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 125 THR OG1 : rot 126:sc= 0.00106 USER MOD Set 1.2: A 136 HIS :FLIP no HD1:sc= -0.222 F(o=-0.77,f=-0.22) USER MOD Set 2.1: A 103 THR OG1 : rot 180:sc= -0.341 USER MOD Set 2.2: A 121 THR OG1 : rot 180:sc= -0.926 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0264 USER MOD Single : A 33 LYS NZ :NH3+ 160:sc= 0.974 (180deg=0.41) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -156:sc= 1.24 (180deg=1.13) USER MOD Single : A 40 HIS : no HD1:sc= -1.25! C(o=-1.3!,f=-4.4!) USER MOD Single : A 41 HIS : no HD1:sc= -0.451 X(o=-0.45,f=-0.029) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN :FLIP amide:sc=-0.00997 F(o=-2!,f=-0.01) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HE2:sc= 0.364 K(o=0.36,f=-5.4!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -167:sc= 1.09 (180deg=0.778) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -0.0234 K(o=-0.023,f=-2.8!) USER MOD Single : A 112 MET CE :methyl 139:sc= -4.8 (180deg=-13.1!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot 167:sc= -0.282 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 180:sc=-0.00825 USER MOD Single : A 123 GLN : amide:sc= -0.512 X(o=-0.51,f=-0.84) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 78:sc= -1.41 USER MOD Single : A 138 HIS : +bothHN:sc= 1.81 K(o=1.8,f=-8.2!) USER MOD Single : A 141 TYR OH : rot 150:sc= 0 USER MOD Single : A 143 LYS NZ :NH3+ -164:sc= 1.17 (180deg=0.615) USER MOD Single : A 145 SER OG : rot 180:sc= 0 USER MOD Single : A 150 HIS : no HE2:sc= 1.08 K(o=1.1,f=-5.3!) USER MOD Single : A 153 THR OG1 : rot -61:sc= 0.452 USER MOD Single : A 156 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 158 CYS SG : rot 48:sc= 1.24 USER MOD Single : A 162 SER OG : rot 66:sc= 0.709 USER MOD Single : A 163 LYS NZ :NH3+ -166:sc= -0.0325 (180deg=-0.213) USER MOD Single : A 168 HIS : no HD1:sc= 0 X(o=0,f=-0.002) USER MOD ----------------------------------------------------------------- ATOM 62 N LEU A 22 -4.444 -23.449 4.868 1.00 34.41 N ATOM 63 CA LEU A 22 -5.227 -22.529 3.997 1.00 42.23 C ATOM 64 C LEU A 22 -5.041 -21.029 4.221 1.00 34.50 C ATOM 65 O LEU A 22 -5.438 -20.220 3.368 1.00 1.13 O ATOM 66 CB LEU A 22 -6.673 -22.932 3.864 1.00 11.10 C ATOM 67 CG LEU A 22 -6.898 -24.218 3.080 1.00 20.20 C ATOM 68 CD1 LEU A 22 -8.323 -24.642 3.191 1.00 43.14 C ATOM 69 CD2 LEU A 22 -6.519 -24.026 1.600 1.00 52.22 C ATOM 0 HA LEU A 22 -4.755 -22.675 3.025 1.00 42.23 H new ATOM 0 HB2 LEU A 22 -7.098 -23.049 4.861 1.00 11.10 H new ATOM 0 HB3 LEU A 22 -7.220 -22.124 3.378 1.00 11.10 H new ATOM 0 HG LEU A 22 -6.260 -24.995 3.502 1.00 20.20 H new ATOM 0 HD11 LEU A 22 -8.474 -25.562 2.627 1.00 43.14 H new ATOM 0 HD12 LEU A 22 -8.571 -24.813 4.238 1.00 43.14 H new ATOM 0 HD13 LEU A 22 -8.968 -23.860 2.789 1.00 43.14 H new ATOM 0 HD21 LEU A 22 -6.687 -24.956 1.058 1.00 52.22 H new ATOM 0 HD22 LEU A 22 -7.134 -23.237 1.166 1.00 52.22 H new ATOM 0 HD23 LEU A 22 -5.468 -23.748 1.527 1.00 52.22 H new ATOM 81 N VAL A 23 -4.474 -20.647 5.330 1.00 32.51 N ATOM 82 CA VAL A 23 -4.122 -19.291 5.514 1.00 54.13 C ATOM 83 C VAL A 23 -2.873 -19.035 4.694 1.00 53.31 C ATOM 84 O VAL A 23 -1.824 -19.669 4.874 1.00 34.22 O ATOM 85 CB VAL A 23 -3.941 -18.890 7.013 1.00 54.33 C ATOM 86 CG1 VAL A 23 -2.842 -19.677 7.680 1.00 24.45 C ATOM 87 CG2 VAL A 23 -3.700 -17.390 7.157 1.00 75.42 C ATOM 0 H VAL A 23 -4.251 -21.263 6.112 1.00 32.51 H new ATOM 0 HA VAL A 23 -4.941 -18.658 5.172 1.00 54.13 H new ATOM 0 HB VAL A 23 -4.872 -19.136 7.523 1.00 54.33 H new ATOM 0 HG11 VAL A 23 -2.751 -19.365 8.721 1.00 24.45 H new ATOM 0 HG12 VAL A 23 -3.079 -20.740 7.639 1.00 24.45 H new ATOM 0 HG13 VAL A 23 -1.899 -19.495 7.164 1.00 24.45 H new ATOM 0 HG21 VAL A 23 -3.578 -17.141 8.211 1.00 75.42 H new ATOM 0 HG22 VAL A 23 -2.798 -17.112 6.611 1.00 75.42 H new ATOM 0 HG23 VAL A 23 -4.552 -16.844 6.751 1.00 75.42 H new ATOM 97 N GLY A 24 -3.009 -18.175 3.787 1.00 21.15 N ATOM 98 CA GLY A 24 -1.979 -17.883 2.897 1.00 13.00 C ATOM 99 C GLY A 24 -1.285 -16.655 3.299 1.00 13.44 C ATOM 100 O GLY A 24 -1.900 -15.678 3.665 1.00 64.32 O