1.00 44.41 H new ATOM 1127 N ILE A 92 -6.619 1.245 7.024 1.00 73.30 N ATOM 1128 CA ILE A 92 -5.362 1.206 7.758 1.00 73.34 C ATOM 1129 C ILE A 92 -5.551 0.367 9.009 1.00 45.11 C ATOM 1130 O ILE A 92 -6.425 0.654 9.819 1.00 63.53 O ATOM 1131 CB ILE A 92 -4.880 2.634 8.158 1.00 44.21 C ATOM 1132 CG1 ILE A 92 -4.654 3.513 6.909 1.00 73.20 C ATOM 1133 CG2 ILE A 92 -3.619 2.580 9.029 1.00 53.43 C ATOM 1134 CD1 ILE A 92 -3.647 2.954 5.925 1.00 63.21 C ATOM 0 H ILE A 92 -7.121 2.131 7.081 1.00 73.30 H new ATOM 0 HA ILE A 92 -4.601 0.769 7.112 1.00 73.34 H new ATOM 0 HB ILE A 92 -5.670 3.091 8.754 1.00 44.21 H new ATOM 0 HG12 ILE A 92 -5.607 3.648 6.398 1.00 73.20 H new ATOM 0 HG13 ILE A 92 -4.321 4.500 7.230 1.00 73.20 H new ATOM 0 HG21 ILE A 92 -3.312 3.593 9.288 1.00 53.43 H new ATOM 0 HG22 ILE A 92 -3.830 2.020 9.940 1.00 53.43 H new ATOM 0 HG23 ILE A 92 -2.817 2.088 8.478 1.00 53.43 H new ATOM 0 HD11 ILE A 92 -3.550 3.634 5.078 1.00 63.21 H new ATOM 0 HD12 ILE A 92 -2.680 2.845 6.416 1.00 63.21 H new ATOM 0 HD13 ILE A 92 -3.986 1.980 5.571 1.00 63.21 H new ATOM 1146 N GLU A 93 -4.751 -0.659 9.157 1.00 0.41 N ATOM 1147 CA GLU A 93 -4.873 -1.526 10.305 1.00 23.04 C ATOM 1148 C GLU A 93 -3.863 -1.124 11.375 1.00 52.55 C ATOM 1149 O GLU A 93 -4.169 -1.119 12.560 1.00 61.34 O ATOM 1150 CB GLU A 93 -4.668 -2.987 9.895 1.00 30.11 C ATOM 1151 CG GLU A 93 -4.942 -3.989 11.008 1.00 72.35 C ATOM 1152 CD GLU A 93 -6.394 -3.992 11.453 1.00 21.04 C ATOM 1153 OE1 GLU A 93 -6.819 -3.054 12.147 1.00 73.05 O ATOM 1154 OE2 GLU A 93 -7.138 -4.939 11.103 1.00 23.21 O ATOM 0 H GLU A 93 -4.012 -0.915 8.502 1.00 0.41 H new ATOM 0 HA GLU A 93 -5.877 -1.423 10.717 1.00 23.04 H new ATOM 0 HB2 GLU A 93 -5.320 -3.211 9.050 1.00 30.11 H new ATOM 0 HB3 GLU A 93 -3.642 -3.116 9.549 1.00 30.11 H new ATOM 0 HG2 GLU A 93 -4.669 -4.988 10.667 1.00 72.35 H new ATOM 0 HG3 GLU A 93 -4.305 -3.759 11.862 1.00 72.35 H new ATOM 1161 N ALA A 94 -2.669 -0.773 10.942 1.00 12.42 N ATOM 1162 CA ALA A 94 -1.600 -0.372 11.840 1.00 13.02 C ATOM 1163 C ALA A 94 -0.634 0.507 11.081 1.00 22.41 C ATOM 1164 O ALA A 94 -0.365 0.249 9.910 1.00 74.41 O ATOM 1165 CB ALA A 94 -0.878 -1.601 12.381 1.00 21.31 C ATOM 0 H ALA A 94 -2.410 -0.757 9.956 1.00 12.42 H new ATOM 0 HA ALA A 94 -2.015 0.179 12.684 1.00 13.02 H new ATOM 0 HB1 ALA A 94 -0.079 -1.287 13.053 1.00 21.31 H new ATOM 0 HB2 ALA A 94 -1.584 -2.228 12.925 1.00 21.31 H new ATOM 0 HB3 ALA A 94 -0.454 -2.168 11.552 1.00 21.31 H new ATOM 1171 N VAL A 95 -0.142 1.542 11.712 1.00 54.14 N ATOM 1172 CA VAL A 95 0.785 2.444 11.063 1.00 41.31 C ATOM 1173 C VAL A 95 1.799 3.010 12.056 1.00 4.40 C ATOM 1174 O VAL A 95 1.433 3.595 13.081 1.00 72.41 O ATOM 1175 CB VAL A 95 0.058 3.585 10.266 1.00 74.21 C ATOM 1176 CG1 VAL A 95 -0.850 4.414 11.158 1.00 4.43 C ATOM 1177 CG2 VAL A 95 1.061 4.478 9.532 1.00 22.11 C ATOM 0 H VAL A 95 -0.366 1.785 12.677 1.00 54.14 H new ATOM 0 HA VAL A 95 1.333 1.854 10.328 1.00 41.31 H new ATOM 0 HB VAL A 95 -0.572 3.098 9.522 1.00 74.21 H new ATOM 0 HG11 VAL A 95 -1.332 5.191 10.565 1.00 4.43 H new ATOM 0 HG12 VAL A 95 -1.611 3.771 11.601 1.00 4.43 H new ATOM 0 HG13 VAL A 95 -0.260 4.876 11.950 1.00 4.43 H new ATOM 0 HG21 VAL A 95 0.526 5.258 8.990 1.00 22.11 H new ATOM 0 HG22 VAL A 95 1.736 4.937 10.254 1.00 22.11 H new ATOM 0 HG23 VAL A 95 1.636 3.877 8.828 1.00 22.11 H new ATOM 1187 N GLU A 96 3.053 2.823 11.750 1.00 31.53 N ATOM 1188 CA GLU A 96 4.138 3.297 12.565 1.00 70.01 C ATOM 1189 C GLU A 96 4.910 4.359 11.821 1.00 72.53 C ATOM 1190 O GLU A 96 5.634 4.044 10.874 1.00 43.40 O ATOM 1191 CB GLU A 96 5.092 2.153 12.897 1.00 53.13 C ATOM 1192 CG GLU A 96 4.493 1.067 13.751 1.00 41.14 C ATOM 1193 CD GLU A 96 4.042 1.608 15.085 1.00 34.24 C ATOM 1194 OE1 GLU A 96 4.915 1.958 15.904 1.00 51.40 O ATOM 1195 OE2 GLU A 96 2.824 1.700 15.327 1.00 32.24 O ATOM 0 H GLU A 96 3.356 2.328 10.911 1.00 31.53 H new ATOM 0 HA GLU A 96 3.721 3.707 13.485 1.00 70.01 H new ATOM 0 HB2 GLU A 96 5.447 1.711 11.966 1.00 53.13 H new ATOM 0 HB3 GLU A 96 5.964 2.561 13.409 1.00 53.13 H new ATOM 0 HG2 GLU A 96 3.646 0.619 13.232 1.00 41.14 H new ATOM 0 HG3 GLU A 96 5.227 0.276 13.906 1.00 41.14 H new ATOM 1202 N PRO A 97 4.771 5.624 12.215 1.00 12.02 N ATOM 1203 CA PRO A 97 5.501 6.722 11.593 1.00 15.51 C ATOM 1204 C PRO A 97 6.993 6.637 11.899 1.00 34.04 C ATOM 1205 O PRO A 97 7.828 6.954 11.061 1.00 62.00 O ATOM 1206 CB PRO A 97 4.901 7.980 12.244 1.00 52.31 C ATOM 1207 CG PRO A 97 3.633 7.522 12.881 1.00 54.10 C ATOM 1208 CD PRO A 97 3.861 6.098 13.266 1.00 62.35 C ATOM 0 HA PRO A 97 5.411 6.713 10.507 1.00 15.51 H new ATOM 0 HB2 PRO A 97 5.582 8.405 12.982 1.00 52.31 H new ATOM 0 HB3 PRO A 97 4.711 8.755 11.502 1.00 52.31 H new ATOM 0 HG2 PRO A 97 3.393 8.129 13.754 1.00 54.10 H new ATOM 0 HG3 PRO A 97 2.794 7.611 12.190 1.00 54.10 H new ATOM 0 HD2 PRO A 97 4.307 6.012 14.257 1.00 62.35 H new ATOM 0 HD3 PRO A 97 2.931 5.529 13.284 1.00 62.35 H new ATOM 1216 N ASP A 98 7.322 6.202 13.106 1.00 2.42 N ATOM 1217 CA ASP A 98 8.704 6.097 13.517 1.00 63.21 C ATOM 1218 C ASP A 98 9.370 4.850 12.993 1.00 74.53 C ATOM 1219 O ASP A 98 10.555 4.873 12.652 1.00 23.31 O ATOM 1220 CB ASP A 98 8.888 6.227 15.034 1.00 13.03 C ATOM 1221 CG ASP A 98 8.572 7.610 15.558 1.00 4.12 C ATOM 1222 OD1 ASP A 98 9.441 8.500 15.456 1.00 34.21 O ATOM 1223 OD2 ASP A 98 7.449 7.831 16.082 1.00 4.01 O ATOM 0 H ASP A 98 6.646 5.917 13.815 1.00 2.42 H new ATOM 0 HA ASP A 98 9.206 6.950 13.062 1.00 63.21 H new ATOM 0 HB2 ASP A 98 8.247 5.501 15.534 1.00 13.03 H new ATOM 0 HB3 ASP A 98 9.917 5.975 15.291 1.00 13.03 H new ATOM 1228 N LYS A 99 8.622 3.763 12.914 1.00 22.10 N ATOM 1229 CA LYS A 99 9.197 2.511 12.444 1.00 11.35 C ATOM 1230 C LYS A 99 9.004 2.299 10.952 1.00 3.23 C ATOM 1231 O LYS A 99 9.421 1.266 10.417 1.00 44.31 O ATOM 1232 CB LYS A 99 8.666 1.309 13.211 1.00 33.25 C ATOM 1233 CG LYS A 99 8.921 1.381 14.694 1.00 75.23 C ATOM 1234 CD LYS A 99 8.726 0.037 15.351 1.00 23.34 C ATOM 1235 CE LYS A 99 7.301 -0.489 15.210 1.00 41.03 C ATOM 1236 NZ LYS A 99 7.136 -1.808 15.851 1.00 72.43 N ATOM 0 H LYS A 99 7.634 3.719 13.163 1.00 22.10 H new ATOM 0 HA LYS A 99 10.267 2.596 12.634 1.00 11.35 H new ATOM 0 HB2 LYS A 99 7.593 1.223 13.039 1.00 33.25 H new ATOM 0 HB3 LYS A 99 9.126 0.403 12.815 1.00 33.25 H new ATOM 0 HG2 LYS A 99 9.937 1.732 14.874 1.00 75.23 H new ATOM 0 HG3 LYS A 99 8.248 2.110 15.146 1.00 75.23 H new ATOM 0 HD2 LYS A 99 9.419 -0.681 14.912 1.00 23.34 H new ATOM 0 HD3 LYS A 99 8.977 0.115 16.409 1.00 23.34 H new ATOM 0 HE2 LYS A 99 6.606 0.222 15.657 1.00 41.03 H new ATOM 0 HE3 LYS A 99 7.045 -0.564 14.153 1.00 41.03 H new ATOM 0 HZ1 LYS A 99 6.154 -2.131 15.733 1.00 72.43 H new ATOM 0 HZ2 LYS A 99 7.781 -2.493 15.408 1.00 72.43 H new ATOM 0 HZ3 LYS A 99 7.356 -1.731 16.865 1.00 72.43 H new ATOM 1250 N ASN A 100 8.373 3.271 10.286 1.00 53.13 N ATOM 1251 CA ASN A 100 8.131 3.234 8.819 1.00 73.12 C ATOM 1252 C ASN A 100 7.329 1.991 8.421 1.00 40.03 C ATOM 1253 O ASN A 100 7.607 1.360 7.395 1.00 3.40 O ATOM 1254 CB ASN A 100 9.458 3.265 8.027 1.00 21.35 C ATOM 1255 CG ASN A 100 10.294 4.508 8.272 1.00 42.31 C ATOM 1256 OD1 ASN A 100 9.778 5.582 8.568 1.00 32.32 O ATOM 1257 ND2 ASN A 100 11.589 4.368 8.146 1.00 43.23 N ATOM 0 H ASN A 100 8.011 4.111 10.738 1.00 53.13 H new ATOM 0 HA ASN A 100 7.553 4.124 8.570 1.00 73.12 H new ATOM 0 HB2 ASN A 100 10.047 2.386 8.290 1.00 21.35 H new ATOM 0 HB3 ASN A 100 9.236 3.193 6.962 1.00 21.35 H new ATOM 0 HD21 ASN A 100 12.205 5.167 8.295 1.00 43.23 H new ATOM 0 HD22 ASN A 100 11.982 3.460 7.899 1.00 43.23 H new ATOM 1264 N LEU A 101 6.310 1.684 9.200 1.00 30.33 N ATOM 1265 CA LEU A 101 5.481 0.505 8.973 1.00 25.13 C ATOM 1266 C LEU A 101 4.066 0.905 8.721 1.00 11.51 C ATOM 1267 O LEU A 101 3.571 1.843 9.325 1.00 41.35 O ATOM 1268 CB LEU A 101 5.576 -0.499 10.183 1.00 12.04 C ATOM 1269 CG LEU A 101 4.572 -1.709 10.224 1.00 15.35 C ATOM 1270 CD1 LEU A 101 5.051 -2.750 11.182 1.00 31.40 C ATOM 1271 CD2 LEU A 101 3.178 -1.285 10.706 1.00 25.44 C ATOM 0 H LEU A 101 6.030 2.240 10.008 1.00 30.33 H new ATOM 0 HA LEU A 101 5.856 -0.009 8.088 1.00 25.13 H new ATOM 0 HB2 LEU A 101 6.588 -0.905 10.201 1.00 12.04 H new ATOM 0 HB3 LEU A 101 5.446 0.073 11.102 1.00 12.04 H new ATOM 0 HG LEU A 101 4.516 -2.091 9.205 1.00 15.35 H new ATOM 0 HD11 LEU A 101 4.346 -3.581 11.199 1.00 31.40 H new ATOM 0 HD12 LEU A 101 6.030 -3.112 10.867 1.00 31.40 H new ATOM 0 HD13 LEU A 101 5.128 -2.318 12.180 1.00 31.40 H new ATOM 0 HD21 LEU A 101 2.518 -2.152 10.718 1.00 25.44 H new ATOM 0 HD22 LEU A 101 3.251 -0.870 11.711 1.00 25.44 H new ATOM 0 HD23 LEU A 101 2.773 -0.531 10.031 1.00 25.44 H new ATOM 1283 N ILE A 102 3.426 0.213 7.821 1.00 55.20 N ATOM 1284 CA ILE A 102 2.036 0.422 7.580 1.00 42.45 C ATOM 1285 C ILE A 102 1.355 -0.872 7.086 1.00 