ATOM 0 H GLY A 24 -3.862 -17.637 3.635 1.00 21.15 H new ATOM 0 HA2 GLY A 24 -1.273 -18.713 2.864 1.00 13.00 H new ATOM 0 HA3 GLY A 24 -2.382 -17.767 1.891 1.00 13.00 H new ATOM 104 N LYS A 25 -0.047 -16.697 3.252 1.00 21.24 N ATOM 105 CA LYS A 25 0.748 -15.587 3.586 1.00 45.03 C ATOM 106 C LYS A 25 1.877 -15.527 2.650 1.00 4.54 C ATOM 107 O LYS A 25 2.394 -16.556 2.227 1.00 11.25 O ATOM 108 CB LYS A 25 1.246 -15.669 5.022 1.00 34.04 C ATOM 109 CG LYS A 25 1.796 -17.029 5.374 1.00 35.55 C ATOM 110 CD LYS A 25 2.586 -17.021 6.671 1.00 25.44 C ATOM 111 CE LYS A 25 3.856 -16.172 6.538 1.00 61.11 C ATOM 112 NZ LYS A 25 4.646 -16.156 7.790 1.00 13.31 N ATOM 0 H LYS A 25 0.482 -17.523 2.973 1.00 21.24 H new ATOM 0 HA LYS A 25 0.148 -14.680 3.509 1.00 45.03 H new ATOM 0 HB2 LYS A 25 2.021 -14.918 5.176 1.00 34.04 H new ATOM 0 HB3 LYS A 25 0.428 -15.427 5.700 1.00 34.04 H new ATOM 0 HG2 LYS A 25 0.973 -17.739 5.458 1.00 35.55 H new ATOM 0 HG3 LYS A 25 2.437 -17.378 4.565 1.00 35.55 H new ATOM 0 HD2 LYS A 25 1.965 -16.629 7.476 1.00 25.44 H new ATOM 0 HD3 LYS A 25 2.854 -18.042 6.944 1.00 25.44 H new ATOM 0 HE2 LYS A 25 4.470 -16.563 5.727 1.00 61.11 H new ATOM 0 HE3 LYS A 25 3.583 -15.152 6.268 1.00 61.11 H new ATOM 0 HZ1 LYS A 25 5.496 -15.571 7.657 1.00 13.31 H new ATOM 0 HZ2 LYS A 25 4.069 -15.759 8.559 1.00 13.31 H new ATOM 0 HZ3 LYS A 25 4.929 -17.127 8.035 1.00 13.31 H new ATOM 126 N LEU A 26 2.240 -14.365 2.289 1.00 71.05 N ATOM 127 CA LEU A 26 3.319 -14.202 1.400 1.00 3.11 C ATOM 128 C LEU A 26 4.068 -12.979 1.838 1.00 11.32 C ATOM 129 O LEU A 26 3.463 -11.987 2.239 1.00 62.44 O ATOM 130 CB LEU A 26 2.783 -14.094 -0.051 1.00 25.12 C ATOM 131 CG LEU A 26 3.786 -14.226 -1.220 1.00 72.11 C ATOM 132 CD1 LEU A 26 3.035 -14.302 -2.522 1.00 63.43 C ATOM 133 CD2 LEU A 26 4.774 -13.072 -1.282 1.00 2.11 C ATOM 0 H LEU A 26 1.801 -13.498 2.599 1.00 71.05 H new ATOM 0 HA LEU A 26 3.998 -15.055 1.413 1.00 3.11 H new ATOM 0 HB2 LEU A 26 2.020 -14.862 -0.181 1.00 25.12 H new ATOM 0 HB3 LEU A 26 2.285 -13.130 -0.149 1.00 25.12 H new ATOM 0 HG LEU A 26 4.358 -15.138 -1.048 1.00 72.11 H new ATOM 0 HD11 LEU A 26 3.743 -14.395 -3.346 1.00 63.43 H new ATOM 0 HD12 LEU A 26 2.375 -15.169 -2.511 1.00 63.43 H new ATOM 0 HD13 LEU A 26 2.442 -13.397 -2.654 1.00 63.43 H new ATOM 0 HD21 LEU A 26 5.453 -13.219 -2.122 1.00 2.11 H new ATOM 0 HD22 LEU A 26 4.232 -12.136 -1.413 1.00 2.11 H new ATOM 0 HD23 LEU A 26 5.347 -13.033 -0.355 1.00 2.11 H new ATOM 145 N GLU A 27 5.350 -13.059 1.814 1.00 64.03 N ATOM 146 CA GLU A 27 6.154 -11.963 2.227 1.00 24.30 C ATOM 147 C GLU A 27 7.237 -11.744 1.187 1.00 60.14 C ATOM 148 O GLU A 27 7.997 -12.661 0.869 1.00 44.34 O ATOM 149 CB GLU A 27 6.717 -12.237 3.628 1.00 74.55 C ATOM 150 CG GLU A 27 7.431 -11.066 4.266 1.00 71.32 C ATOM 151 CD GLU A 27 7.827 -11.352 5.684 1.00 34.41 C ATOM 152 OE1 GLU A 27 6.970 -11.212 6.598 1.00 44.13 O ATOM 153 OE2 GLU A 27 8.986 -11.733 5.922 1.00 74.42 O ATOM 0 H GLU A 27 5.871 -13.881 1.509 1.00 64.03 H new ATOM 0 HA GLU A 27 5.569 -11.046 2.299 1.00 24.30 H new ATOM 0 HB2 GLU A 27 5.899 -12.544 4.279 1.00 74.55 H new ATOM 0 HB3 GLU A 27 7.409 -13.077 3.568 1.00 74.55 H new ATOM 0 HG2 GLU A 27 8.320 -10.823 3.684 1.00 71.32 H new ATOM 0 HG3 GLU A 27 6.784 -10.189 4.240 1.00 71.32 H new ATOM 160 N THR A 28 7.299 -10.569 0.654 1.00 61.21 N ATOM 161 CA THR A 28 8.229 -10.277 -0.400 1.00 12.13 C ATOM 162 C THR A 28 8.976 -8.989 -0.070 1.00 51.23 C ATOM 163 O THR A 28 8.582 -8.253 0.855 1.00 44.52 O ATOM 164 CB THR A 28 7.496 -10.179 -1.798 1.00 52.23 C ATOM 165 OG1 THR A 28 8.440 -9.967 -2.861 1.00 3.14 O ATOM 166 CG2 THR A 28 6.465 -9.056 -1.810 1.00 63.45 C ATOM 0 H THR A 28 6.711 -9.783 0.931 1.00 61.21 H new ATOM 0 HA THR A 28 8.949 -11.092 -0.477 1.00 12.13 H new ATOM 0 HB THR A 28 6.984 -11.128 -1.956 1.00 52.23 H new ATOM 0 HG1 THR A 28 7.963 -9.911 -3.716 1.00 3.14 H new ATOM 0 HG21 THR A 28 5.981 -9.017 -2.786 1.00 63.45 H new ATOM 0 HG22 THR A 28 5.716 -9.241 -1.040 1.00 63.45 H new ATOM 0 HG23 THR A 28 6.960 -8.105 -1.613 1.00 63.45 H new ATOM 174 N ASP A 29 10.039 -8.728 -0.778 1.00 14.51 N ATOM 175 CA ASP A 29 10.828 -7.542 -0.552 1.00 21.31 C ATOM 176 C ASP A 29 11.092 -6.833 -1.852 1.00 42.01 C ATOM 177 O ASP A 29 11.558 -7.438 -2.830 1.00 50.04 O ATOM 178 CB ASP A 29 12.158 -7.839 0.193 1.00 2.13 C ATOM 179 CG ASP A 29 13.102 -8.775 -0.531 1.00 40.34 C ATOM 180 OD1 ASP A 29 12.920 -10.013 -0.452 1.00 44.31 O ATOM 181 OD2 ASP A 29 14.051 -8.295 -1.177 1.00 1.41 O ATOM 0 H ASP A 29 10.385 -9.328 -1.527 1.00 14.51 H new ATOM 0 HA ASP A 29 10.245 -6.890 0.099 1.00 21.31 H new ATOM 0 HB2 ASP A 29 12.674 -6.896 0.374 1.00 2.13 H new ATOM 0 HB3 ASP A 29 11.923 -8.267 1.168 1.00 2.13 H new ATOM 186 N VAL A 30 10.756 -5.574 -1.881 1.00 25.11 N ATOM 187 CA VAL A 30 10.989 -4.742 -3.035 1.00 12.33 C ATOM 188 C VAL A 30 11.905 -3.607 -2.633 1.00 15.24 C ATOM 189 O VAL A 30 11.707 -2.987 -1.594 1.00 43.22 O ATOM 190 CB VAL A 30 9.662 -4.153 -3.623 1.00 52.22 C ATOM 191 CG1 VAL A 30 9.951 -3.265 -4.820 1.00 20.14 C ATOM 192 CG2 VAL A 30 8.715 -5.262 -4.035 1.00 63.42 C ATOM 0 H VAL A 30 10.310 -5.090 -1.102 1.00 25.11 H new ATOM 0 HA VAL A 30 11.442 -5.359 -3.811 1.00 12.33 H new ATOM 0 HB VAL A 30 9.191 -3.556 -2.842 1.00 52.22 H new ATOM 0 HG11 VAL A 30 9.015 -2.867 -5.212 1.00 20.14 H new ATOM 0 HG12 VAL A 30 10.596 -2.441 -4.515 1.00 20.14 H new ATOM 0 HG13 VAL A 30 10.450 -3.848 -5.594 1.00 20.14 H new ATOM 0 HG21 VAL A 30 7.801 -4.828 -4.440 1.00 63.42 H new ATOM 0 HG22 VAL A 30 9.190 -5.882 -4.795 1.00 63.42 H new ATOM 0 HG23 VAL A 30 8.472 -5.874 -3.167 1.00 63.42 H new ATOM 202 N GLU A 31 12.912 -3.363 -3.403 1.00 3.22 N ATOM 203 CA GLU A 31 13.793 -2.277 -3.116 1.00 32.22 C ATOM 204 C GLU A 31 13.403 -0.990 -3.823 1.00 31.22 C ATOM 205 O GLU A 31 12.951 -0.993 -4.969 1.00 74.31 O ATOM 206 CB GLU A 31 15.284 -2.657 -3.289 1.00 30.11 C ATOM 207 CG GLU A 31 15.696 -3.273 -4.627 1.00 75.01 C ATOM 208 CD GLU A 31 15.581 -2.348 -5.805 1.00 41.35 C ATOM 209 OE1 GLU A 31 16.387 -1.397 -5.902 1.00 32.34 O ATOM 210 OE2 GLU A 31 14.685 -2.554 -6.652 1.00 32.12 O ATOM 0 H GLU A 31 13.147 -3.901 -4.237 1.00 3.22 H new ATOM 0 HA GLU A 31 13.671 -2.060 -2.055 1.00 32.22 H new ATOM 0 HB2 GLU A 31 15.882 -1.759 -3.131 1.00 30.11 H new ATOM 0 HB3 GLU A 31 15.548 -3.359 -2.498 1.00 30.11 H new ATOM 0 HG2 GLU A 31 16.728 -3.616 -4.551 1.00 75.01 H new ATOM 0 HG3 GLU A 31 15.080 -4.153 -4.812 1.00 75.01 H new ATOM 217 N ILE A 32 13.532 0.082 -3.115 1.00 61.21 N ATOM 218 CA ILE A 32 13.270 1.395 -3.636 1.00 3.31 C ATOM 219 C ILE A 32 14.578 2.154 -3.693 1.00 3.25 C ATOM 220 O ILE A 32 15.542 1.786 -3.002 1.00 70.23 O ATOM 221 CB ILE A 32 12.227 2.181 -2.781 1.00 61.22 C ATOM 222 CG1 ILE A 32 12.698 2.307 -1.317 1.00 63.51 C ATOM 223 CG2 ILE A 32 10.849 1.513 -2.866 1.00 75.30 C ATOM 224 CD1 ILE A 32 11.758 3.082 -0.415 1.00 75.30 C ATOM 0 H ILE A 32 13.828 0.077 -2.139 1.00 61.21 H new ATOM 0 HA ILE A 32 12.838 1.291 -4.631 1.00 3.31 H new ATOM 0 HB ILE A 32 12.139 3.189 -3.187 1.00 61.22 H new ATOM 0 HG12 ILE A 32 12.833 1.307 -0.905 1.00 63.51 H new ATOM 0 HG13 ILE A 32 13.674 2.791 -1.304 1.00 63.51 H new ATOM 0 HG21 ILE A 32 10.135 2.075 -2.264 1.00 75.30 H new ATOM 0 HG22 ILE A 32 10.516 1.497 -3.904 1.00 75.30 H new ATOM 0 HG23 ILE A 32 10.916 0.492 -2.491 1.00 75.30 H new ATOM 0 HD11 ILE A 32 12.170 3.119 0.594 1.00 75.30 H new ATOM 0 HD12 ILE A 32 11.641 4.096 -0.797 1.00 75.30 H new ATOM 0 HD13 ILE A 32 10.786 2.589 -0.392 1.00 75.30 H new ATOM 236 N LYS A 33 14.633 3.168 -4.505 1.00 3.11 N ATOM 237 CA LYS A 33 15.850 3.951 -4.696 1.00 43.40 C ATOM 238 C LYS A 33 16.007 4.984 -3.593 1.00 25.43 C ATOM 239 O LYS A 33 17.095 5.526 -3.384 1.00 33.13 O ATOM 240 CB LYS A 33 15.780 4.657 -6.040 1.00 63.11 C ATOM 241 CG LYS A 33 15.516 3.716 -7.188 1.00 42.02 C ATOM 242 CD LYS A 33 15.323 4.455 -8.486 1.00 22.34 C ATOM 243 CE LYS A 33 14.893 3.504 -9.582 1.00 64.04 C ATOM 244 NZ LYS A 33 13.630 2.803 -9.233 1.00 71.53 N ATOM 0 H LYS A 33 13.841 3.488 -5.062 1.00 3.11 H new ATOM 0 HA LYS A 33 16.708 3.279 -4.666 1.00 43.40 H new ATOM 0 HB2 LYS A 33 14.993 5.411 -6.007 1.00 63.11 H new ATOM 0 HB3 LYS A 33 16.718 5.183 -6.217 1.00 63.11 H