3.02 C ATOM 1286 O ILE A 102 1.776 -1.490 6.103 1.00 33.33 O ATOM 1287 CB ILE A 102 1.806 1.621 6.629 1.00 64.15 C ATOM 1288 CG1 ILE A 102 0.316 1.876 6.375 1.00 10.22 C ATOM 1289 CG2 ILE A 102 2.579 1.446 5.331 1.00 50.01 C ATOM 1290 CD1 ILE A 102 0.050 3.126 5.558 1.00 21.23 C ATOM 0 H ILE A 102 3.855 -0.507 7.239 1.00 55.20 H new ATOM 0 HA ILE A 102 1.561 0.682 8.526 1.00 42.45 H new ATOM 0 HB ILE A 102 2.193 2.510 7.126 1.00 64.15 H new ATOM 0 HG12 ILE A 102 -0.109 1.016 5.858 1.00 10.22 H new ATOM 0 HG13 ILE A 102 -0.199 1.960 7.332 1.00 10.22 H new ATOM 0 HG21 ILE A 102 2.399 2.303 4.682 1.00 50.01 H new ATOM 0 HG22 ILE A 102 3.645 1.374 5.549 1.00 50.01 H new ATOM 0 HG23 ILE A 102 2.248 0.536 4.831 1.00 50.01 H new ATOM 0 HD11 ILE A 102 -1.024 3.246 5.416 1.00 21.23 H new ATOM 0 HD12 ILE A 102 0.446 3.995 6.083 1.00 21.23 H new ATOM 0 HD13 ILE A 102 0.537 3.036 4.587 1.00 21.23 H new ATOM 1302 N THR A 103 0.354 -1.285 7.814 1.00 5.13 N ATOM 1303 CA THR A 103 -0.452 -2.451 7.479 1.00 42.23 C ATOM 1304 C THR A 103 -1.763 -2.032 6.782 1.00 22.43 C ATOM 1305 O THR A 103 -2.566 -1.255 7.340 1.00 64.34 O ATOM 1306 CB THR A 103 -0.814 -3.238 8.764 1.00 14.31 C ATOM 1307 OG1 THR A 103 0.382 -3.588 9.470 1.00 60.03 O ATOM 1308 CG2 THR A 103 -1.589 -4.514 8.430 1.00 40.43 C ATOM 0 H THR A 103 0.062 -0.820 8.674 1.00 5.13 H new ATOM 0 HA THR A 103 0.135 -3.076 6.806 1.00 42.23 H new ATOM 0 HB THR A 103 -1.443 -2.600 9.385 1.00 14.31 H new ATOM 0 HG1 THR A 103 0.149 -4.084 10.282 1.00 60.03 H new ATOM 0 HG21 THR A 103 -1.829 -5.045 9.351 1.00 40.43 H new ATOM 0 HG22 THR A 103 -2.511 -4.254 7.910 1.00 40.43 H new ATOM 0 HG23 THR A 103 -0.980 -5.153 7.791 1.00 40.43 H new ATOM 1316 N PHE A 104 -1.971 -2.559 5.589 1.00 63.24 N ATOM 1317 CA PHE A 104 -3.162 -2.297 4.804 1.00 41.21 C ATOM 1318 C PHE A 104 -4.086 -3.505 4.899 1.00 60.41 C ATOM 1319 O PHE A 104 -3.657 -4.636 4.663 1.00 70.13 O ATOM 1320 CB PHE A 104 -2.780 -2.090 3.323 1.00 73.52 C ATOM 1321 CG PHE A 104 -1.804 -0.987 3.066 1.00 74.45 C ATOM 1322 CD1 PHE A 104 -2.205 0.335 3.081 1.00 42.14 C ATOM 1323 CD2 PHE A 104 -0.475 -1.278 2.806 1.00 22.23 C ATOM 1324 CE1 PHE A 104 -1.297 1.346 2.838 1.00 53.21 C ATOM 1325 CE2 PHE A 104 0.431 -0.277 2.562 1.00 54.13 C ATOM 1326 CZ PHE A 104 0.026 1.035 2.576 1.00 74.10 C ATOM 0 H PHE A 104 -1.310 -3.188 5.133 1.00 63.24 H new ATOM 0 HA PHE A 104 -3.655 -1.402 5.184 1.00 41.21 H new ATOM 0 HB2 PHE A 104 -2.362 -3.020 2.939 1.00 73.52 H new ATOM 0 HB3 PHE A 104 -3.688 -1.890 2.755 1.00 73.52 H new ATOM 0 HD1 PHE A 104 -3.237 0.579 3.284 1.00 42.14 H new ATOM 0 HD2 PHE A 104 -0.147 -2.307 2.795 1.00 22.23 H new ATOM 0 HE1 PHE A 104 -1.618 2.377 2.852 1.00 53.21 H new ATOM 0 HE2 PHE A 104 1.463 -0.521 2.359 1.00 54.13 H new ATOM 0 HZ PHE A 104 0.739 1.823 2.383 1.00 74.10 H new ATOM 1336 N ARG A 105 -5.314 -3.279 5.278 1.00 24.24 N ATOM 1337 CA ARG A 105 -6.309 -4.327 5.340 1.00 50.22 C ATOM 1338 C ARG A 105 -7.311 -4.036 4.236 1.00 5.33 C ATOM 1339 O ARG A 105 -7.980 -3.026 4.283 1.00 11.52 O ATOM 1340 CB ARG A 105 -6.996 -4.233 6.731 1.00 20.13 C ATOM 1341 CG ARG A 105 -7.895 -5.399 7.203 1.00 53.10 C ATOM 1342 CD ARG A 105 -9.147 -5.664 6.371 1.00 71.43 C ATOM 1343 NE ARG A 105 -9.975 -6.709 7.014 1.00 52.22 N ATOM 1344 CZ ARG A 105 -10.997 -7.390 6.442 1.00 25.32 C ATOM 1345 NH1 ARG A 105 -11.300 -7.207 5.163 1.00 54.23 N ATOM 1346 NH2 ARG A 105 -11.690 -8.279 7.156 1.00 32.30 N ATOM 0 H ARG A 105 -5.659 -2.360 5.555 1.00 24.24 H new ATOM 0 HA ARG A 105 -5.887 -5.324 5.212 1.00 50.22 H new ATOM 0 HB2 ARG A 105 -6.212 -4.099 7.477 1.00 20.13 H new ATOM 0 HB3 ARG A 105 -7.602 -3.327 6.738 1.00 20.13 H new ATOM 0 HG2 ARG A 105 -7.295 -6.309 7.219 1.00 53.10 H new ATOM 0 HG3 ARG A 105 -8.202 -5.201 8.230 1.00 53.10 H new ATOM 0 HD2 ARG A 105 -9.724 -4.745 6.266 1.00 71.43 H new ATOM 0 HD3 ARG A 105 -8.865 -5.980 5.367 1.00 71.43 H new ATOM 0 HE ARG A 105 -9.754 -6.939 7.983 1.00 52.22 H new ATOM 0 HH11 ARG A 105 -10.761 -6.548 4.600 1.00 54.23 H new ATOM 0 HH12 ARG A 105 -12.072 -7.725 4.742 1.00 54.23 H new ATOM 0 HH21 ARG A 105 -11.450 -8.446 8.133 1.00 32.30 H new ATOM 0 HH22 ARG A 105 -12.459 -8.791 6.725 1.00 32.30 H new ATOM 1360 N VAL A 106 -7.423 -4.911 3.274 1.00 22.51 N ATOM 1361 CA VAL A 106 -8.341 -4.701 2.162 1.00 64.23 C ATOM 1362 C VAL A 106 -9.750 -5.014 2.601 1.00 33.54 C ATOM 1363 O VAL A 106 -10.008 -6.099 3.117 1.00 12.01 O ATOM 1364 CB VAL A 106 -7.926 -5.551 0.924 1.00 51.01 C ATOM 1365 CG1 VAL A 106 -8.990 -5.515 -0.165 1.00 1.24 C ATOM 1366 CG2 VAL A 106 -6.618 -5.016 0.369 1.00 72.04 C ATOM 0 H VAL A 106 -6.893 -5.782 3.228 1.00 22.51 H new ATOM 0 HA VAL A 106 -8.297 -3.655 1.859 1.00 64.23 H new ATOM 0 HB VAL A 106 -7.810 -6.586 1.245 1.00 51.01 H new ATOM 0 HG11 VAL A 106 -8.665 -6.119 -1.012 1.00 1.24 H new ATOM 0 HG12 VAL A 106 -9.926 -5.914 0.227 1.00 1.24 H new ATOM 0 HG13 VAL A 106 -9.143 -4.486 -0.491 1.00 1.24 H new ATOM 0 HG21 VAL A 106 -6.322 -5.607 -0.498 1.00 72.04 H new ATOM 0 HG22 VAL A 106 -6.747 -3.975 0.072 1.00 72.04 H new ATOM 0 HG23 VAL A 106 -5.844 -5.081 1.134 1.00 72.04 H new ATOM 1376 N ILE A 107 -10.658 -4.060 2.437 1.00 45.12 N ATOM 1377 CA ILE A 107 -12.021 -4.271 2.905 1.00 35.04 C ATOM 1378 C ILE A 107 -12.947 -4.667 1.764 1.00 54.32 C ATOM 1379 O ILE A 107 -13.911 -5.403 1.968 1.00 10.41 O ATOM 1380 CB ILE A 107 -12.628 -3.067 3.744 1.00 54.33 C ATOM 1381 CG1 ILE A 107 -13.037 -1.826 2.896 1.00 52.44 C ATOM 1382 CG2 ILE A 107 -11.631 -2.630 4.804 1.00 74.42 C ATOM 1383 CD1 ILE A 107 -11.933 -1.110 2.212 1.00 42.34 C ATOM 0 H ILE A 107 -10.483 -3.157 1.996 1.00 45.12 H new ATOM 0 HA ILE A 107 -11.950 -5.102 3.607 1.00 35.04 H new ATOM 0 HB ILE A 107 -13.546 -3.453 4.188 1.00 54.33 H new ATOM 0 HG12 ILE A 107 -13.756 -2.147 2.143 1.00 52.44 H new ATOM 0 HG13 ILE A 107 -13.552 -1.120 3.548 1.00 52.44 H new ATOM 0 HG21 ILE A 107 -12.050 -1.804 5.379 1.00 74.42 H new ATOM 0 HG22 ILE A 107 -11.420 -3.466 5.471 1.00 74.42 H new ATOM 0 HG23 ILE A 107 -10.707 -2.307 4.324 1.00 74.42 H new ATOM 0 HD11 ILE A 107 -12.338 -0.266 1.654 1.00 42.34 H new ATOM 0 HD12 ILE A 107 -11.221 -0.747 2.953 1.00 42.34 H new ATOM 0 HD13 ILE A 107 -11.428 -1.790 1.526 1.00 42.34 H new ATOM 1395 N GLU A 108 -12.634 -4.190 0.564 1.00 62.24 N ATOM 1396 CA GLU A 108 -13.403 -4.492 -0.641 1.00 10.41 C ATOM 1397 C GLU A 108 -12.540 -4.423 -1.850 1.00 45.42 C ATOM 1398 O GLU A 108 -11.368 -4.088 -1.776 1.00 23.21 O ATOM 1399 CB GLU A 108 -14.578 -3.529 -0.847 1.00 64.23 C ATOM 1400 CG GLU A 108 -15.723 -3.728 0.086 1.00 34.41 C ATOM 1401 CD GLU A 108 -16.810 -2.721 -0.113 1.00 11.13 C ATOM 1402 OE1 GLU A 108 -17.639 -2.904 -1.031 1.00 23.24 O ATOM 1403 OE2 GLU A 108 -16.848 -1.719 0.624 1.00 42.42 O ATOM 0 H GLU A 108 -11.835 -3.579 0.398 1.00 62.24 H new ATOM 0 HA GLU A 108 -13.792 -5.500 -0.501 1.00 10.41 H new ATOM 0 HB2 GLU A 108 -14.214 -2.507 -0.740 1.00 64.23 H new ATOM 0 HB3 GLU A 108 -14.939 -3.633 -1.870 1.00 64.23 H new ATOM 0 HG2 GLU A 108 -16.131 -4.729 -0.054 1.00 34.41 H new ATOM 0 HG3 GLU A 108 -15.364 -3.671 1.113 1.00 34.41 H new ATOM 1410 N GLY A 109 -13.126 -4.729 -2.951 1.00 62.44 N ATOM 1411 CA GLY A 109 -12.443 -4.611 -4.204 1.00 21.21 C ATOM 1412 C GLY A 109 -12.186 -5.923 -4.906 1.00 43.33 C ATOM 1413 O GLY A 109 -12.778 -6.967 -4.566 1.00 41.41 O ATOM 0 H GLY A 109 -14.086 -5.067 -3.017 1.00 62.44 H new ATOM 0 HA2 GLY A 109 -13.029 -3.970 -4.863 1.00 21.21 H new ATOM 0 HA3 GLY A 109 -11.489 -4.110 -4.037 1.00 21.21 H new ATOM 1417 N ASP A 110 -11.307 -5.853 -5.887 1.00 63.24 N ATOM 1418 CA ASP A 110 -10.909 -6.971 -6.754 1.00 71.25 C ATOM 1419 C ASP A 110 -10.328 -8.102 -5.941 1.00 25.41 C ATOM 1420 O ASP A 110 -10.717 -9.254 -6.089 1.00 61.33 O ATOM 1421 CB ASP A 110 -9.825 -6.493 -7.736 1.00 23.14 C ATOM 1422 CG ASP A 110 -10.240 -5.300 -8.560 1.00 10.30 C ATOM 1423 OD1 ASP A 110 -10.378 -4.195 -7.989 1.00 64.50 O ATOM 1424 OD2 ASP A 110 -10.381 -5.420 -9.793 1.00 42.11 O ATOM 0 H ASP A 110 -10.825 -4.985 -6.120 1.00 63.24 H new ATOM 0 HA ASP A 110 -11.795 -7.319 -7.285 1.00 71.25 H new ATOM 0 HB2 ASP A 110 -8.925 -6.241 -7.176 1.00 23.14 H new ATOM 0 HB3 ASP A 110 -9.565 -7.313 -8.405 1.00 23.14 H new ATOM 1429 N LEU A 111 -9.409 -7.754 -5.059 1.00 75.42 N ATOM 1430 CA LEU A 111 -8.701 -8.729 -4.225 1.00 74.32 C ATOM 1431 C LEU A 111 -9.659 -9.471 -3.300 1.00 61.11 C ATOM 1432 O LEU A 111 -9.438 -10.628 -2.960 1.00 61.41 O ATOM 1433 CB LEU A 111 -7.610 -8.026 -3.404 1.00 72.04 C ATOM 1434 CG LEU A 111 -6.515 -7.302 -4.209 1.00 31.02 C ATOM 1435 CD1 LEU A 111 -5.550 -6.589 -3.279 1.00 12.53 C ATOM 1436 CD2 LEU A 111 -5.759 -8.278 -5.101 1.00 55.42 C ATOM 0 H LEU A 111 -9.126 -6.788 -4.895 1.00 75.42 H new ATOM 0 HA LEU A 111 -8.238 -9.463 -4.885 1.00 74.32 H new ATOM 0 HB2 LEU A 111 -8.089 -7.300 -2.747 1.00 72.04 H new ATOM 0 HB3 LEU A 111 -7.131 -8.767 -2.764 1.00 72.04 H new ATOM 0 HG LEU A 111 -7.001 -6.561 -4.844 1.00 31.02 H new ATOM 0 HD11 LEU A 111 -4.784 -6.084 -3.867 1.00 12.53 H new ATOM 0 HD12 LEU A 111 -6.093 -5.855 -2.684 1.00 12.53 H new ATOM 0 HD13 LEU A 111 -5.079 -7.316 -2.617 1.00 12.53 H new ATOM 0 HD21 LEU A 111 -4.991 -7.741 -5.659 1.00 55.42 H new ATOM 0 HD22 LEU A 111 -5.290 -9.046 -4.485 1.00 55.42 H new ATOM 0 HD23 LEU A 111 -6.454 -8.746 -5.798 1.00 55.42 H new ATOM 1448 N MET A 112 -10.754 -8.821 -2.951 1.00 52.02 N ATOM 1449 CA MET A 112 -11.724 -9.390 -2.024 1.00 10.42 C ATOM 1450 C MET A 112 -12.536 -10.513 -2.734 1.00 24.33 C ATOM 1451 O MET A 112 -13.255 -11.281 -2.097 1.00 73.54 O ATOM 1452 CB MET A 112 -12.673 -8.293 -1.544 1.00 45.11 C ATOM 1453 CG MET A 112 -13.526 -8.639 -0.312 1.00 42.04 C ATOM 1454 SD MET A 112 -12.750 -8.239 1.306 1.00 32.13 S ATOM 1455 CE MET A 112 -11.205 -9.147 1.312 1.00 3.04 C ATOM 0 H MET A 112 -10.998 -7.893 -3.296 1.00 52.02 H new ATOM 0 HA MET A 112 -11.199 -9.816 -1.169 1.00 10.42 H new ATOM 0 HB2 MET A 112 -12.085 -7.404 -1.317 1.00 45.11 H new ATOM 0 HB3 MET A 112 -13.342 -8.033 -2.364 1.00 45.11 H new ATOM 0 HG2 MET A 112 -14.475 -8.107 -0.384 1.00 42.04 H new ATOM 0 HG3 MET A 112 -13.755 -9.704 -0.335 1.00 42.04 H new ATOM 0 HE1 MET A 112 -10.695 -8.990 2.262 1.00 3.04 H new ATOM 0 HE2 MET A 112 -11.407 -10.210 1.180 1.00 3.04 H new ATOM 0 HE3 MET A 112 -10.572 -8.794 0.498 1.00 3.04 H new ATOM 1465 N LYS A 113 -12.436 -10.567 -4.071 1.00 23.51 N ATOM 1466 CA LYS A 113 -13.099 -11.604 -4.870 1.00 23.12 C ATOM 1467 C LYS A 113 -12.312 -12.906 -4.828 1.00 34.24 C ATOM 1468 O LYS A 113 -12.831 -13.965 -5.170 1.00 5.42 O ATOM 1469 CB LYS A 113 -13.250 -11.144 -6.325 1.00 4.53 C ATOM 1470 CG LYS A 113 -14.025 -9.855 -6.478 1.00 44.15 C ATOM 1471 CD LYS A 113 -15.446 -10.006 -5.987 1.00 53.24 C ATOM 1472 CE LYS A 113 -16.175 -8.687 -6.017 1.00 71.10 C ATOM 1473 NZ LYS A 113 -15.563 -7.686 -5.113 1.00 51.31 N ATOM 0 H LYS A 113 -11.898 -9.899 -4.623 1.00 23.51 H new ATOM 0 HA LYS A 113 -14.087 -11.776 -4.442 1.00 23.12 H new ATOM 0 HB2 LYS A 113 -12.259 -11.016 -6.761 1.00 4.53 H new ATOM 0 HB3 LYS A 113 -13.750 -11.928 -6.894 1.00 4.53 H new ATOM 0 HG2 LYS A 113 -13.528 -9.061 -5.920 1.00 44.15 H new ATOM 0 HG3 LYS A 113 -14.030 -9.554 -7.526 1.00 44.15 H new ATOM 0 HD2 LYS A 113 -15.973 -10.730 -6.608 1.00 53.24 H new ATOM 0 HD3 LYS A 113 -15.443 -10.400 -4.971 1.00 53.24 H new ATOM 0 HE2 LYS A 113 -16.178 -8.299 -7.036 1.00 71.10 H new ATOM 0 HE3 LYS A 113 -17.215 -8.843 -5.732 1.00 71.10 H new ATOM 0 HZ1 LYS A 113 -16.211 -6.881 -4.997 1.00 51.31 H new ATOM 0 HZ2 LYS A 113 -15.381 -8.121 -4.186 1.00 51.31 H new ATOM 0 HZ3 LYS A 113 -14.666 -7.352 -5.521 1.00 51.31 H new ATOM 1487 N GLU A 114 -11.068 -12.822 -4.426 1.00 21.22 N ATOM 1488 CA GLU A 114 -10.232 -14.012 -4.310 1.00 24.10 C ATOM 1489 C GLU A 114 -10.027 -14.367 -2.866 1.00 52.45 C ATOM 1490 O GLU A 114 -10.108 -15.543 -2.466 1.00 11.25 O ATOM 1491 CB GLU A 114 -8.865 -13.831 -4.975 1.00 40.04 C ATOM 1492 CG GLU A 114 -8.875 -13.764 -6.483 1.00 12.43 C ATOM 1493 CD GLU A 114 -7.479 -13.600 -7.061 1.00 13.04 C ATOM 1494 OE1 GLU A 114 -6.564 -14.367 -6.669 1.00 1.44 O ATOM 1495 OE2 GLU A 114 -7.294 -12.726 -7.944 1.00 74.13 O ATOM 0 H GLU A 114 -10.605 -11.950 -4.172 1.00 21.22 H new ATOM 0 HA GLU A 114 -10.758 -14.815 -4.826 1.00 24.10 H new ATOM 0 HB2 GLU A 114 -8.413 -12.916 -4.592 1.00 40.04 H new ATOM 0 HB3 GLU A 114 -8.221 -14.656 -4.670 1.00 40.04 H new ATOM 0 HG2 GLU A 114 -9.327 -14.672 -6.882 1.00 12.43 H new ATOM 0 HG3 GLU A 114 -9.499 -12.930 -6.804 1.00 12.43 H new ATOM 1502 N TYR A 115 -9.765 -13.369 -2.080 1.00 43.41 N ATOM 1503 CA TYR A 115 -9.458 -13.567 -0.707 1.00 15.24 C ATOM 1504 C TYR A 115 -10.528 -12.897 0.086 1.00 62.44 C ATOM 1505 O TYR A 115 -10.913 -11.790 -0.221 1.00 64.33 O ATOM 1506 CB TYR A 115 -8.087 -12.932 -0.395 1.00 51.52 C ATOM 1507 CG TYR A 115 -7.112 -13.110 -1.533 1.00 4.14 C ATOM 1508 CD1 TYR A 115 -6.646 -14.366 -1.900 1.00 61.44 C ATOM 1509 CD2 TYR A 115 -6.727 -12.021 -2.295 1.00 32.23 C ATOM 1510 CE1 TYR A 115 -5.813 -14.516 -2.986 1.00 33.20 C ATOM 1511 CE2 TYR A 115 -5.916 -12.167 -3.387 1.00 24.13 C ATOM 1512 CZ TYR A 115 -5.455 -13.411 -3.727 1.00 54.14 C ATOM 1513 OH TYR A 115 -4.683 -13.556 -4.842 1.00 70.53 O ATOM 0 H TYR A 115 -9.759 -12.394 -2.378 1.00 43.41 H new ATOM 0 HA TYR A 115 -9.410 -14.628 -0.461 1.00 15.24 H new ATOM 0 HB2 TYR A 115 -8.217 -11.869 -0.191 1.00 51.52 H new ATOM 0 HB3 TYR A 115 -7.676 -13.382 0.509 1.00 51.52 H new ATOM 0 HD1 TYR A 115 -6.940 -15.234 -1.328 1.00 61.44 H new ATOM 0 HD2 TYR A 115 -7.074 -11.035 -2.022 1.00 32.23 H new ATOM 0 HE1 TYR A 115 -5.442 -15.494 -3.255 1.00 33.20 H new ATOM 0 HE2 TYR A 115 -5.641 -11.306 -3.978 1.00 24.13 H new ATOM 0 HH TYR A 115 -5.239 -13.866 -5.587 1.00 70.53 H new ATOM 1523 N LYS A 116 -11.003 -13.555 1.092 1.00 63.34 N ATOM 1524 CA LYS A 116 -12.060 -13.020 1.921 1.00 41.11 C ATOM 1525 C LYS A 116 -11.517 -12.151 3.040 1.00 62.44 C ATOM 1526 O LYS A 116 -12.265 -11.628 3.869 1.00 60.04 O ATOM 1527 CB LYS A 116 -13.009 -14.126 2.391 1.00 31.00 C ATOM 1528 CG LYS A 116 -12.327 -15.376 2.932 1.00 4.14 C ATOM 1529 CD LYS A 116 -13.344 -16.494 3.179 1.00 0.00 C ATOM 1530 CE LYS A 116 -14.310 -16.182 4.314 1.00 55.13 C ATOM 1531 NZ LYS A 116 -13.664 -16.225 5.644 1.00 2.43 N ATOM 0 H LYS A 116 -10.677 -14.480 1.372 1.00 63.34 H new ATOM 0 HA LYS A 116 -12.666 -12.349 1.312 1.00 41.11 H new ATOM 0 HB2 LYS A 116 -13.658 -13.721 3.167 1.00 31.00 H new ATOM 0 HB3 LYS A 116 -13.649 -14.413 1.557 1.00 31.00 H new ATOM 0 HG2 LYS A 116 -11.571 -15.717 2.225 1.00 4.14 H new ATOM 0 HG3 LYS A 116 -11.809 -15.139 3.861 1.00 4.14 H new ATOM 0 HD2 LYS A 116 -13.911 -16.670 2.265 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -12.812 -17.418 3.406 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -14.742 -15.194 4.156 1.00 55.13 H new ATOM 0 HE3 LYS A 116 -15.133 -16.896 4.291 1.00 55.13 H new ATOM 0 HZ1 LYS A 116 -14.363 -15.989 6.377 1.00 2.43 H new ATOM 0 HZ2 LYS A 116 -13.290 -17.180 5.817 1.00 2.43 H new ATOM 0 HZ3 LYS A 116 -12.885 -15.537 5.674 1.00 2.43 H new ATOM 1545 N SER A 117 -10.217 -11.996 3.032 1.00 2.14 N ATOM 1546 CA SER A 117 -9.507 -11.112 3.887 1.00 54.31 C ATOM 1547 C SER A 117 -8.093 -11.044 3.368 1.00 51.22 C ATOM 1548 O SER A 117 -7.556 -12.057 2.913 1.00 72.03 O ATOM 1549 CB SER A 117 -9.568 -11.589 5.328 1.00 41.42 C ATOM 1550 OG SER A 117 -8.897 -10.710 6.212 1.00 23.20 O ATOM 0 H SER A 117 -9.608 -12.511 2.396 1.00 2.14 H new ATOM 0 HA SER A 117 -9.951 -10.117 3.884 1.00 54.31 H new ATOM 0 HB2 SER A 117 -10.610 -11.683 5.634 1.00 41.42 H new ATOM 0 HB3 SER A 117 -9.124 -12.582 5.399 1.00 41.42 H new ATOM 0 HG SER A 117 -8.962 -11.054 7.127 1.00 23.20 H new ATOM 1556 N PHE A 118 -7.520 -9.871 3.370 1.00 61.51 N ATOM 1557 CA PHE A 118 -6.196 -9.667 2.841 1.00 15.42 C ATOM 1558 C PHE A 118 -5.528 -8.507 3.542 1.00 12.10 C ATOM 1559 O PHE A 118 -6.030 -7.377 3.505 1.00 14.51 O ATOM 1560 CB PHE A 118 -6.264 -9.427 1.305 1.00 1.33 C ATOM 1561 CG PHE A 118 -4.939 -9.093 0.654 1.00 54.42 C ATOM 1562 CD1 PHE A 118 -4.012 -10.072 0.381 1.00 53.33 C ATOM 1563 CD2 PHE A 118 -4.632 -7.793 0.322 1.00 45.00 C ATOM 1564 CE1 PHE A 118 -2.809 -9.764 -0.203 1.00 21.24 C ATOM 1565 CE2 PHE A 118 -3.431 -7.476 -0.268 1.00 23.30 C ATOM 1566 CZ PHE A 118 -2.517 -8.461 -0.530 1.00 72.54 C ATOM 0 H PHE A 118 -7.958 -9.027 3.739 1.00 61.51 H new ATOM 0 HA PHE A 118 -5.599 -10.561 3.020 1.00 15.42 H new ATOM 0 HB2 PHE A 118 -6.671 -10.320 0.830 1.00 1.33 H new ATOM 0 HB3 PHE A 118 -6.964 -8.614 1.109 1.00 1.33 H new ATOM 0 HD1 PHE A 118 -4.234 -11.099 0.630 1.00 53.33 H new ATOM 0 HD2 PHE A 118 -5.346 -7.009 0.528 1.00 45.00 H new ATOM 0 HE1 PHE A 118 -2.092 -10.545 -0.406 1.00 21.24 H new ATOM 0 HE2 PHE A 118 -3.209 -6.451 -0.525 1.00 23.30 H new ATOM 0 HZ PHE A 118 -1.572 -8.216 -0.991 1.00 72.54 H new ATOM 1576 N LEU A 119 -4.434 -8.784 4.216 1.00 12.51 N ATOM 1577 CA LEU A 119 -3.664 -7.750 4.851 1.00 43.02 C ATOM 1578 C LEU A 119 -2.235 -7.830 4.430 1.00 61.51 C ATOM 1579 O LEU A 119 -1.680 -8.923 4.251 1.00 34.14 O ATOM 1580 CB LEU A 119 -3.723 -7.765 6.385 1.00 40.01 C ATOM 1581 CG LEU A 119 -5.069 -7.525 7.048 1.00 20.04 C ATOM 1582 CD1 LEU A 119 -5.967 -8.753 7.024 1.00 23.24 C ATOM 1583 CD2 LEU A 119 -4.886 -6.958 8.437 1.00 50.45 C ATOM 0 H LEU A 119 -4.060 -9.725 4.336 1.00 12.51 H new ATOM 0 HA LEU A 119 -4.121 -6.817 4.523 1.00 43.02 H new ATOM 0 HB2 LEU A 119 -3.351 -8.732 6.724 1.00 40.01 H new ATOM 0 HB3 LEU A 119 -3.029 -7.009 6.754 1.00 40.01 H new ATOM 0 HG LEU A 119 -5.597 -6.777 6.456 1.00 20.04 H new ATOM 0 HD11 LEU A 119 -6.914 -8.521 7.512 1.00 23.24 H new ATOM 0 