new ATOM 0 HG2 LYS A 33 16.349 3.021 -7.287 1.00 42.02 H new ATOM 0 HG3 LYS A 33 14.628 3.121 -6.973 1.00 42.02 H new ATOM 0 HD2 LYS A 33 14.572 5.235 -8.359 1.00 22.34 H new ATOM 0 HD3 LYS A 33 16.252 4.950 -8.770 1.00 22.34 H new ATOM 0 HE2 LYS A 33 14.758 4.057 -10.512 1.00 64.04 H new ATOM 0 HE3 LYS A 33 15.680 2.771 -9.758 1.00 64.04 H new ATOM 0 HZ1 LYS A 33 13.187 2.435 -10.099 1.00 71.53 H new ATOM 0 HZ2 LYS A 33 13.838 2.014 -8.588 1.00 71.53 H new ATOM 0 HZ3 LYS A 33 12.980 3.469 -8.768 1.00 71.53 H new ATOM 258 N ALA A 34 14.934 5.239 -2.893 1.00 32.14 N ATOM 259 CA ALA A 34 14.922 6.242 -1.856 1.00 74.12 C ATOM 260 C ALA A 34 15.292 5.659 -0.506 1.00 32.32 C ATOM 261 O ALA A 34 15.086 4.467 -0.247 1.00 71.44 O ATOM 262 CB ALA A 34 13.564 6.899 -1.785 1.00 54.41 C ATOM 0 H ALA A 34 14.043 4.759 -3.023 1.00 32.14 H new ATOM 0 HA ALA A 34 15.673 6.990 -2.110 1.00 74.12 H new ATOM 0 HB1 ALA A 34 13.566 7.654 -0.999 1.00 54.41 H new ATOM 0 HB2 ALA A 34 13.338 7.371 -2.741 1.00 54.41 H new ATOM 0 HB3 ALA A 34 12.807 6.147 -1.563 1.00 54.41 H new ATOM 268 N SER A 35 15.836 6.498 0.336 1.00 14.51 N ATOM 269 CA SER A 35 16.216 6.129 1.665 1.00 13.13 C ATOM 270 C SER A 35 14.976 6.051 2.564 1.00 24.42 C ATOM 271 O SER A 35 14.020 6.837 2.397 1.00 21.31 O ATOM 272 CB SER A 35 17.188 7.179 2.207 1.00 70.31 C ATOM 273 OG SER A 35 18.301 7.328 1.337 1.00 61.11 O ATOM 0 H SER A 35 16.029 7.473 0.109 1.00 14.51 H new ATOM 0 HA SER A 35 16.697 5.151 1.652 1.00 13.13 H new ATOM 0 HB2 SER A 35 16.675 8.135 2.317 1.00 70.31 H new ATOM 0 HB3 SER A 35 17.532 6.886 3.199 1.00 70.31 H new ATOM 0 HG SER A 35 18.911 8.005 1.699 1.00 61.11 H new ATOM 279 N ALA A 36 14.995 5.118 3.513 1.00 25.12 N ATOM 280 CA ALA A 36 13.913 4.941 4.482 1.00 10.42 C ATOM 281 C ALA A 36 13.734 6.202 5.299 1.00 55.40 C ATOM 282 O ALA A 36 12.658 6.475 5.824 1.00 43.31 O ATOM 283 CB ALA A 36 14.215 3.769 5.398 1.00 13.20 C ATOM 0 H ALA A 36 15.765 4.460 3.633 1.00 25.12 H new ATOM 0 HA ALA A 36 12.990 4.736 3.940 1.00 10.42 H new ATOM 0 HB1 ALA A 36 13.402 3.648 6.114 1.00 13.20 H new ATOM 0 HB2 ALA A 36 14.314 2.860 4.805 1.00 13.20 H new ATOM 0 HB3 ALA A 36 15.146 3.956 5.934 1.00 13.20 H new ATOM 289 N ASP A 37 14.810 6.968 5.388 1.00 21.23 N ATOM 290 CA ASP A 37 14.837 8.243 6.075 1.00 54.34 C ATOM 291 C ASP A 37 13.758 9.151 5.532 1.00 53.33 C ATOM 292 O ASP A 37 13.022 9.761 6.291 1.00 44.35 O ATOM 293 CB ASP A 37 16.201 8.916 5.900 1.00 41.41 C ATOM 294 CG ASP A 37 17.335 8.080 6.432 1.00 70.13 C ATOM 295 OD1 ASP A 37 17.790 7.173 5.717 1.00 13.24 O ATOM 296 OD2 ASP A 37 17.785 8.320 7.576 1.00 55.31 O ATOM 0 H ASP A 37 15.707 6.712 4.975 1.00 21.23 H new ATOM 0 HA ASP A 37 14.660 8.064 7.135 1.00 54.34 H new ATOM 0 HB2 ASP A 37 16.369 9.117 4.842 1.00 41.41 H new ATOM 0 HB3 ASP A 37 16.194 9.879 6.411 1.00 41.41 H new ATOM 301 N LYS A 38 13.617 9.202 4.209 1.00 13.13 N ATOM 302 CA LYS A 38 12.619 10.075 3.614 1.00 74.03 C ATOM 303 C LYS A 38 11.230 9.563 3.862 1.00 33.14 C ATOM 304 O LYS A 38 10.306 10.337 4.033 1.00 23.42 O ATOM 305 CB LYS A 38 12.826 10.303 2.132 1.00 41.42 C ATOM 306 CG LYS A 38 14.124 10.980 1.805 1.00 42.54 C ATOM 307 CD LYS A 38 14.163 11.463 0.373 1.00 4.45 C ATOM 308 CE LYS A 38 13.130 12.570 0.129 1.00 11.30 C ATOM 309 NZ LYS A 38 13.218 13.125 -1.235 1.00 73.44 N ATOM 0 H LYS A 38 14.170 8.660 3.545 1.00 13.13 H new ATOM 0 HA LYS A 38 12.743 11.039 4.107 1.00 74.03 H new ATOM 0 HB2 LYS A 38 12.786 9.344 1.616 1.00 41.42 H new ATOM 0 HB3 LYS A 38 12.004 10.906 1.747 1.00 41.42 H new ATOM 0 HG2 LYS A 38 14.272 11.825 2.477 1.00 42.54 H new ATOM 0 HG3 LYS A 38 14.948 10.288 1.977 1.00 42.54 H new ATOM 0 HD2 LYS A 38 15.160 11.836 0.140 1.00 4.45 H new ATOM 0 HD3 LYS A 38 13.970 10.628 -0.300 1.00 4.45 H new ATOM 0 HE2 LYS A 38 12.129 12.172 0.293 1.00 11.30 H new ATOM 0 HE3 LYS A 38 13.279 13.369 0.855 1.00 11.30 H new ATOM 0 HZ1 LYS A 38 12.827 14.089 -1.244 1.00 73.44 H new ATOM 0 HZ2 LYS A 38 14.213 13.153 -1.535 1.00 73.44 H new ATOM 0 HZ3 LYS A 38 12.676 12.526 -1.889 1.00 73.44 H new ATOM 323 N PHE A 39 11.094 8.258 3.908 1.00 74.52 N ATOM 324 CA PHE A 39 9.813 7.636 4.158 1.00 71.15 C ATOM 325 C PHE A 39 9.396 7.940 5.607 1.00 3.42 C ATOM 326 O PHE A 39 8.232 8.203 5.889 1.00 71.42 O ATOM 327 CB PHE A 39 9.908 6.129 3.878 1.00 74.34 C ATOM 328 CG PHE A 39 8.597 5.390 3.890 1.00 4.22 C ATOM 329 CD1 PHE A 39 7.687 5.559 2.857 1.00 11.44 C ATOM 330 CD2 PHE A 39 8.283 4.526 4.913 1.00 32.00 C ATOM 331 CE1 PHE A 39 6.488 4.878 2.852 1.00 42.32 C ATOM 332 CE2 PHE A 39 7.085 3.835 4.911 1.00 1.43 C ATOM 333 CZ PHE A 39 6.186 4.013 3.880 1.00 30.42 C ATOM 0 H PHE A 39 11.862 7.601 3.774 1.00 74.52 H new ATOM 0 HA PHE A 39 9.047 8.036 3.494 1.00 71.15 H new ATOM 0 HB2 PHE A 39 10.378 5.986 2.905 1.00 74.34 H new ATOM 0 HB3 PHE A 39 10.567 5.679 4.620 1.00 74.34 H new ATOM 0 HD1 PHE A 39 7.921 6.233 2.046 1.00 11.44 H new ATOM 0 HD2 PHE A 39 8.979 4.386 5.727 1.00 32.00 H new ATOM 0 HE1 PHE A 39 5.787 5.023 2.043 1.00 42.32 H new ATOM 0 HE2 PHE A 39 6.853 3.155 5.718 1.00 1.43 H new ATOM 0 HZ PHE A 39 5.249 3.476 3.879 1.00 30.42 H new ATOM 343 N HIS A 40 10.386 7.950 6.502 1.00 64.44 N ATOM 344 CA HIS A 40 10.184 8.336 7.902 1.00 21.02 C ATOM 345 C HIS A 40 9.782 9.816 7.970 1.00 25.11 C ATOM 346 O HIS A 40 8.923 10.211 8.761 1.00 31.00 O ATOM 347 CB HIS A 40 11.472 8.086 8.719 1.00 52.30 C ATOM 348 CG HIS A 40 11.372 8.441 10.181 1.00 50.31 C ATOM 349 ND1 HIS A 40 12.108 9.440 10.766 1.00 70.43 N ATOM 350 CD2 HIS A 40 10.639 7.902 11.172 1.00 43.13 C ATOM 351 CE1 HIS A 40 11.833 9.497 12.047 1.00 41.31 C ATOM 352 NE2 HIS A 40 10.948 8.580 12.324 1.00 51.44 N ATOM 0 H HIS A 40 11.347 7.692 6.279 1.00 64.44 H new ATOM 0 HA HIS A 40 9.386 7.730 8.332 1.00 21.02 H new ATOM 0 HB2 HIS A 40 11.742 7.033 8.633 1.00 52.30 H new ATOM 0 HB3 HIS A 40 12.285 8.661 8.275 1.00 52.30 H new ATOM 0 HD2 HIS A 40 9.937 7.086 11.078 1.00 43.13 H new ATOM 0 HE1 HIS A 40 12.267 10.188 12.754 1.00 41.31 H new ATOM 0 HE2 HIS A 40 10.551 8.397 13.246 1.00 51.44 H new ATOM 361 N HIS A 41 10.406 10.622 7.109 1.00 3.20 N ATOM 362 CA HIS A 41 10.082 12.052 6.983 1.00 10.23 C ATOM 363 C HIS A 41 8.634 12.240 6.547 1.00 11.31 C ATOM 364 O HIS A 41 7.996 13.233 6.896 1.00 21.23 O ATOM 365 CB HIS A 41 11.030 12.788 5.993 1.00 15.03 C ATOM 366 CG HIS A 41 12.436 13.032 6.490 1.00 0.21 C ATOM 367 ND1 HIS A 41 13.258 14.011 5.976 1.00 31.01 N ATOM 368 CD2 HIS A 41 13.157 12.417 7.444 1.00 53.01 C ATOM 369 CE1 HIS A 41 14.416 13.980 6.603 1.00 1.25 C ATOM 370 NE2 HIS A 41 14.378 13.024 7.497 1.00 51.20 N ATOM 0 H HIS A 41 11.146 10.309 6.481 1.00 3.20 H new ATOM 0 HA HIS A 41 10.224 12.494 7.969 1.00 10.23 H new ATOM 0 HB2 HIS A 41 11.086 12.207 5.072 1.00 15.03 H new ATOM 0 HB3 HIS A 41 10.583 13.749 5.737 1.00 15.03 H new ATOM 0 HD2 HIS A 41 12.829 11.591 8.058 1.00 53.01 H new ATOM 0 HE1 HIS A 41 15.255 14.633 6.412 1.00 1.25 H new ATOM 0 HE2 HIS A 41 15.138 12.774 8.130 1.00 51.20 H new ATOM 778 N THR A 70 -5.713 9.979 10.206 1.00 54.24 N ATOM 779 CA THR A 70 -5.878 9.223 11.404 1.00 24.02 C ATOM 780 C THR A 70 -6.065 7.745 11.038 1.00 32.12 C ATOM 781 O THR A 70 -6.296 7.414 9.857 1.00 10.43 O ATOM 782 CB THR A 70 -7.117 9.759 12.197 1.00 23.34 C ATOM 783 OG1 THR A 70 -7.265 9.084 13.455 1.00 54.14 O ATOM 784 CG2 THR A 70 -8.401 9.606 11.382 1.00 24.54 C ATOM 0 HA THR A 70 -4.996 9.324 12.037 1.00 24.02 H new ATOM 0 HB THR A 70 -6.941 10.818 12.386 1.00 23.34 H new ATOM 0 HG1 THR A 70 -8.046 9.441 13.928 1.00 54.14 H new ATOM 0 HG21 THR A 70 -9.245 9.986 11.958 1.00 24.54 H new ATOM 0 HG22 THR A 70 -8.312 10.170 10.453 1.00 24.54 H new ATOM 0 HG23 THR A 70 -8.563 8.553 11.153 1.00 24.54 H new ATOM 792 N VAL A 71 -5.949 6.869 12.019 1.00 3.11 N ATOM 793 CA VAL A 71 -6.129 5.449 11.800 1.00 3.21 C ATOM 794 C VAL A 71 -7.582 5.181 11.412 1.00 52.54 C ATOM 795 O VAL A 71 -8.514 5.764 11.990 1.00 63.00 O ATOM 796 CB VAL A 71 -5.735 4.615 13.053 1.00 30.42 C ATOM 797 CG1 VAL A 71 -5.943 3.128 12.812 1.00 64.41 C ATOM 798 CG2 VAL A 71 -4.286 4.882 13.429 1.00 44.13 C ATOM 0 H VAL A 71 -5.729 7.121 12.983 1.00 3.11 H new ATOM 0 HA VAL A 71 -5.468 5.139 10.991 1.00 3.21 H new ATOM 0 HB VAL A 71 -6.381 4.921 