HD12 LEU A 119 -6.153 -9.047 5.991 1.00 23.24 H new ATOM 0 HD13 LEU A 119 -5.478 -9.572 7.552 1.00 23.24 H new ATOM 0 HD21 LEU A 119 -5.862 -6.793 8.894 1.00 50.45 H new ATOM 0 HD22 LEU A 119 -4.314 -7.660 9.044 1.00 50.45 H new ATOM 0 HD23 LEU A 119 -4.350 -6.011 8.376 1.00 50.45 H new ATOM 1595 N LEU A 120 -1.641 -6.702 4.281 1.00 43.32 N ATOM 1596 CA LEU A 120 -0.265 -6.625 3.905 1.00 5.31 C ATOM 1597 C LEU A 120 0.401 -5.493 4.635 1.00 0.11 C ATOM 1598 O LEU A 120 -0.094 -4.364 4.644 1.00 55.35 O ATOM 1599 CB LEU A 120 -0.060 -6.500 2.367 1.00 74.24 C ATOM 1600 CG LEU A 120 -0.577 -5.232 1.643 1.00 2.21 C ATOM 1601 CD1 LEU A 120 -0.166 -5.276 0.191 1.00 2.22 C ATOM 1602 CD2 LEU A 120 -2.088 -5.103 1.731 1.00 13.43 C ATOM 0 H LEU A 120 -2.093 -5.798 4.416 1.00 43.32 H new ATOM 0 HA LEU A 120 0.204 -7.566 4.193 1.00 5.31 H new ATOM 0 HB2 LEU A 120 1.009 -6.579 2.170 1.00 74.24 H new ATOM 0 HB3 LEU A 120 -0.535 -7.363 1.900 1.00 74.24 H new ATOM 0 HG LEU A 120 -0.136 -4.367 2.138 1.00 2.21 H new ATOM 0 HD11 LEU A 120 -0.530 -4.383 -0.317 1.00 2.22 H new ATOM 0 HD12 LEU A 120 0.921 -5.315 0.122 1.00 2.22 H new ATOM 0 HD13 LEU A 120 -0.592 -6.162 -0.281 1.00 2.22 H new ATOM 0 HD21 LEU A 120 -2.407 -4.200 1.210 1.00 13.43 H new ATOM 0 HD22 LEU A 120 -2.555 -5.973 1.269 1.00 13.43 H new ATOM 0 HD23 LEU A 120 -2.388 -5.043 2.777 1.00 13.43 H new ATOM 1614 N THR A 121 1.472 -5.795 5.274 1.00 34.20 N ATOM 1615 CA THR A 121 2.223 -4.814 5.988 1.00 43.40 C ATOM 1616 C THR A 121 3.492 -4.499 5.248 1.00 34.33 C ATOM 1617 O THR A 121 4.200 -5.409 4.825 1.00 40.31 O ATOM 1618 CB THR A 121 2.580 -5.310 7.396 1.00 11.53 C ATOM 1619 OG1 THR A 121 1.382 -5.658 8.094 1.00 72.20 O ATOM 1620 CG2 THR A 121 3.318 -4.231 8.172 1.00 3.41 C ATOM 0 H THR A 121 1.860 -6.737 5.320 1.00 34.20 H new ATOM 0 HA THR A 121 1.607 -3.919 6.073 1.00 43.40 H new ATOM 0 HB THR A 121 3.227 -6.183 7.306 1.00 11.53 H new ATOM 0 HG1 THR A 121 1.147 -4.940 8.718 1.00 72.20 H new ATOM 0 HG21 THR A 121 3.562 -4.602 9.168 1.00 3.41 H new ATOM 0 HG22 THR A 121 4.236 -3.969 7.647 1.00 3.41 H new ATOM 0 HG23 THR A 121 2.685 -3.348 8.259 1.00 3.41 H new ATOM 1628 N ILE A 122 3.765 -3.238 5.067 1.00 22.20 N ATOM 1629 CA ILE A 122 4.994 -2.839 4.472 1.00 55.13 C ATOM 1630 C ILE A 122 5.781 -2.022 5.465 1.00 53.23 C ATOM 1631 O ILE A 122 5.223 -1.174 6.172 1.00 41.12 O ATOM 1632 CB ILE A 122 4.822 -2.046 3.141 1.00 13.12 C ATOM 1633 CG1 ILE A 122 4.082 -0.735 3.341 1.00 63.23 C ATOM 1634 CG2 ILE A 122 4.095 -2.887 2.125 1.00 32.12 C ATOM 1635 CD1 ILE A 122 4.010 0.120 2.084 1.00 22.02 C ATOM 0 H ILE A 122 3.145 -2.471 5.327 1.00 22.20 H new ATOM 0 HA ILE A 122 5.530 -3.751 4.208 1.00 55.13 H new ATOM 0 HB ILE A 122 5.822 -1.809 2.779 1.00 13.12 H new ATOM 0 HG12 ILE A 122 3.070 -0.947 3.685 1.00 63.23 H new ATOM 0 HG13 ILE A 122 4.574 -0.166 4.130 1.00 63.23 H new ATOM 0 HG21 ILE A 122 3.981 -2.322 1.200 1.00 32.12 H new ATOM 0 HG22 ILE A 122 4.666 -3.794 1.928 1.00 32.12 H new ATOM 0 HG23 ILE A 122 3.111 -3.154 2.511 1.00 32.12 H new ATOM 0 HD11 ILE A 122 3.468 1.040 2.301 1.00 22.02 H new ATOM 0 HD12 ILE A 122 5.019 0.363 1.751 1.00 22.02 H new ATOM 0 HD13 ILE A 122 3.491 -0.430 1.299 1.00 22.02 H new ATOM 1647 N GLN A 123 7.033 -2.312 5.573 1.00 4.50 N ATOM 1648 CA GLN A 123 7.893 -1.572 6.440 1.00 53.32 C ATOM 1649 C GLN A 123 9.175 -1.283 5.712 1.00 5.45 C ATOM 1650 O GLN A 123 9.829 -2.198 5.194 1.00 54.53 O ATOM 1651 CB GLN A 123 8.134 -2.328 7.747 1.00 61.34 C ATOM 1652 CG GLN A 123 8.939 -1.553 8.777 1.00 74.45 C ATOM 1653 CD GLN A 123 9.027 -2.271 10.106 1.00 5.15 C ATOM 1654 OE1 GLN A 123 9.011 -3.494 10.170 1.00 32.45 O ATOM 1655 NE2 GLN A 123 9.088 -1.519 11.176 1.00 65.34 N ATOM 0 H GLN A 123 7.492 -3.068 5.064 1.00 4.50 H new ATOM 0 HA GLN A 123 7.422 -0.627 6.713 1.00 53.32 H new ATOM 0 HB2 GLN A 123 7.171 -2.595 8.182 1.00 61.34 H new ATOM 0 HB3 GLN A 123 8.653 -3.260 7.524 1.00 61.34 H new ATOM 0 HG2 GLN A 123 9.945 -1.382 8.393 1.00 74.45 H new ATOM 0 HG3 GLN A 123 8.484 -0.574 8.927 1.00 74.45 H new ATOM 0 HE21 GLN A 123 9.100 -0.503 11.085 1.00 65.34 H new ATOM 0 HE22 GLN A 123 9.124 -1.949 12.100 1.00 65.34 H new ATOM 1664 N VAL A 124 9.516 -0.027 5.634 1.00 33.20 N ATOM 1665 CA VAL A 124 10.677 0.390 4.893 1.00 74.42 C ATOM 1666 C VAL A 124 11.875 0.545 5.819 1.00 21.21 C ATOM 1667 O VAL A 124 11.881 1.393 6.725 1.00 12.14 O ATOM 1668 CB VAL A 124 10.415 1.724 4.132 1.00 42.52 C ATOM 1669 CG1 VAL A 124 11.620 2.117 3.293 1.00 32.31 C ATOM 1670 CG2 VAL A 124 9.174 1.609 3.255 1.00 30.21 C ATOM 0 H VAL A 124 9.002 0.733 6.079 1.00 33.20 H new ATOM 0 HA VAL A 124 10.895 -0.384 4.157 1.00 74.42 H new ATOM 0 HB VAL A 124 10.245 2.505 4.873 1.00 42.52 H new ATOM 0 HG11 VAL A 124 11.411 3.051 2.772 1.00 32.31 H new ATOM 0 HG12 VAL A 124 12.487 2.248 3.940 1.00 32.31 H new ATOM 0 HG13 VAL A 124 11.827 1.333 2.564 1.00 32.31 H new ATOM 0 HG21 VAL A 124 9.009 2.551 2.733 1.00 30.21 H new ATOM 0 HG22 VAL A 124 9.316 0.810 2.527 1.00 30.21 H new ATOM 0 HG23 VAL A 124 8.308 1.383 3.877 1.00 30.21 H new ATOM 1680 N THR A 125 12.855 -0.280 5.614 1.00 21.34 N ATOM 1681 CA THR A 125 14.065 -0.228 6.367 1.00 74.44 C ATOM 1682 C THR A 125 15.242 0.155 5.497 1.00 55.11 C ATOM 1683 O THR A 125 15.280 -0.189 4.312 1.00 74.22 O ATOM 1684 CB THR A 125 14.354 -1.556 7.086 1.00 31.25 C ATOM 1685 OG1 THR A 125 14.074 -2.671 6.224 1.00 54.31 O ATOM 1686 CG2 THR A 125 13.595 -1.660 8.390 1.00 12.02 C ATOM 0 H THR A 125 12.834 -1.017 4.909 1.00 21.34 H new ATOM 0 HA THR A 125 13.925 0.543 7.124 1.00 74.44 H new ATOM 0 HB THR A 125 15.416 -1.579 7.332 1.00 31.25 H new ATOM 0 HG1 THR A 125 14.412 -3.494 6.634 1.00 54.31 H new ATOM 0 HG21 THR A 125 13.824 -2.612 8.870 1.00 12.02 H new ATOM 0 HG22 THR A 125 13.888 -0.842 9.048 1.00 12.02 H new ATOM 0 HG23 THR A 125 12.524 -1.601 8.194 1.00 12.02 H new ATOM 1694 N PRO A 126 16.188 0.905 6.062 1.00 3.04 N ATOM 1695 CA PRO A 126 17.438 1.289 5.392 1.00 13.21 C ATOM 1696 C PRO A 126 18.160 0.068 4.792 1.00 12.41 C ATOM 1697 O PRO A 126 18.168 -1.011 5.398 1.00 54.22 O ATOM 1698 CB PRO A 126 18.280 1.868 6.554 1.00 20.10 C ATOM 1699 CG PRO A 126 17.537 1.485 7.799 1.00 15.42 C ATOM 1700 CD PRO A 126 16.120 1.470 7.412 1.00 63.03 C ATOM 0 HA PRO A 126 17.274 1.978 4.564 1.00 13.21 H new ATOM 0 HB2 PRO A 126 19.289 1.456 6.554 1.00 20.10 H new ATOM 0 HB3 PRO A 126 18.378 2.950 6.470 1.00 20.10 H new ATOM 0 HG2 PRO A 126 17.856 0.509 8.163 1.00 15.42 H new ATOM 0 HG3 PRO A 126 17.719 2.200 8.602 1.00 15.42 H new ATOM 0 HD2 PRO A 126 15.519 0.856 8.083 1.00 63.03 H new ATOM 0 HD3 PRO A 126 15.684 2.469 7.416 1.00 63.03 H new ATOM 1708 N LYS A 127 18.740 0.243 3.609 1.00 5.30 N ATOM 1709 CA LYS A 127 19.490 -0.816 2.940 1.00 74.11 C ATOM 1710 C LYS A 127 20.708 -1.190 3.798 1.00 73.32 C ATOM 1711 O LYS A 127 21.610 -0.378 3.980 1.00 5.34 O ATOM 1712 CB LYS A 127 19.937 -0.335 1.543 1.00 2.24 C ATOM 1713 CG LYS A 127 20.740 -1.337 0.703 1.00 63.42 C ATOM 1714 CD LYS A 127 19.940 -2.587 0.345 1.00 54.45 C ATOM 1715 CE LYS A 127 20.773 -3.522 -0.526 1.00 32.45 C ATOM 1716 NZ LYS A 127 20.078 -4.791 -0.850 1.00 34.41 N ATOM 0 H LYS A 127 18.704 1.119 3.088 1.00 5.30 H new ATOM 0 HA LYS A 127 18.859 -1.696 2.816 1.00 74.11 H new ATOM 0 HB2 LYS A 127 19.049 -0.050 0.979 1.00 2.24 H new ATOM 0 HB3 LYS A 127 20.538 0.566 1.668 1.00 2.24 H new ATOM 0 HG2 LYS A 127 21.073 -0.850 -0.213 1.00 63.42 H new ATOM 0 HG3 LYS A 127 21.635 -1.629 1.252 1.00 63.42 H new ATOM 0 HD2 LYS A 127 19.635 -3.104 1.255 1.00 54.45 H new ATOM 0 HD3 LYS A 127 19.029 -2.304 -0.182 1.00 54.45 H new ATOM 0 HE2 LYS A 127 21.032 -3.010 -1.453 1.00 32.45 H new ATOM 0 HE3 LYS A 127 21.708 -3.748 -0.014 1.00 32.45 H new ATOM 0 HZ1 LYS A 127 20.780 -5.521 -1.087 1.00 34.41 H new ATOM 0 HZ2 LYS A 127 19.521 -5.101 -0.029 1.00 34.41 H new ATOM 0 HZ3 LYS A 127 19.445 -4.643 -1.662 1.00 34.41 H new ATOM 1772 N GLY A 132 19.884 3.455 -0.163 1.00 74.31 N ATOM 1773 CA GLY A 132 18.656 2.863 -0.612 1.00 40.21 C ATOM 1774 C GLY A 132 17.887 2.301 0.554 1.00 43.43 C ATOM 1775 O GLY A 132 18.312 2.448 1.716 1.00 12.34 O ATOM 0 HA2 GLY A 132 18.052 3.610 -1.128 1.00 40.21 H new ATOM 0 HA3 GLY A 132 18.868 2.072 -1.331 1.00 40.21 H new ATOM 1779 N SER A 133 16.772 1.678 0.293 1.00 51.04 N ATOM 1780 CA SER A 133 15.978 1.078 1.335 1.00 52.13 C ATOM 1781 C SER A 133 15.220 -0.133 0.829 1.00 24.51 C ATOM 1782 O SER A 133 14.976 -0.277 -0.382 1.00 54.24 O ATOM 1783 CB SER A 133 15.044 2.111 1.967 1.00 74.34 C ATOM 1784 OG SER A 133 15.804 3.145 2.597 1.00 44.53 O ATOM 0 H SER A 133 16.386 1.570 -0.645 1.00 51.04 H new ATOM 0 HA SER A 133 16.654 0.724 2.113 1.00 52.13 H new ATOM 0 HB2 SER A 133 14.395 2.540 1.204 1.00 74.34 H new ATOM 0 HB3 SER A 133 14.398 1.627 2.699 1.00 74.34 H new ATOM 0 HG SER A 133 16.760 