13.876 1.00 30.42 H new ATOM 0 HG11 VAL A 71 -5.659 2.571 13.705 1.00 64.41 H new ATOM 0 HG12 VAL A 71 -6.992 2.939 12.585 1.00 64.41 H new ATOM 0 HG13 VAL A 71 -5.327 2.806 11.973 1.00 64.41 H new ATOM 0 HG21 VAL A 71 -4.023 4.292 14.307 1.00 44.13 H new ATOM 0 HG22 VAL A 71 -3.637 4.604 12.598 1.00 44.13 H new ATOM 0 HG23 VAL A 71 -4.157 5.941 13.652 1.00 44.13 H new ATOM 808 N GLY A 72 -7.776 4.334 10.433 1.00 40.05 N ATOM 809 CA GLY A 72 -9.099 4.093 9.940 1.00 44.11 C ATOM 810 C GLY A 72 -9.340 4.839 8.660 1.00 4.21 C ATOM 811 O GLY A 72 -10.422 4.763 8.088 1.00 10.01 O ATOM 0 H GLY A 72 -7.038 3.806 9.968 1.00 40.05 H new ATOM 0 HA2 GLY A 72 -9.240 3.025 9.775 1.00 44.11 H new ATOM 0 HA3 GLY A 72 -9.831 4.400 10.687 1.00 44.11 H new ATOM 815 N SER A 73 -8.328 5.586 8.226 1.00 35.41 N ATOM 816 CA SER A 73 -8.387 6.320 6.985 1.00 15.51 C ATOM 817 C SER A 73 -8.556 5.342 5.833 1.00 10.43 C ATOM 818 O SER A 73 -7.914 4.286 5.808 1.00 61.23 O ATOM 819 CB SER A 73 -7.099 7.157 6.804 1.00 62.23 C ATOM 820 OG SER A 73 -7.119 7.949 5.610 1.00 25.10 O ATOM 0 H SER A 73 -7.449 5.693 8.731 1.00 35.41 H new ATOM 0 HA SER A 73 -9.238 7.001 7.001 1.00 15.51 H new ATOM 0 HB2 SER A 73 -6.971 7.811 7.667 1.00 62.23 H new ATOM 0 HB3 SER A 73 -6.237 6.490 6.779 1.00 62.23 H new ATOM 0 HG SER A 73 -6.285 8.460 5.542 1.00 25.10 H new ATOM 826 N ILE A 74 -9.451 5.671 4.934 1.00 15.23 N ATOM 827 CA ILE A 74 -9.711 4.884 3.759 1.00 24.41 C ATOM 828 C ILE A 74 -9.639 5.763 2.546 1.00 24.53 C ATOM 829 O ILE A 74 -10.384 6.773 2.438 1.00 62.40 O ATOM 830 CB ILE A 74 -11.104 4.213 3.825 1.00 14.25 C ATOM 831 CG1 ILE A 74 -11.125 3.236 4.985 1.00 42.21 C ATOM 832 CG2 ILE A 74 -11.440 3.498 2.502 1.00 23.44 C ATOM 833 CD1 ILE A 74 -12.460 2.603 5.236 1.00 54.24 C ATOM 0 H ILE A 74 -10.028 6.509 5.002 1.00 15.23 H new ATOM 0 HA ILE A 74 -8.958 4.098 3.702 1.00 24.41 H new ATOM 0 HB ILE A 74 -11.863 4.980 3.980 1.00 14.25 H new ATOM 0 HG12 ILE A 74 -10.394 2.450 4.796 1.00 42.21 H new ATOM 0 HG13 ILE A 74 -10.807 3.756 5.889 1.00 42.21 H new ATOM 0 HG21 ILE A 74 -12.424 3.036 2.578 1.00 23.44 H new ATOM 0 HG22 ILE A 74 -11.441 4.222 1.687 1.00 23.44 H new ATOM 0 HG23 ILE A 74 -10.693 2.730 2.304 1.00 23.44 H new ATOM 0 HD11 ILE A 74 -12.385 1.919 6.082 1.00 54.24 H new ATOM 0 HD12 ILE A 74 -13.194 3.378 5.459 1.00 54.24 H new ATOM 0 HD13 ILE A 74 -12.773 2.051 4.350 1.00 54.24 H new ATOM 845 N VAL A 75 -8.747 5.444 1.666 1.00 45.04 N ATOM 846 CA VAL A 75 -8.602 6.164 0.425 1.00 44.23 C ATOM 847 C VAL A 75 -8.558 5.206 -0.714 1.00 43.11 C ATOM 848 O VAL A 75 -8.239 4.032 -0.544 1.00 12.25 O ATOM 849 CB VAL A 75 -7.337 7.078 0.366 1.00 1.12 C ATOM 850 CG1 VAL A 75 -7.335 8.069 1.487 1.00 2.34 C ATOM 851 CG2 VAL A 75 -6.041 6.275 0.352 1.00 34.11 C ATOM 0 H VAL A 75 -8.090 4.673 1.781 1.00 45.04 H new ATOM 0 HA VAL A 75 -9.470 6.819 0.357 1.00 44.23 H new ATOM 0 HB VAL A 75 -7.387 7.623 -0.577 1.00 1.12 H new ATOM 0 HG11 VAL A 75 -6.443 8.692 1.421 1.00 2.34 H new ATOM 0 HG12 VAL A 75 -8.223 8.698 1.418 1.00 2.34 H new ATOM 0 HG13 VAL A 75 -7.338 7.540 2.440 1.00 2.34 H new ATOM 0 HG21 VAL A 75 -5.191 6.956 0.311 1.00 34.11 H new ATOM 0 HG22 VAL A 75 -5.978 5.671 1.257 1.00 34.11 H new ATOM 0 HG23 VAL A 75 -6.026 5.623 -0.521 1.00 34.11 H new ATOM 861 N PHE A 76 -8.894 5.678 -1.866 1.00 42.33 N ATOM 862 CA PHE A 76 -8.822 4.863 -3.004 1.00 41.13 C ATOM 863 C PHE A 76 -7.775 5.345 -3.943 1.00 53.21 C ATOM 864 O PHE A 76 -7.704 6.533 -4.297 1.00 62.14 O ATOM 865 CB PHE A 76 -10.182 4.638 -3.656 1.00 3.43 C ATOM 866 CG PHE A 76 -11.122 3.898 -2.744 1.00 72.31 C ATOM 867 CD1 PHE A 76 -10.677 2.782 -2.062 1.00 20.34 C ATOM 868 CD2 PHE A 76 -12.428 4.301 -2.574 1.00 51.20 C ATOM 869 CE1 PHE A 76 -11.494 2.083 -1.233 1.00 1.04 C ATOM 870 CE2 PHE A 76 -13.271 3.601 -1.732 1.00 21.23 C ATOM 871 CZ PHE A 76 -12.802 2.485 -1.059 1.00 21.33 C ATOM 0 H PHE A 76 -9.221 6.630 -2.033 1.00 42.33 H new ATOM 0 HA PHE A 76 -8.509 3.870 -2.680 1.00 41.13 H new ATOM 0 HB2 PHE A 76 -10.619 5.599 -3.926 1.00 3.43 H new ATOM 0 HB3 PHE A 76 -10.053 4.075 -4.580 1.00 3.43 H new ATOM 0 HD1 PHE A 76 -9.655 2.458 -2.191 1.00 20.34 H new ATOM 0 HD2 PHE A 76 -12.795 5.169 -3.102 1.00 51.20 H new ATOM 0 HE1 PHE A 76 -11.121 1.214 -0.711 1.00 1.04 H new ATOM 0 HE2 PHE A 76 -14.293 3.923 -1.599 1.00 21.23 H new ATOM 0 HZ PHE A 76 -13.457 1.933 -0.402 1.00 21.33 H new ATOM 881 N TRP A 77 -6.955 4.441 -4.327 1.00 11.22 N ATOM 882 CA TRP A 77 -5.874 4.707 -5.164 1.00 25.04 C ATOM 883 C TRP A 77 -6.180 4.148 -6.523 1.00 41.24 C ATOM 884 O TRP A 77 -6.467 2.960 -6.668 1.00 60.50 O ATOM 885 CB TRP A 77 -4.641 4.042 -4.547 1.00 64.21 C ATOM 886 CG TRP A 77 -3.396 4.219 -5.315 1.00 33.40 C ATOM 887 CD1 TRP A 77 -2.873 5.385 -5.704 1.00 64.52 C ATOM 888 CD2 TRP A 77 -2.498 3.197 -5.752 1.00 14.32 C ATOM 889 NE1 TRP A 77 -1.699 5.173 -6.383 1.00 5.40 N ATOM 890 CE2 TRP A 77 -1.449 3.832 -6.423 1.00 55.43 C ATOM 891 CE3 TRP A 77 -2.485 1.805 -5.645 1.00 3.44 C ATOM 892 CZ2 TRP A 77 -0.390 3.132 -6.988 1.00 0.14 C ATOM 893 CZ3 TRP A 77 -1.435 1.109 -6.204 1.00 64.40 C ATOM 894 CH2 TRP A 77 -0.402 1.774 -6.867 1.00 55.44 C ATOM 0 H TRP A 77 -7.031 3.462 -4.050 1.00 11.22 H new ATOM 0 HA TRP A 77 -5.687 5.776 -5.270 1.00 25.04 H new ATOM 0 HB2 TRP A 77 -4.493 4.442 -3.544 1.00 64.21 H new ATOM 0 HB3 TRP A 77 -4.836 2.975 -4.439 1.00 64.21 H new ATOM 0 HD1 TRP A 77 -3.310 6.354 -5.512 1.00 64.52 H new ATOM 0 HE1 TRP A 77 -1.110 5.899 -6.791 1.00 5.40 H new ATOM 0 HE3 TRP A 77 -3.282 1.284 -5.135 1.00 3.44 H new ATOM 0 HZ2 TRP A 77 0.410 3.643 -7.502 1.00 0.14 H new ATOM 0 HZ3 TRP A 77 -1.411 0.032 -6.128 1.00 64.40 H new ATOM 0 HH2 TRP A 77 0.407 1.199 -7.294 1.00 55.44 H new ATOM 905 N ASN A 78 -6.179 5.015 -7.496 1.00 34.42 N ATOM 906 CA ASN A 78 -6.446 4.643 -8.862 1.00 3.02 C ATOM 907 C ASN A 78 -5.157 4.634 -9.612 1.00 35.23 C ATOM 908 O ASN A 78 -4.361 5.576 -9.512 1.00 72.44 O ATOM 909 CB ASN A 78 -7.446 5.607 -9.555 1.00 31.43 C ATOM 910 CG ASN A 78 -8.893 5.560 -9.029 1.00 40.30 C ATOM 911 OD1 ASN A 78 -9.079 5.259 -7.765 1.00 55.31 O flip ATOM 912 ND2 ASN A 78 -9.843 5.809 -9.779 1.00 54.34 N flip ATOM 0 H ASN A 78 -5.992 6.009 -7.365 1.00 34.42 H new ATOM 0 HA ASN A 78 -6.905 3.654 -8.861 1.00 3.02 H new ATOM 0 HB2 ASN A 78 -7.073 6.626 -9.449 1.00 31.43 H new ATOM 0 HB3 ASN A 78 -7.459 5.382 -10.621 1.00 31.43 H new ATOM 0 HD21 ASN A 78 -9.673 6.040 -10.758 1.00 54.34 H new ATOM 0 HD22 ASN A 78 -10.797 5.783 -9.419 1.00 54.34 H new ATOM 919 N TYR A 79 -4.932 3.592 -10.333 1.00 42.02 N ATOM 920 CA TYR A 79 -3.734 3.450 -11.101 1.00 72.25 C ATOM 921 C TYR A 79 -4.057 2.728 -12.381 1.00 53.25 C ATOM 922 O TYR A 79 -5.044 2.010 -12.448 1.00 62.52 O ATOM 923 CB TYR A 79 -2.631 2.723 -10.285 1.00 3.51 C ATOM 924 CG TYR A 79 -2.960 1.314 -9.812 1.00 40.32 C ATOM 925 CD1 TYR A 79 -3.828 1.097 -8.746 1.00 4.43 C ATOM 926 CD2 TYR A 79 -2.378 0.208 -10.414 1.00 13.33 C ATOM 927 CE1 TYR A 79 -4.105 -0.181 -8.297 1.00 31.44 C ATOM 928 CE2 TYR A 79 -2.654 -1.071 -9.974 1.00 3.52 C ATOM 929 CZ TYR A 79 -3.514 -1.260 -8.915 1.00 24.32 C ATOM 930 OH TYR A 79 -3.787 -2.539 -8.475 1.00 12.55 O ATOM 0 H TYR A 79 -5.576 2.805 -10.410 1.00 42.02 H new ATOM 0 HA TYR A 79 -3.337 4.435 -11.347 1.00 72.25 H new ATOM 0 HB2 TYR A 79 -1.729 2.677 -10.895 1.00 3.51 H new ATOM 0 HB3 TYR A 79 -2.395 3.331 -9.411 1.00 3.51 H new ATOM 0 HD1 TYR A 79 -4.294 1.942 -8.261 1.00 4.43 H new ATOM 0 HD2 TYR A 79 -1.698 0.350 -11.241 1.00 13.33 H new ATOM 0 HE1 TYR A 79 -4.780 -0.332 -7.468 1.00 31.44 H new ATOM 0 HE2 TYR A 79 -2.197 -1.921 -10.459 1.00 3.52 H new ATOM 0 HH TYR A 79 -3.290 -3.185 -9.019 1.00 12.55 H new ATOM 940 N VAL A 80 -3.256 2.896 -13.379 1.00 41.04 N ATOM 941 CA VAL A 80 -3.537 2.286 -14.647 1.00 73.31 C ATOM 942 C VAL A 80 -2.626 1.112 -14.856 1.00 63.40 C ATOM 943 O VAL A 80 -1.404 1.229 -14.776 1.00 3.04 O ATOM 944 CB VAL A 80 -3.397 3.291 -15.827 1.00 3.33 C ATOM 945 CG1 VAL A 80 -3.689 2.613 -17.165 1.00 24.42 C ATOM 946 CG2 VAL A 80 -4.334 4.471 -15.626 1.00 53.32 C ATOM 0 H VAL A 80 -2.400 3.450 -13.347 1.00 41.04 H new ATOM 0 HA VAL A 80 -4.574 1.951 -14.631 1.00 73.31 H new ATOM 0 HB VAL A 80 -2.368 3.650 -15.844 1.00 3.33 H new ATOM 0 HG11 