2.964 2.484 1.00 44.53 H new ATOM 1790 N ILE A 134 14.880 -1.006 1.742 1.00 41.33 N ATOM 1791 CA ILE A 134 14.179 -2.217 1.437 1.00 24.02 C ATOM 1792 C ILE A 134 12.793 -2.120 2.012 1.00 64.11 C ATOM 1793 O ILE A 134 12.610 -1.661 3.142 1.00 33.04 O ATOM 1794 CB ILE A 134 14.864 -3.437 2.103 1.00 40.31 C ATOM 1795 CG1 ILE A 134 16.306 -3.547 1.667 1.00 44.05 C ATOM 1796 CG2 ILE A 134 14.117 -4.744 1.811 1.00 62.20 C ATOM 1797 CD1 ILE A 134 16.500 -3.761 0.193 1.00 10.21 C ATOM 0 H ILE A 134 15.088 -0.889 2.734 1.00 41.33 H new ATOM 0 HA ILE A 134 14.169 -2.347 0.355 1.00 24.02 H new ATOM 0 HB ILE A 134 14.834 -3.274 3.180 1.00 40.31 H new ATOM 0 HG12 ILE A 134 16.831 -2.638 1.961 1.00 44.05 H new ATOM 0 HG13 ILE A 134 16.772 -4.372 2.205 1.00 44.05 H new ATOM 0 HG21 ILE A 134 14.631 -5.573 2.297 1.00 62.20 H new ATOM 0 HG22 ILE A 134 13.099 -4.674 2.194 1.00 62.20 H new ATOM 0 HG23 ILE A 134 14.089 -4.915 0.735 1.00 62.20 H new ATOM 0 HD11 ILE A 134 17.565 -3.828 -0.028 1.00 10.21 H new ATOM 0 HD12 ILE A 134 16.008 -4.686 -0.108 1.00 10.21 H new ATOM 0 HD13 ILE A 134 16.068 -2.925 -0.356 1.00 10.21 H new ATOM 1809 N VAL A 135 11.843 -2.539 1.269 1.00 3.24 N ATOM 1810 CA VAL A 135 10.488 -2.560 1.749 1.00 70.30 C ATOM 1811 C VAL A 135 10.150 -3.981 2.066 1.00 54.31 C ATOM 1812 O VAL A 135 10.153 -4.840 1.172 1.00 2.51 O ATOM 1813 CB VAL A 135 9.452 -2.066 0.713 1.00 13.34 C ATOM 1814 CG1 VAL A 135 8.090 -1.867 1.362 1.00 13.12 C ATOM 1815 CG2 VAL A 135 9.905 -0.825 0.011 1.00 31.04 C ATOM 0 H VAL A 135 11.965 -2.878 0.315 1.00 3.24 H new ATOM 0 HA VAL A 135 10.438 -1.891 2.608 1.00 70.30 H new ATOM 0 HB VAL A 135 9.358 -2.842 -0.047 1.00 13.34 H new ATOM 0 HG11 VAL A 135 7.378 -1.519 0.614 1.00 13.12 H new ATOM 0 HG12 VAL A 135 7.745 -2.812 1.780 1.00 13.12 H new ATOM 0 HG13 VAL A 135 8.171 -1.126 2.158 1.00 13.12 H new ATOM 0 HG21 VAL A 135 9.146 -0.515 -0.707 1.00 31.04 H new ATOM 0 HG22 VAL A 135 10.060 -0.030 0.741 1.00 31.04 H new ATOM 0 HG23 VAL A 135 10.840 -1.024 -0.513 1.00 31.04 H new ATOM 1825 N HIS A 136 9.894 -4.254 3.299 1.00 72.23 N ATOM 1826 CA HIS A 136 9.498 -5.575 3.670 1.00 43.42 C ATOM 1827 C HIS A 136 8.014 -5.677 3.581 1.00 10.41 C ATOM 1828 O HIS A 136 7.295 -5.028 4.335 1.00 25.14 O ATOM 1829 CB HIS A 136 9.982 -5.960 5.075 1.00 42.13 C ATOM 1830 CG HIS A 136 11.465 -6.118 5.193 1.00 72.22 C ATOM 1831 ND1 HIS A 136 12.092 -7.339 5.139 1.00 71.14 N ATOM 1832 CD2 HIS A 136 12.446 -5.207 5.374 1.00 0.31 C ATOM 1833 CE1 HIS A 136 13.387 -7.177 5.284 1.00 42.53 C ATOM 1834 NE2 HIS A 136 13.629 -5.893 5.426 1.00 14.11 N ATOM 0 H HIS A 136 9.950 -3.585 4.067 1.00 72.23 H new ATOM 0 HA HIS A 136 9.965 -6.277 2.980 1.00 43.42 H new ATOM 0 HB2 HIS A 136 9.652 -5.199 5.782 1.00 42.13 H new ATOM 0 HB3 HIS A 136 9.504 -6.895 5.368 1.00 42.13 H new ATOM 0 HD2 HIS A 136 12.320 -4.138 5.461 1.00 0.31 H new ATOM 0 HE1 HIS A 136 14.127 -7.964 5.286 1.00 42.53 H new ATOM 0 HE2 HIS A 136 14.551 -5.475 5.554 1.00 14.11 H new ATOM 1843 N TRP A 137 7.562 -6.443 2.636 1.00 2.24 N ATOM 1844 CA TRP A 137 6.167 -6.669 2.455 1.00 11.53 C ATOM 1845 C TRP A 137 5.809 -7.974 3.127 1.00 12.44 C ATOM 1846 O TRP A 137 6.342 -9.029 2.772 1.00 25.14 O ATOM 1847 CB TRP A 137 5.838 -6.797 0.962 1.00 15.13 C ATOM 1848 CG TRP A 137 6.009 -5.561 0.108 1.00 43.11 C ATOM 1849 CD1 TRP A 137 7.171 -4.918 -0.254 1.00 1.51 C ATOM 1850 CD2 TRP A 137 4.953 -4.854 -0.545 1.00 71.44 C ATOM 1851 NE1 TRP A 137 6.877 -3.856 -1.067 1.00 42.52 N ATOM 1852 CE2 TRP A 137 5.530 -3.794 -1.258 1.00 51.41 C ATOM 1853 CE3 TRP A 137 3.566 -5.015 -0.582 1.00 14.51 C ATOM 1854 CZ2 TRP A 137 4.768 -2.897 -2.005 1.00 45.42 C ATOM 1855 CZ3 TRP A 137 2.817 -4.128 -1.321 1.00 73.25 C ATOM 1856 CH2 TRP A 137 3.416 -3.082 -2.022 1.00 54.55 C ATOM 0 H TRP A 137 8.157 -6.930 1.966 1.00 2.24 H new ATOM 0 HA TRP A 137 5.609 -5.835 2.880 1.00 11.53 H new ATOM 0 HB2 TRP A 137 6.464 -7.585 0.544 1.00 15.13 H new ATOM 0 HB3 TRP A 137 4.804 -7.130 0.871 1.00 15.13 H new ATOM 0 HD1 TRP A 137 8.164 -5.207 0.056 1.00 1.51 H new ATOM 0 HE1 TRP A 137 7.560 -3.212 -1.467 1.00 42.52 H new ATOM 0 HE3 TRP A 137 3.091 -5.820 -0.041 1.00 14.51 H new ATOM 0 HZ2 TRP A 137 5.230 -2.087 -2.549 1.00 45.42 H new ATOM 0 HZ3 TRP A 137 1.744 -4.244 -1.359 1.00 73.25 H new ATOM 0 HH2 TRP A 137 2.797 -2.404 -2.590 1.00 54.55 H new ATOM 1867 N HIS A 138 4.924 -7.916 4.058 1.00 55.52 N ATOM 1868 CA HIS A 138 4.462 -9.084 4.737 1.00 52.55 C ATOM 1869 C HIS A 138 2.987 -9.220 4.465 1.00 62.34 C ATOM 1870 O HIS A 138 2.198 -8.412 4.927 1.00 4.23 O ATOM 1871 CB HIS A 138 4.754 -8.952 6.244 1.00 44.04 C ATOM 1872 CG HIS A 138 4.262 -10.081 7.090 1.00 40.30 C ATOM 1873 ND1 HIS A 138 5.009 -11.187 7.388 1.00 52.04 N ATOM 1874 CD2 HIS A 138 3.094 -10.243 7.718 1.00 62.32 C ATOM 1875 CE1 HIS A 138 4.318 -11.988 8.165 1.00 2.35 C ATOM 1876 NE2 HIS A 138 3.145 -11.436 8.384 1.00 74.20 N ATOM 0 H HIS A 138 4.493 -7.048 4.377 1.00 55.52 H new ATOM 0 HA HIS A 138 4.975 -9.978 4.383 1.00 52.55 H new ATOM 0 HB2 HIS A 138 5.831 -8.859 6.382 1.00 44.04 H new ATOM 0 HB3 HIS A 138 4.305 -8.027 6.605 1.00 44.04 H new ATOM 0 HD1 HIS A 138 5.958 -11.363 7.057 1.00 52.04 H new ATOM 0 HD2 HIS A 138 2.261 -9.556 7.702 1.00 62.32 H new ATOM 0 HE1 HIS A 138 4.655 -12.936 8.557 1.00 2.35 H new ATOM 1885 N LEU A 139 2.622 -10.223 3.725 1.00 41.32 N ATOM 1886 CA LEU A 139 1.254 -10.402 3.326 1.00 52.45 C ATOM 1887 C LEU A 139 0.671 -11.619 4.000 1.00 32.53 C ATOM 1888 O LEU A 139 1.317 -12.663 4.071 1.00 11.25 O ATOM 1889 CB LEU A 139 1.120 -10.576 1.783 1.00 21.34 C ATOM 1890 CG LEU A 139 1.663 -9.456 0.856 1.00 51.13 C ATOM 1891 CD1 LEU A 139 3.184 -9.394 0.841 1.00 15.14 C ATOM 1892 CD2 LEU A 139 1.132 -9.616 -0.546 1.00 0.34 C ATOM 0 H LEU A 139 3.260 -10.940 3.380 1.00 41.32 H new ATOM 0 HA LEU A 139 0.712 -9.505 3.626 1.00 52.45 H new ATOM 0 HB2 LEU A 139 1.623 -11.504 1.510 1.00 21.34 H new ATOM 0 HB3 LEU A 139 0.062 -10.709 1.556 1.00 21.34 H new ATOM 0 HG LEU A 139 1.307 -8.511 1.267 1.00 51.13 H new ATOM 0 HD11 LEU A 139 3.509 -8.593 0.177 1.00 15.14 H new ATOM 0 HD12 LEU A 139 3.550 -9.200 1.849 1.00 15.14 H new ATOM 0 HD13 LEU A 139 3.583 -10.344 0.486 1.00 15.14 H new ATOM 0 HD21 LEU A 139 1.526 -8.820 -1.177 1.00 0.34 H new ATOM 0 HD22 LEU A 139 1.442 -10.582 -0.944 1.00 0.34 H new ATOM 0 HD23 LEU A 139 0.043 -9.562 -0.531 1.00 0.34 H new ATOM 1904 N GLU A 140 -0.517 -11.482 4.499 1.00 20.10 N ATOM 1905 CA GLU A 140 -1.243 -12.588 5.073 1.00 24.31 C ATOM 1906 C GLU A 140 -2.697 -12.423 4.704 1.00 43.22 C ATOM 1907 O GLU A 140 -3.287 -11.351 4.893 1.00 74.32 O ATOM 1908 CB GLU A 140 -1.043 -12.701 6.591 1.00 41.44 C ATOM 1909 CG GLU A 140 -1.683 -13.951 7.192 1.00 32.33 C ATOM 1910 CD GLU A 140 -1.389 -14.108 8.656 1.00 34.43 C ATOM 1911 OE1 GLU A 140 -0.322 -14.665 9.008 1.00 15.11 O ATOM 1912 OE2 GLU A 140 -2.198 -13.679 9.479 1.00 71.14 O ATOM 0 H GLU A 140 -1.021 -10.595 4.523 1.00 20.10 H new ATOM 0 HA GLU A 140 -0.858 -13.524 4.669 1.00 24.31 H new ATOM 0 HB2 GLU A 140 0.025 -12.706 6.811 1.00 41.44 H new ATOM 0 HB3 GLU A 140 -1.463 -11.818 7.073 1.00 41.44 H new ATOM 0 HG2 GLU A 140 -2.762 -13.907 7.045 1.00 32.33 H new ATOM 0 HG3 GLU A 140 -1.324 -14.830 6.657 1.00 32.33 H new ATOM 1919 N TYR A 141 -3.258 -13.447 4.168 1.00 21.12 N ATOM 1920 CA TYR A 141 -4.575 -13.381 3.607 1.00 21.12 C ATOM 1921 C TYR A 141 -5.349 -14.655 3.765 1.00 31.34 C ATOM 1922 O TYR A 141 -4.804 -15.702 4.081 1.00 15.14 O ATOM 1923 CB TYR A 141 -4.489 -12.920 2.151 1.00 12.52 C ATOM 1924 CG TYR A 141 -3.500 -13.685 1.276 1.00 61.44 C ATOM 1925 CD1 TYR A 141 -2.143 -13.342 1.267 1.00 75.11 C ATOM 1926 CD2 TYR A 141 -3.912 -14.726 0.464 1.00 44.33 C ATOM 1927 CE1 TYR A 141 -1.237 -14.015 0.477 1.00 75.14 C ATOM 1928 CE2 TYR A 141 -3.010 -15.407 -0.329 1.00 23.01 C ATOM 1929 CZ TYR A 141 -1.677 -15.050 -0.322 1.00 3.20 C ATOM 1930 OH TYR A 141 -0.787 -15.732 -1.116 1.00 64.32 O ATOM 0 H TYR A 141 -2.819 -14.365 4.102 1.00 21.12 H new ATOM 0 HA TYR A 141 -5.145 -12.643 4.172 1.00 21.12 H new ATOM 0 HB2 TYR A 141 -5.480 -13.000 1.704 1.00 12.52 H new ATOM 0 HB3 TYR A 141 -4.218 -11.864 2.138 1.00 12.52 H new ATOM 0 HD1 TYR A 141 -1.799 -12.532 1.893 1.00 75.11 H new ATOM 0 HD2 TYR A 141 -4.954 -15.010 0.450 1.00 44.33 H new ATOM 0 HE1 TYR A 141 -0.194 -13.735 0.483 1.00 75.14 H new ATOM 0 HE2 TYR A 141 -3.348 -16.220 -0.955 1.00 23.01 H new ATOM 0 HH TYR A 141 -1.261 -16.431 -1.614 1.00 64.32 H new ATOM 1940 N GLU A 142 -6.606 -14.556 3.543 1.00 54.11 N ATOM 1941 CA GLU A 142 -7.506 -15.627 3.759 1.00 21.35 C ATOM 1942 C GLU A 142 -8.207 -15.967 2.460 1.00 30.21 C ATOM 1943 O GLU A 142 -8.911 -15.136 1.898 1.00 20.01 O ATOM 1944 CB GLU A 142 -8.496 -15.173 4.813 1.00 20.01 C ATOM 1945 CG GLU A 142 -9.511 -16.185 5.230 1.00 45.24 C ATOM 1946 CD GLU A 142 -10.404 -15.639 6.301 1.00 61.51 C ATOM 1947 OE1 GLU A 142 -11.396 -14.958 5.978 1.00 13.50 O ATOM 1948 OE2 GLU A 142 -10.135 -15.882 7.492 1.00 64.24 O ATOM 0 H GLU A 142 -7.050 -13.706 3.197 1.00 54.11 H new ATOM 0 HA GLU A 142 -6.988 -16.524 4.098 1.00 21.35 H new ATOM 0 HB2 GLU A 142 -7.939 -14.859 5.696 1.00 20.01 H new ATOM 0 HB3 GLU A 142 -9.020 -14.294 4.438 1.00 20.01 H new ATOM 0 HG2 GLU A 142 -10.109 -16.481 4.369 1.00 45.24 H new ATOM 0 HG3 GLU A 142 -9.008 -17.082 5.593 1.00 45.24 H new ATOM 1955 N LYS A 143 -7.992 -17.165 1.982 1.00 42.52 N ATOM 1956 CA LYS A 143 -8.604 -17.631 0.754 1.00 40.04 C ATOM 1957 C LYS A 143 -10.077 -17.896 0.938 1.00 22.13 C ATOM 1958 O LYS A 143 -10.518 -18.298 2.018 1.00 33.40 O ATOM 1959 CB LYS A 143 -7.987 -18.949 0.271 1.00 73.14 C ATOM 1960 CG LYS A 143 -6.629 -18.908 -0.396 1.00 14.04 C ATOM 1961 CD LYS A 143 -5.495 -18.441 0.476 1.00 70.10 C ATOM 1962 CE LYS A 143 -4.184 -18.698 -0.243 1.00 72.34 C ATOM 1963 NZ LYS A 143 -3.912 -20.153 -0.399 1.00 60.20 N ATOM 0 H LYS A 143 -7.386 -17.851 2.431 1.00 42.52 H new ATOM 0 HA LYS A 143 -8.435 -16.837 0.026 1.00 40.04 H new ATOM 0 HB2 LYS A 143 -7.914 -19.616 1.130 1.00 73.14 H new ATOM 0 HB3 LYS A 143 -8.687 -19.406 -0.429 1.00 73.14 H new ATOM 0 HG2 LYS A 143 -6.394 -19.906 -0.765 1.00 14.04 H new ATOM 0 HG3 LYS A 143 -6.690 -18.253 -1.265 1.00 14.04 H new ATOM 0 HD2 LYS A 143 -5.602 -17.379 0.697 1.00 70.10 H new ATOM 0 HD3 LYS A 143 -5.511 -18.968 1.430 1.00 70.10 H new ATOM 0 HE2 LYS A 143 -4.210 -18.226 -1.225 1.00 72.34 H new ATOM 0 HE3 LYS A 143 -3.369 -18.234 0.312 1.00 72.34 H new ATOM 0 HZ1 LYS A 143 -2.999 -20.286 -0.880 1.00 60.20 H new ATOM 0 HZ2 LYS A 143 -3.878 -20.602 0.538 1.00 60.20 H new ATOM 0 HZ3 LYS A 143 -4.668 -20.589 -0.965 1.00 60.20 H new ATOM 1977 N ILE A 144 -10.843 -17.647 -0.104 1.00 75.24 N ATOM 1978 CA ILE A 144 -12.223 -18.091 -0.133 1.00 33.02 C ATOM 1979 C ILE A 144 -12.186 -19.589 -0.459 1.00 75.42 C ATOM 1980 O ILE A 144 -12.944 -20.402 0.087 1.00 10.04 O ATOM 1981 CB ILE A 144 -13.032 -17.346 -1.227 1.00 74.53 C ATOM 1982 CG1 ILE A 144 -13.003 -15.836 -0.978 1.00 4.12 C ATOM 1983 CG2 ILE A 144 -14.471 -17.848 -1.269 1.00 13.31 C ATOM 1984 CD1 ILE A 144 -13.707 -15.029 -2.043 1.00 15.11 C ATOM 0 H ILE A 144 -10.537 -17.143 -0.937 1.00 75.24 H new ATOM 0 HA ILE A 144 -12.707 -17.888 0.823 1.00 33.02 H new ATOM 0 HB ILE A 144 -12.569 -17.549 -2.192 1.00 74.53 H new ATOM 0 HG12 ILE A 144 -13.465 -15.627 -0.013 1.00 4.12 H new ATOM 0 HG13 ILE A 144 -11.966 -15.508 -0.913 1.00 4.12 H new ATOM 0 HG21 ILE A 144 -15.021 -17.312 -2.043 1.00 13.31 H new ATOM 0 HG22 ILE A 144 -14.478 -18.915 -1.492 1.00 13.31 H new ATOM 0 HG23 ILE A 144 -14.945 -17.676 -0.303 1.00 13.31 H new ATOM 0 HD11 ILE A 144 -13.644 -13.969 -1.797 1.00 15.11 H new ATOM 0 HD12 ILE A 144 -13.232 -15.207 -3.008 1.00 15.11 H new ATOM 0 HD13 ILE A 144 -14.754 -15.328 -2.094 1.00 15.11 H new ATOM 1996 N SER A 145 -11.253 -19.917 -1.339 1.00 43.04 N ATOM 1997 CA SER A 145 -10.976 -21.241 -1.798 1.00 1.13 C ATOM 1998 C SER A 145 -9.669 -21.147 -2.597 1.00 64.01 C ATOM 1999 O SER A 145 -9.270 -20.049 -2.992 1.00 2.32 O ATOM 2000 CB SER A 145 -12.138 -21.757 -2.688 1.00 1.10 C ATOM 2001 OG SER A 145 -11.915 -23.096 -3.141 1.00 74.42 O ATOM 0 H SER A 145 -10.644 -19.219 -1.766 1.00 43.04 H new ATOM 0 HA SER A 145 -10.878 -21.943 -0.970 1.00 1.13 H new ATOM 0 HB2 SER A 145 -13.071 -21.716 -2.126 1.00 1.10 H new ATOM 0 HB3 SER A 145 -12.255 -21.098 -3.549 1.00 1.10 H new ATOM 0 HG SER A 145 -12.670 -23.383 -3.696 1.00 74.42 H new ATOM 2007 N GLU A 146 -9.018 -22.249 -2.822 1.00 65.54 N ATOM 2008 CA GLU A 146 -7.761 -22.259 -3.578 1.00 52.52 C ATOM 2009 C GLU A 146 -8.025 -22.104 -5.044 1.00 13.35 C ATOM 2010 O GLU A 146 -7.253 -21.494 -5.765 1.00 60.53 O ATOM 2011 CB GLU A 146 -7.039 -23.550 -3.386 1.00 71.11 C ATOM 2012 CG GLU A 146 -6.523 -23.793 -1.979 1.00 41.30 C ATOM 2013 CD GLU A 146 -5.526 -22.737 -1.549 1.00 74.20 C ATOM 2014 OE1 GLU A 146 -4.318 -22.878 -1.840 1.00 25.24 O ATOM 2015 OE2 GLU A 146 -5.931 -21.751 -0.938 1.00 41.12 O ATOM 0 H GLU A 146 -9.323 -23.167 -2.499 1.00 65.54 H new ATOM 0 HA GLU A 146 -7.158 -21.429 -3.210 1.00 52.52 H new ATOM 0 HB2 GLU A 146 -7.708 -24.367 -3.658 1.00 71.11 H new ATOM 0 HB3 GLU A 146 -6.197 -23.584 -4.077 1.00 71.11 H new ATOM 0 HG2 GLU A 146 -7.361 -23.805 -1.283 1.00 41.30 H new ATOM 0 HG3 GLU A 146 -6.054 -24.776 -1.930 1.00 41.30 H new ATOM 2022 N GLU A 147 -9.156 -22.640 -5.461 1.00 25.12 N ATOM 2023 CA GLU A 147 -9.586 -22.650 -6.856 1.00 2.03 C ATOM 2024 C GLU A 147 -9.740 -21.209 -7.375 1.00 4.25 C ATOM 2025 O GLU A 147 -9.692 -20.942 -8.582 1.00 35.30 O ATOM 2026 CB GLU A 147 -10.934 -23.377 -6.934 1.00 71.20 C ATOM 2027 CG GLU A 147 -11.460 -23.597 -8.335 1.00 61.32 C ATOM 2028 CD GLU A 147 -12.836 -24.195 -8.328 1.00 64.42 C ATOM 2029 OE1 GLU A 147 -12.975 -25.425 -8.098 1.00 35.43 O ATOM 2030 OE2 GLU A 147 -13.814 -23.449 -8.545 1.00 41.30 O ATOM 0 H GLU A 147 -9.819 -23.091 -4.831 1.00 25.12 H new ATOM 0 HA GLU A 147 -8.844 -23.158 -7.471 1.00 2.03 H new ATOM 0 HB2 GLU A 147 -10.837 -24.345 -6.442 1.00 71.20 H new ATOM 0 HB3 GLU A 147 -11.671 -22.805 -6.370 1.00 71.20 H new ATOM 0 HG2 GLU A 147 -11.480 -22.647 -8.869 1.00 61.32 H new ATOM 0 HG3 GLU A 147 -10.781 -24.254 -8.879 1.00 61.32 H new ATOM 2037 N VAL A 148 -9.878 -20.295 -6.457 1.00 32.34 N ATOM 2038 CA VAL A 148 -10.141 -18.905 -6.819 1.00 3.23 C ATOM 2039 C VAL A 148 -8.928 -18.003 -6.543 1.00 10.22 C ATOM 2040 O VAL A 148 -8.731 -16.991 -7.214 1.00 2.31 O ATOM 2041 CB VAL A 148 -11.422 -18.351 -6.106 1.00 34.12 C ATOM 2042 CG1 VAL A 148 -11.286 -18.365 -4.595 1.00 72.43 C ATOM 2043 CG2 VAL A 148 -11.776 -16.957 -6.608 1.00 14.10 C ATOM 0 H VAL A 148 -9.816 -20.472 -5.454 1.00 32.34 H new ATOM 0 HA VAL A 148 -10.326 -18.891 -7.893 1.00 3.23 H new ATOM 0 HB VAL A 148 -12.242 -19.022 -6.363 1.00 34.12 H new ATOM 0 HG11 VAL A 148 -12.197 -17.972 -4.144 1.00 72.43 H new ATOM 0 HG12 VAL A 148 -11.124 -19.387 -4.254 1.00 72.43 H new ATOM 0 HG13 VAL A 148 -10.439 -17.745 -4.300 1.00 72.43 H new ATOM 0 HG21 VAL A 148 -12.669 -16.601 -6.094 1.00 14.10 H new ATOM 0 HG22 VAL A 148 -10.947 -16.277 -6.409 1.00 14.10 H new ATOM 0 HG23 VAL A 148 -11.965 -16.994 -7.681 1.00 14.10 H new ATOM 2053 N ALA A 149 -8.110 -18.402 -5.596 1.00 42.30 N ATOM 2054 CA ALA A 149 -6.982 -17.603 -5.160 1.00 53.12 C ATOM 2055 C ALA A 149 -5.783 -17.780 -6.063 1.00 52.40 C ATOM 2056 O ALA A 149 -5.452 -18.892 -6.460 1.00 2.50 O ATOM 2057 CB ALA A 149 -6.610 -17.984 -3.750 1.00 23.24 C ATOM 0 H ALA A 149 -8.206 -19.290 -5.104 1.00 42.30 H new ATOM 0 HA ALA A 149 -7.280 -16.555 -5.202 1.00 53.12 H new ATOM 0 HB1 ALA A 149 -5.762 -17.383 -3.422 1.00 23.24 H new ATOM 0 HB2 ALA A 149 -7.458 -17.805 -3.089 1.00 23.24 H new ATOM 0 HB3 ALA A 149 -6.341 -19.040 -3.717 1.00 23.24 H new ATOM 2063 N HIS A 150 -5.146 -16.684 -6.402 1.00 12.44 N ATOM 2064 CA HIS A 150 -3.929 -16.727 -7.197 1.00 54.30 C ATOM 2065 C HIS A 150 -2.811 -15.957 -6.485 1.00 15.23 C ATOM 2066 O HIS A 150 -2.708 -14.739 -6.639 1.00 12.13 O ATOM 2067 CB HIS A 150 -4.140 -16.124 -8.599 1.00 71.24 C ATOM 2068 CG HIS A 150 -5.247 -16.733 -9.403 1.00 22.43 C ATOM 2069 ND1 HIS A 150 -5.062 -17.743 -10.318 1.00 0.14 N ATOM 2070 CD2 HIS A 150 -6.558 -16.433 -9.443 1.00 13.12 C ATOM 2071 CE1 HIS A 150 -6.213 -18.029 -10.886 1.00 53.21 C ATOM 2072 NE2 HIS A 150 -7.137 -17.248 -10.370 1.00 42.32 N ATOM 0 H HIS A 150 -5.447 -15.745 -6.141 1.00 12.44 H new ATOM 0 HA HIS A 150 -3.652 -17.775 -7.312 1.00 54.30 H new ATOM 0 HB2 HIS A 150 -4.337 -15.058 -8.491 1.00 71.24 H new ATOM 0 HB3 HIS A 150 -3.211 -16.221 -9.161 1.00 71.24 H new ATOM 0 HD2 HIS A 150 -7.060 -15.683 -8.849 1.00 13.12 H new ATOM 0 HE1 HIS A 150 -6.373 -18.778 -11.647 1.00 53.21 H new ATOM 0 HE2 HIS A 150 -8.125 -17.252 -10.622 1.00 42.32 H new ATOM 2081 N PRO A 151 -1.965 -16.658 -5.681 1.00 60.31 N ATOM 2082 CA PRO A 151 -0.837 -16.045 -4.898 1.00 21.12 C ATOM 2083 C PRO A 151 0.166 -15.234 -5.754 1.00 22.14 C ATOM 2084 O PRO A 151 1.028 -14.524 -5.228 1.00 44.53 O ATOM 2085 CB PRO A 151 -0.129 -17.262 -4.298 1.00 24.02 C ATOM 2086 CG PRO A 151 -1.179 -18.308 -4.224 1.00 34.34 C ATOM 2087 CD PRO A 151 -2.057 -18.109 -5.428 1.00 51.34 C ATOM 0 HA PRO A 151 -1.219 -15.325 -4.175 1.00 21.12 H new ATOM 0 HB2 PRO A 151 0.706 -17.582 -4.921 1.00 24.02 H new ATOM 0 HB3 PRO A 151 0.277 -17.038 -3.312 1.00 24.02 H new ATOM 0 HG2 PRO A 151 -0.737 -19.304 -4.226 1.00 34.34 H new ATOM 0 HG3 PRO A 151 -1.755 -18.217 -3.303 1.00 34.34 H new ATOM 0 HD2 PRO A 151 -1.706 -18.689 -6.282 1.00 51.34 H new ATOM 0 HD3 PRO A 151 -3.084 -18.419 -5.233 1.00 51.34 H new ATOM 2095 N GLU A 152 0.044 -15.354 -7.044 1.00 25.43 N ATOM 2096 CA GLU A 152 0.906 -14.678 -7.994 1.00 4.52 C ATOM 2097 C GLU A 152 0.580 -13.207 -8.046 1.00 10.51 C ATOM 2098 O GLU A 152 1.462 -12.345 -8.085 1.00 44.15 O ATOM 2099 CB GLU A 152 0.637 -15.240 -9.367 1.00 33.02 C ATOM 2100 CG GLU A 152 0.726 -16.728 -9.435 1.00 30.41 C ATOM 2101 CD GLU A 152 2.083 -17.232 -9.027 1.00 54.21 C ATOM 2102 OE1 GLU A 152 3.023 -17.192 -9.862 1.00 55.30 O ATOM 2103 OE2 GLU A 152 2.249 -17.633 -7.866 1.00 51.01 O ATOM 0 H GLU A 152 -0.670 -15.935 -7.483 1.00 25.43 H new ATOM 0 HA GLU A 152 1.943 -14.821 -7.690 1.00 4.52 H new ATOM 0 HB2 GLU A 152 -0.357 -14.929 -9.688 1.00 33.02 H new ATOM 0 HB3 GLU A 152 1.349 -14.810 -10.072 1.00 33.02 H new ATOM 0 HG2 GLU A 152 -0.033 -17.166 -8.787 1.00 30.41 H new ATOM 0 HG3 GLU A 152 0.507 -17.058 -10.451 1.00 30.41 H new ATOM 2110 N THR A 153 -0.693 -12.941 -8.022 1.00 43.41 N ATOM 2111 CA THR A 153 -1.229 -11.623 -8.225 1.00 51.21 C ATOM 2112 C THR A 153 -0.776 -10.639 -7.150 1.00 42.35 C ATOM 2113 O THR A 153 -0.591 -9.455 -7.424 1.00 43.33 O ATOM 2114 CB THR A 153 -2.761 -11.676 -8.275 1.00 20.54 C ATOM 2115 OG1 THR A 153 -3.279 -12.046 -6.989 1.00 15.34 O ATOM 2116 CG2 THR A 153 -3.201 -12.713 -9.297 1.00 42.15 C ATOM 0 H THR A 153 -1.407 -13.651 -7.857 1.00 43.41 H new ATOM 0 HA THR A 153 -0.843 -11.263 -9.179 1.00 51.21 H new ATOM 0 HB THR A 153 -3.140 -10.693 -8.554 1.00 20.54 H new ATOM 0 HG1 THR A 153 -3.099 -12.995 -6.825 1.00 15.34 H new ATOM 0 HG21 THR A 153 -4.290 -12.750 -9.332 1.00 42.15 H new ATOM 0 HG22 THR A 153 -2.815 -12.442 -10.280 1.00 42.15 H new ATOM 0 HG23 THR A 153 -2.814 -13.691 -9.013 1.00 42.15 H new ATOM 2124 N LEU A 154 -0.551 -11.141 -5.943 1.00 15.32 N ATOM 2125 CA LEU A 154 -0.163 -10.291 -4.840 1.00 65.25 C ATOM 2126 C LEU A 154 1.205 -9.708 -5.062 1.00 43.13 C ATOM 2127 O LEU A 154 1.452 -8.555 -4.731 1.00 21.52 O ATOM 2128 CB LEU A 154 -0.229 -11.009 -3.486 1.00 54.10 C ATOM 2129 CG LEU A 154 -1.578 -11.615 -3.081 1.00 4.13 C ATOM 2130 CD1 LEU A 154 -2.733 -10.674 -3.377 1.00 13.20 C ATOM 2131 CD2 LEU A 154 -1.792 -12.983 -3.678 1.00 11.22 C ATOM 0 H LEU A 154 -0.632 -12.131 -5.709 1.00 15.32 H new ATOM 0 HA LEU A 154 -0.890 -9.479 -4.806 1.00 65.25 H new ATOM 0 HB2 LEU A 154 0.513 -11.808 -3.490 1.00 54.10 H new ATOM 0 HB3 LEU A 154 0.069 -10.301 -2.713 1.00 54.10 H new ATOM 0 HG LEU A 154 -1.549 -11.751 -2.000 1.00 4.13 H new ATOM 0 HD11 LEU A 154 -3.670 -11.142 -3.075 1.00 13.20 H new ATOM 0 HD12 LEU A 154 -2.596 -9.745 -2.824 1.00 13.20 H new ATOM 0 HD13 LEU A 154 -2.763 -10.459 -4.445 1.00 13.20 H new ATOM 0 HD21 LEU A 154 -2.761 -13.370 -3.362 1.00 11.22 H new ATOM 0 HD22 LEU A 154 -1.766 -12.914 -4.765 1.00 11.22 H new ATOM 0 HD23 LEU A 154 -1.004 -13.655 -3.338 1.00 11.22 H new ATOM 2143 N LEU A 155 2.089 -10.489 -5.654 1.00 71.54 N ATOM 2144 CA LEU A 155 3.422 -10.017 -5.959 1.00 41.00 C ATOM 2145 C LEU A 155 3.375 -8.969 -7.031 1.00 34.23 C ATOM 2146 O LEU A 155 4.110 -7.995 -6.987 1.00 60.44 O ATOM 2147 CB LEU A 155 4.338 -11.158 -6.355 1.00 54.43 C ATOM 2148 CG LEU A 155 4.642 -12.156 -5.253 1.00 54.35 C ATOM 2149 CD1 LEU A 155 5.533 -13.246 -5.773 1.00 12.43 C ATOM 2150 CD2 LEU A 155 5.305 -11.455 -4.080 1.00 43.13 C ATOM 0 H LEU A 155 1.906 -11.453 -5.932 1.00 71.54 H new ATOM 0 HA LEU A 155 3.834 -9.568 -5.055 1.00 41.00 H new ATOM 0 HB2 LEU A 155 3.887 -11.691 -7.192 1.00 54.43 H new ATOM 0 HB3 LEU A 155 5.278 -10.740 -6.714 1.00 54.43 H new ATOM 0 HG LEU A 155 3.706 -12.599 -4.914 1.00 54.35 H new ATOM 0 HD11 LEU A 155 5.744 -13.956 -4.973 1.00 12.43 H new ATOM 0 HD12 LEU A 155 5.035 -13.762 -6.594 1.00 12.43 H new ATOM 0 HD13 LEU A 155 6.467 -12.813 -6.130 1.00 12.43 H new ATOM 0 HD21 LEU A 155 5.518 -12.181 -3.296 1.00 43.13 H new ATOM 0 HD22 LEU A 155 6.236 -10.994 -4.411 1.00 43.13 H new ATOM 0 HD23 LEU A 155 4.637 -10.686 -3.691 1.00 43.13 H new ATOM 2162 N GLN A 156 2.481 -9.147 -7.974 1.00 43.32 N ATOM 2163 CA GLN A 156 2.316 -8.187 -9.032 1.00 22.13 C ATOM 2164 C GLN A 156 1.725 -6.892 -8.487 1.00 45.32 C ATOM 2165 O GLN A 156 2.090 -5.797 -8.930 1.00 4.34 O ATOM 2166 CB GLN A 156 1.495 -8.761 -10.173 1.00 65.11 C ATOM 2167 CG GLN A 156 2.153 -9.976 -10.800 1.00 31.24 C ATOM 2168 CD GLN A 156 1.482 -10.414 -12.065 1.00 71.42 C ATOM 2169 OE1 GLN A 156 0.561 -11.244 -12.063 1.00 64.42 O ATOM 2170 NE2 GLN A 156 1.934 -9.861 -13.151 1.00 4.43 N ATOM 0 H GLN A 156 1.856 -9.951 -8.028 1.00 43.32 H new ATOM 0 HA GLN A 156 3.297 -7.951 -9.444 1.00 22.13 H new ATOM 0 HB2 GLN A 156 0.506 -9.035 -9.805 1.00 65.11 H new ATOM 0 HB3 GLN A 156 1.350 -7.995 -10.935 1.00 65.11 H new ATOM 0 HG2 GLN A 156 3.199 -9.749 -11.009 1.00 31.24 H new ATOM 0 HG3 GLN A 156 2.142 -10.799 -10.085 1.00 31.24 H new ATOM 0 HE21 GLN A 156 2.694 -9.183 -13.100 1.00 4.43 H new ATOM 0 HE22 GLN A 156 1.528 -10.105 -14.055 1.00 4.43 H new ATOM 2179 N PHE A 157 0.839 -7.028 -7.494 1.00 40.24 N ATOM 2180 CA PHE A 157 0.279 -5.884 -6.784 1.00 14.43 C ATOM 2181 C PHE A 157 1.407 -5.148 -6.068 1.00 63.41 C ATOM 2182 O PHE A 157 1.453 -3.925 -6.048 1.00 60.30 O ATOM 2183 CB PHE A 157 -0.809 -6.346 -5.779 1.00 31.45 C ATOM 2184 CG PHE A 157 -1.503 -5.231 -5.010 1.00 24.34 C ATOM 2185 CD1 PHE A 157 -2.380 -4.368 -5.657 1.00 12.20 C ATOM 2186 CD2 PHE A 157 -1.297 -5.062 -3.635 1.00 35.32 C ATOM 2187 CE1 PHE A 157 -3.032 -3.363 -4.963 1.00 3.52 C ATOM 2188 CE2 PHE A 157 -1.955 -4.047 -2.936 1.00 32.53 C ATOM 2189 CZ PHE A 157 -2.820 -3.203 -3.603 1.00 44.24 C ATOM 0 H PHE A 157 0.495 -7.930 -7.165 1.00 40.24 H new ATOM 0 HA PHE A 157 -0.197 -5.208 -7.494 1.00 14.43 H new ATOM 0 HB2 PHE A 157 -1.564 -6.914 -6.323 1.00 31.45 H new ATOM 0 HB3 PHE A 157 -0.352 -7.028 -5.063 1.00 31.45 H new ATOM 0 HD1 PHE A 157 -2.555 -4.483 -6.716 1.00 12.20 H new ATOM 0 HD2 PHE A 157 -0.623 -5.723 -3.110 1.00 35.32 H new ATOM 0 HE1 PHE A 157 -3.708 -2.701 -5.484 1.00 3.52 H new ATOM 0 HE2 PHE A 157 -1.787 -3.923 -1.876 1.00 32.53 H new ATOM 0 HZ PHE A 157 -3.331 -2.418 -3.065 1.00 44.24 H new ATOM 2199 N CYS A 158 2.336 -5.916 -5.507 1.00 52.14 N ATOM 2200 CA CYS A 158 3.494 -5.346 -4.847 1.00 11.34 C ATOM 2201 C CYS A 158 4.324 -4.540 -5.843 1.00 10.42 C ATOM 2202 O CYS A 158 4.687 -3.405 -5.569 1.00 2.13 O ATOM 2203 CB CYS A 158 4.359 -6.436 -4.195 1.00 34.13 C ATOM 2204 SG CYS A 158 3.501 -7.459 -2.975 1.00 75.24 S ATOM 0 H CYS A 158 2.305 -6.935 -5.499 1.00 52.14 H new ATOM 0 HA CYS A 158 3.139 -4.683 -4.058 1.00 11.34 H new ATOM 0 HB2 CYS A 158 4.753 -7.084 -4.978 1.00 34.13 H new ATOM 0 HB3 CYS A 158 5.214 -5.961 -3.713 1.00 34.13 H new ATOM 0 HG CYS A 158 2.390 -7.902 -3.484 1.00 75.24 H new ATOM 2210 N VAL A 159 4.586 -5.128 -7.006 1.00 50.12 N ATOM 2211 CA VAL A 159 5.383 -4.488 -8.056 1.00 52.23 C ATOM 2212 C VAL A 159 4.785 -3.137 -8.476 1.00 71.23 C ATOM 2213 O VAL A 159 5.483 -2.108 -8.486 1.00 73.13 O ATOM 2214 CB VAL A 159 5.492 -5.381 -9.329 1.00 53.52 C ATOM 2215 CG1 VAL A 159 6.311 -4.688 -10.406 1.00 43.13 C ATOM 2216 CG2 VAL A 159 6.094 -6.733 -9.006 1.00 54.24 C ATOM 0 H VAL A 159 4.254 -6.061 -7.251 1.00 50.12 H new ATOM 0 HA VAL A 159 6.374 -4.339 -7.627 1.00 52.23 H new ATOM 0 HB VAL A 159 4.481 -5.540 -9.704 1.00 53.52 H new ATOM 0 HG11 VAL A 159 6.374 -5.330 -11.285 1.00 43.13 H new ATOM 0 HG12 VAL A 159 5.833 -3.747 -10.677 1.00 43.13 H new ATOM 0 HG13 VAL A 159 7.314 -4.490 -10.029 1.00 43.13 H new ATOM 0 HG21 VAL A 159 6.156 -7.330 -9.916 1.00 54.24 H new ATOM 0 HG22 VAL A 159 7.093 -6.597 -8.593 1.00 54.24 H new ATOM 0 HG23 VAL A 159 5.467 -7.246 -8.277 1.00 54.24 H new ATOM 2226 N GLU A 160 3.496 -3.138 -8.783 1.00 2.35 N ATOM 2227 CA GLU A 160 2.848 -1.948 -9.319 1.00 1.12 C ATOM 2228 C GLU A 160 2.755 -0.841 -8.275 1.00 50.32 C ATOM 2229 O GLU A 160 2.831 0.351 -8.608 1.00 23.51 O ATOM 2230 CB GLU A 160 1.480 -2.282 -9.926 1.00 34.33 C ATOM 2231 CG GLU A 160 0.446 -2.793 -8.949 1.00 32.11 C ATOM 2232 CD GLU A 160 -0.814 -3.229 -9.640 1.00 34.33 C ATOM 2233 OE1 GLU A 160 -1.520 -2.372 -10.222 1.00 22.00 O ATOM 2234 OE2 GLU A 160 -1.101 -4.445 -9.649 1.00 0.43 O ATOM 0 H GLU A 160 2.881 -3.944 -8.671 1.00 2.35 H new ATOM 0 HA GLU A 160 3.473 -1.569 -10.127 1.00 1.12 H new ATOM 0 HB2 GLU A 160 1.088 -1.388 -10.410 1.00 34.33 H new ATOM 0 HB3 GLU A 160 1.620 -3.031 -10.706 1.00 34.33 H new ATOM 0 HG2 GLU A 160 0.860 -3.631 -8.388 1.00 32.11 H new ATOM 0 HG3 GLU A 160 0.211 -2.011 -8.227 1.00 32.11 H new ATOM 2241 N VAL A 161 2.614 -1.229 -7.023 1.00 62.43 N ATOM 2242 CA VAL A 161 2.582 -0.277 -5.943 1.00 62.53 C ATOM 2243 C VAL A 161 3.994 0.221 -5.620 1.00 45.12 C ATOM 2244 O VAL A 161 4.178 1.397 -5.348 1.00 33.31 O ATOM 2245 CB VAL A 161 1.885 -0.851 -4.670 1.00 64.33 C ATOM 2246 CG1 VAL A 161 1.944 0.136 -3.505 1.00 11.22 C ATOM 2247 CG2 VAL A 161 0.433 -1.190 -4.974 1.00 3.23 C ATOM 0 H VAL A 161 2.520 -2.202 -6.733 1.00 62.43 H new ATOM 0 HA VAL A 161 1.983 0.570 -6.276 1.00 62.53 H new ATOM 0 HB VAL A 161 2.421 -1.755 -4.381 1.00 64.33 H new ATOM 0 HG11 VAL A 161 1.449 -0.297 -2.636 1.00 11.22 H new ATOM 0 HG12 VAL A 161 2.985 0.349 -3.261 1.00 11.22 H new ATOM 0 HG13 VAL A 161 1.440 1.061 -3.786 1.00 11.22 H new ATOM 0 HG21 VAL A 161 -0.043 -1.590 -4.078 1.00 3.23 H new ATOM 0 HG22 VAL A 161 -0.092 -0.289 -5.293 1.00 3.23 H new ATOM 0 HG23 VAL A 161 0.392 -1.934 -5.769 1.00 3.23 H new ATOM 2257 N SER A 162 4.995 -0.669 -5.706 1.00 0.43 N ATOM 2258 CA SER A 162 6.377 -0.305 -5.392 1.00 53.54 C ATOM 2259 C SER A 162 6.878 0.824 -6.275 1.00 3.02 C ATOM 2260 O SER A 162 7.366 1.827 -5.776 1.00 50.43 O ATOM 2261 CB SER A 162 7.294 -1.512 -5.502 1.00 70.54 C ATOM 2262 OG SER A 162 6.932 -2.497 -4.553 1.00 52.02 O ATOM 0 H SER A 162 4.870 -1.641 -5.990 1.00 0.43 H new ATOM 0 HA SER A 162 6.390 0.050 -4.362 1.00 53.54 H new ATOM 0 HB2 SER A 162 7.237 -1.929 -6.507 1.00 70.54 H new ATOM 0 HB3 SER A 162 8.328 -1.207 -5.342 1.00 70.54 H new ATOM 0 HG SER A 162 6.090 -2.918 -4.824 1.00 52.02 H new ATOM 2268 N LYS A 163 6.713 0.674 -7.576 1.00 31.34 N ATOM 2269 CA LYS A 163 7.149 1.691 -8.521 1.00 74.44 C ATOM 2270 C LYS A 163 6.354 2.986 -8.329 1.00 10.41 C ATOM 2271 O LYS A 163 6.879 4.068 -8.500 1.00 53.22 O ATOM 2272 CB LYS A 163 7.038 1.188 -9.976 1.00 44.03 C ATOM 2273 CG LYS A 163 5.627 0.807 -10.411 1.00 34.25 C ATOM 2274 CD LYS A 163 5.570 0.357 -11.865 1.00 2.25 C ATOM 2275 CE LYS A 163 6.387 -0.909 -12.117 1.00 62.04 C ATOM 2276 NZ LYS A 163 6.278 -1.365 -13.523 1.00 14.10 N ATOM 0 H LYS A 163 6.279 -0.143 -8.005 1.00 31.34 H new ATOM 0 HA LYS A 163 8.200 1.903 -8.323 1.00 74.44 H new ATOM 0 HB2 LYS A 163 7.413 1.963 -10.644 1.00 44.03 H new ATOM 0 HB3 LYS A 163 7.688 0.321 -10.097 1.00 44.03 H new ATOM 0 HG2 LYS A 163 5.256 0.007 -9.771 1.00 34.25 H new ATOM 0 HG3 LYS A 163 4.964 1.660 -10.271 1.00 34.25 H new ATOM 0 HD2 LYS A 163 4.532 0.178 -12.146 1.00 2.25 H new ATOM 0 HD3 LYS A 163 5.940 1.158 -12.505 1.00 2.25 H new ATOM 0 HE2 LYS A 163 7.433 -0.720 -11.876 1.00 62.04 H new ATOM 0 HE3 LYS A 163 6.045 -1.701 -11.451 1.00 62.04 H new ATOM 0 HZ1 LYS A 163 6.846 -2.226 -13.654 1.00 14.10 H new ATOM 0 HZ2 LYS A 163 5.283 -1.570 -13.745 1.00 14.10 H new ATOM 0 HZ3 LYS A 163 6.628 -0.619 -14.158 1.00 14.10 H new ATOM 2290 N GLU A 164 5.096 2.844 -7.940 1.00 30.53 N ATOM 2291 CA GLU A 164 4.205 3.970 -7.744 1.00 63.21 C ATOM 2292 C GLU A 164 4.651 4.787 -6.537 1.00 42.20 C ATOM 2293 O GLU A 164 4.831 6.010 -6.616 1.00 52.22 O ATOM 2294 CB GLU A 164 2.785 3.446 -7.502 1.00 12.12 C ATOM 2295 CG GLU A 164 1.708 4.514 -7.426 1.00 21.41 C ATOM 2296 CD GLU A 164 1.604 5.308 -8.699 1.00 52.20 C ATOM 2297 OE1 GLU A 164 1.094 4.772 -9.705 1.00 30.15 O ATOM 2298 OE2 GLU A 164 2.051 6.465 -8.725 1.00 55.42 O ATOM 0 H GLU A 164 4.666 1.939 -7.751 1.00 30.53 H new ATOM 0 HA GLU A 164 4.226 4.604 -8.630 1.00 63.21 H new ATOM 0 HB2 GLU A 164 2.530 2.751 -8.302 1.00 12.12 H new ATOM 0 HB3 GLU A 164 2.778 2.878 -6.572 1.00 12.12 H new ATOM 0 HG2 GLU A 164 0.748 4.044 -7.213 1.00 21.41 H new ATOM 0 HG3 GLU A 164 1.924 5.187 -6.597 1.00 21.41 H new ATOM 2305 N ILE A 165 4.853 4.103 -5.428 1.00 35.33 N ATOM 2306 CA ILE A 165 5.184 4.753 -4.196 1.00 41.31 C ATOM 2307 C ILE A 165 6.609 5.307 -4.218 1.00 10.33 C ATOM 2308 O ILE A 165 6.842 6.431 -3.815 1.00 54.04 O ATOM 2309 CB ILE A 165 4.933 3.825 -2.949 1.00 2.42 C ATOM 2310 CG1 ILE A 165 5.129 4.587 -1.648 1.00 44.25 C ATOM 2311 CG2 ILE A 165 5.816 2.579 -2.964 1.00 54.05 C ATOM 2312 CD1 ILE A 165 4.245 5.797 -1.536 1.00 64.41 C ATOM 0 H ILE A 165 4.790 3.087 -5.366 1.00 35.33 H new ATOM 0 HA ILE A 165 4.509 5.602 -4.093 1.00 41.31 H new ATOM 0 HB ILE A 165 3.896 3.496 -3.014 1.00 2.42 H new ATOM 0 HG12 ILE A 165 4.930 3.920 -0.809 1.00 44.25 H new ATOM 0 HG13 ILE A 165 6.171 4.897 -1.568 1.00 44.25 H new ATOM 0 HG21 ILE A 165 5.605 1.973 -2.083 1.00 54.05 H new ATOM 0 HG22 ILE A 165 5.610 1.998 -3.863 1.00 54.05 H new ATOM 0 HG23 ILE A 165 6.865 2.876 -2.957 1.00 54.05 H new ATOM 0 HD11 ILE A 165 4.432 6.298 -0.586 1.00 64.41 H new ATOM 0 HD12 ILE A 165 4.461 6.482 -2.356 1.00 64.41 H new ATOM 0 HD13 ILE A 165 3.200 5.490 -1.585 1.00 64.41 H new ATOM 2324 N ASP A 166 7.519 4.531 -4.738 1.00 72.44 N ATOM 2325 CA ASP A 166 8.949 4.902 -4.822 1.00 24.24 C ATOM 2326 C ASP A 166 9.150 6.228 -5.584 1.00 71.41 C ATOM 2327 O ASP A 166 9.860 7.132 -5.110 1.00 32.42 O ATOM 2328 CB ASP A 166 9.734 3.754 -5.451 1.00 22.44 C ATOM 2329 CG ASP A 166 11.199 4.020 -5.622 1.00 40.33 C ATOM 2330 OD1 ASP A 166 11.903 4.236 -4.627 1.00 22.20 O ATOM 2331 OD2 ASP A 166 11.674 3.925 -6.757 1.00 43.21 O ATOM 0 H ASP A 166 7.312 3.610 -5.125 1.00 72.44 H new ATOM 0 HA ASP A 166 9.330 5.072 -3.815 1.00 24.24 H new ATOM 0 HB2 ASP A 166 9.609 2.865 -4.833 1.00 22.44 H new ATOM 0 HB3 ASP A 166 9.303 3.528 -6.426 1.00 22.44 H new ATOM 2336 N GLU A 167 8.479 6.357 -6.733 1.00 15.12 N ATOM 2337 CA GLU A 167 8.476 7.612 -7.518 1.00 13.35 C ATOM 2338 C GLU A 167 7.887 8.742 -6.706 1.00 24.34 C ATOM 2339 O GLU A 167 8.258 9.873 -6.878 1.00 34.04 O ATOM 2340 CB GLU A 167 7.674 7.452 -8.814 1.00 1.31 C ATOM 2341 CG GLU A 167 8.228 6.445 -9.809 1.00 21.12 C ATOM 2342 CD GLU A 167 9.551 6.845 -10.419 1.00 1.22 C ATOM 2343 OE1 GLU A 167 9.535 7.520 -11.471 1.00 73.13 O ATOM 2344 OE2 GLU A 167 10.611 6.457 -9.895 1.00 42.33 O ATOM 0 H GLU A 167 7.926 5.607 -7.148 1.00 15.12 H new ATOM 0 HA GLU A 167 9.511 7.844 -7.770 1.00 13.35 H new ATOM 0 HB2 GLU A 167 6.656 7.159 -8.557 1.00 1.31 H new ATOM 0 HB3 GLU A 167 7.612 8.424 -9.304 1.00 1.31 H new ATOM 0 HG2 GLU A 167 8.346 5.484 -9.309 1.00 21.12 H new ATOM 0 HG3 GLU A 167 7.500 6.301 -10.608 1.00 21.12 H new ATOM 2351 N HIS A 168 6.973 8.423 -5.826 1.00 42.34 N ATOM 2352 CA HIS A 168 6.323 9.433 -5.017 1.00 42.21 C ATOM 2353 C HIS A 168 7.262 9.993 -3.929 1.00 71.12 C ATOM 2354 O HIS A 168 7.155 11.156 -3.576 1.00 14.33 O ATOM 2355 CB HIS A 168 5.003 8.908 -4.417 1.00 72.32 C ATOM 2356 CG HIS A 168 4.232 9.931 -3.633 1.00 25.33 C ATOM 2357 ND1 HIS A 168 3.352 10.810 -4.211 1.00 42.23 N ATOM 2358 CD2 HIS A 168 4.214 10.209 -2.313 1.00 35.41 C ATOM 2359 CE1 HIS A 168 2.831 11.579 -3.291 1.00 31.34 C ATOM 2360 NE2 HIS A 168 3.335 11.238 -2.131 1.00 65.32 N ATOM 0 H HIS A 168 6.658 7.469 -5.648 1.00 42.34 H new ATOM 0 HA HIS A 168 6.075 10.264 -5.677 1.00 42.21 H new ATOM 0 HB2 HIS A 168 4.373 8.535 -5.225 1.00 72.32 H new ATOM 0 HB3 HIS A 168 5.224 8.060 -3.768 1.00 72.32 H new ATOM 0 HD2 HIS A 168 4.787 9.711 -1.545 1.00 35.41 H new ATOM 0 HE1 HIS A 168 2.107 12.363 -3.459 1.00 31.34 H new ATOM 0 HE2 HIS A 168 3.108 11.671 -1.236 1.00 65.32 H new ATOM 2369 N LEU A 169 8.172 9.170 -3.396 1.00 33.13 N ATOM 2370 CA LEU A 169 9.099 9.662 -2.366 1.00 34.14 C ATOM 2371 C LEU A 169 10.159 10.550 -2.961 1.00 50.45 C ATOM 2372 O LEU A 169 10.474 11.601 -2.413 1.00 4.31 O ATOM 2373 CB LEU A 169 9.772 8.538 -1.548 1.00 21.13 C ATOM 2374 CG LEU A 169 8.941 7.811 -0.475 1.00 20.22 C ATOM 2375 CD1 LEU A 169 7.765 7.085 -1.057 1.00 53.13 C ATOM 2376 CD2 LEU A 169 9.812 6.850 0.297 1.00 3.23 C ATOM 0 H LEU A 169 8.287 8.189 -3.650 1.00 33.13 H new ATOM 0 HA LEU A 169 8.479 10.237 -1.678 1.00 34.14 H new ATOM 0 HB2 LEU A 169 10.134 7.788 -2.251 1.00 21.13 H new ATOM 0 HB3 LEU A 169 10.647 8.964 -1.057 1.00 21.13 H new ATOM 0 HG LEU A 169 8.550 8.573 0.199 1.00 20.22 H new ATOM 0 HD11 LEU A 169 7.212 6.589 -0.259 1.00 53.13 H new ATOM 0 HD12 LEU A 169 7.112 7.796 -1.563 1.00 53.13 H new ATOM 0 HD13 LEU A 169 8.115 6.341 -1.773 1.00 53.13 H new ATOM 0 HD21 LEU A 169 9.213 6.342 1.053 1.00 3.23 H new ATOM 0 HD22 LEU A 169 10.235 6.113 -0.386 1.00 3.23 H new ATOM 0 HD23 LEU A 169 10.618 7.400 0.783 1.00 3.23 H new ATOM 2388 N LEU A 170 10.711 10.131 -4.075 1.00 70.40 N ATOM 2389 CA LEU A 170 11.762 10.899 -4.729 1.00 52.02 C ATOM 2390 C LEU A 170 11.179 12.017 -5.533 1.00 43.12 C ATOM 2391 O LEU A 170 11.710 13.130 -5.553 1.00 21.20 O ATOM 2392 CB LEU A 170 12.570 10.011 -5.645 1.00 3.35 C ATOM 2393 CG LEU A 170 13.270 8.850 -4.983 1.00 44.40 C ATOM 2394 CD1 LEU A 170 13.996 8.046 -6.019 1.00 61.15 C ATOM 2395 CD2 LEU A 170 14.233 9.341 -3.919 1.00 61.02 C ATOM 0 H LEU A 170 10.456 9.266 -4.552 1.00 70.40 H new ATOM 0 HA LEU A 170 12.406 11.310 -3.952 1.00 52.02 H new ATOM 0 HB2 LEU A 170 11.908 9.619 -6.417 1.00 3.35 H new ATOM 0 HB3 LEU A 170 13.318 10.624 -6.147 1.00 3.35 H new ATOM 0 HG LEU A 170 12.527 8.218 -4.497 1.00 44.40 H new ATOM 0 HD11 LEU A 170 14.502 7.207 -5.540 1.00 61.15 H new ATOM 0 HD12 LEU A 170 13.283 7.669 -6.753 1.00 61.15 H new ATOM 0 HD13 LEU A 170 14.732 8.676 -6.519 1.00 61.15 H new ATOM 0 HD21 LEU A 170 14.727 8.488 -3.454 1.00 61.02 H new ATOM 0 HD22 LEU A 170 14.981 9.989 -4.376 1.00 61.02 H new ATOM 0 HD23 LEU A 170 13.684 9.900 -3.161 1.00 61.02 H new