VAL A 80 -3.584 3.339 -17.971 1.00 24.42 H new ATOM 0 HG12 VAL A 80 -2.986 1.795 -17.319 1.00 24.42 H new ATOM 0 HG13 VAL A 80 -4.706 2.221 -17.160 1.00 24.42 H new ATOM 0 HG21 VAL A 80 -4.227 5.167 -16.458 1.00 53.32 H new ATOM 0 HG22 VAL A 80 -5.363 4.115 -15.581 1.00 53.32 H new ATOM 0 HG23 VAL A 80 -4.085 4.979 -14.694 1.00 53.32 H new ATOM 956 N HIS A 81 -3.224 -0.014 -15.087 1.00 73.55 N ATOM 957 CA HIS A 81 -2.512 -1.229 -15.302 1.00 53.03 C ATOM 958 C HIS A 81 -3.152 -1.986 -16.459 1.00 72.22 C ATOM 959 O HIS A 81 -4.342 -2.325 -16.408 1.00 52.23 O ATOM 960 CB HIS A 81 -2.485 -2.056 -14.009 1.00 4.41 C ATOM 961 CG HIS A 81 -1.884 -3.400 -14.157 1.00 51.15 C ATOM 962 ND1 HIS A 81 -0.551 -3.651 -14.041 1.00 13.43 N ATOM 963 CD2 HIS A 81 -2.463 -4.560 -14.453 1.00 3.34 C ATOM 964 CE1 HIS A 81 -0.327 -4.920 -14.280 1.00 13.45 C ATOM 965 NE2 HIS A 81 -1.482 -5.499 -14.534 1.00 53.13 N ATOM 0 H HIS A 81 -4.238 -0.114 -15.132 1.00 73.55 H new ATOM 0 HA HIS A 81 -1.477 -1.019 -15.570 1.00 53.03 H new ATOM 0 HB2 HIS A 81 -1.930 -1.504 -13.250 1.00 4.41 H new ATOM 0 HB3 HIS A 81 -3.505 -2.166 -13.641 1.00 4.41 H new ATOM 0 HD1 HIS A 81 0.161 -2.960 -13.805 1.00 13.43 H new ATOM 0 HD2 HIS A 81 -3.520 -4.726 -14.602 1.00 3.34 H new ATOM 0 HE1 HIS A 81 0.637 -5.406 -14.270 1.00 13.45 H new ATOM 974 N ASP A 82 -2.357 -2.217 -17.489 1.00 51.02 N ATOM 975 CA ASP A 82 -2.760 -2.873 -18.752 1.00 5.14 C ATOM 976 C ASP A 82 -3.810 -2.068 -19.479 1.00 43.05 C ATOM 977 O ASP A 82 -4.551 -2.590 -20.290 1.00 73.53 O ATOM 978 CB ASP A 82 -3.250 -4.331 -18.557 1.00 55.35 C ATOM 979 CG ASP A 82 -2.156 -5.310 -18.208 1.00 43.31 C ATOM 980 OD1 ASP A 82 -1.231 -5.491 -19.025 1.00 54.22 O ATOM 981 OD2 ASP A 82 -2.206 -5.921 -17.123 1.00 61.54 O ATOM 0 H ASP A 82 -1.373 -1.948 -17.483 1.00 51.02 H new ATOM 0 HA ASP A 82 -1.857 -2.917 -19.361 1.00 5.14 H new ATOM 0 HB2 ASP A 82 -4.002 -4.347 -17.768 1.00 55.35 H new ATOM 0 HB3 ASP A 82 -3.741 -4.663 -19.472 1.00 55.35 H new ATOM 986 N GLY A 83 -3.784 -0.778 -19.272 1.00 75.45 N ATOM 987 CA GLY A 83 -4.736 0.097 -19.913 1.00 75.21 C ATOM 988 C GLY A 83 -6.038 0.247 -19.142 1.00 5.51 C ATOM 989 O GLY A 83 -6.844 1.124 -19.453 1.00 2.12 O ATOM 0 H GLY A 83 -3.114 -0.307 -18.664 1.00 75.45 H new ATOM 0 HA2 GLY A 83 -4.284 1.080 -20.042 1.00 75.21 H new ATOM 0 HA3 GLY A 83 -4.955 -0.286 -20.910 1.00 75.21 H new ATOM 993 N GLU A 84 -6.255 -0.593 -18.150 1.00 41.44 N ATOM 994 CA GLU A 84 -7.448 -0.485 -17.332 1.00 64.55 C ATOM 995 C GLU A 84 -7.147 0.302 -16.101 1.00 22.51 C ATOM 996 O GLU A 84 -6.006 0.292 -15.601 1.00 23.55 O ATOM 997 CB GLU A 84 -8.019 -1.847 -16.885 1.00 12.02 C ATOM 998 CG GLU A 84 -8.622 -2.741 -17.959 1.00 64.34 C ATOM 999 CD GLU A 84 -7.630 -3.281 -18.942 1.00 60.30 C ATOM 1000 OE1 GLU A 84 -6.969 -4.302 -18.633 1.00 21.41 O ATOM 1001 OE2 GLU A 84 -7.508 -2.719 -20.035 1.00 23.00 O ATOM 0 H GLU A 84 -5.626 -1.353 -17.891 1.00 41.44 H new ATOM 0 HA GLU A 84 -8.193 0.004 -17.959 1.00 64.55 H new ATOM 0 HB2 GLU A 84 -7.220 -2.402 -16.394 1.00 12.02 H new ATOM 0 HB3 GLU A 84 -8.786 -1.660 -16.133 1.00 12.02 H new ATOM 0 HG2 GLU A 84 -9.129 -3.577 -17.477 1.00 64.34 H new ATOM 0 HG3 GLU A 84 -9.381 -2.177 -18.500 1.00 64.34 H new ATOM 1008 N ALA A 85 -8.142 0.965 -15.595 1.00 74.13 N ATOM 1009 CA ALA A 85 -7.993 1.696 -14.380 1.00 70.04 C ATOM 1010 C ALA A 85 -8.248 0.756 -13.234 1.00 64.51 C ATOM 1011 O ALA A 85 -9.346 0.217 -13.088 1.00 3.34 O ATOM 1012 CB ALA A 85 -8.954 2.871 -14.334 1.00 0.22 C ATOM 0 H ALA A 85 -9.072 1.013 -16.011 1.00 74.13 H new ATOM 0 HA ALA A 85 -6.983 2.101 -14.313 1.00 70.04 H new ATOM 0 HB1 ALA A 85 -8.821 3.413 -13.398 1.00 0.22 H new ATOM 0 HB2 ALA A 85 -8.753 3.539 -15.172 1.00 0.22 H new ATOM 0 HB3 ALA A 85 -9.979 2.506 -14.400 1.00 0.22 H new ATOM 1018 N LYS A 86 -7.253 0.540 -12.452 1.00 44.32 N ATOM 1019 CA LYS A 86 -7.343 -0.330 -11.328 1.00 62.12 C ATOM 1020 C LYS A 86 -7.580 0.540 -10.123 1.00 60.23 C ATOM 1021 O LYS A 86 -7.148 1.704 -10.095 1.00 22.51 O ATOM 1022 CB LYS A 86 -6.021 -1.054 -11.107 1.00 3.32 C ATOM 1023 CG LYS A 86 -5.382 -1.831 -12.275 1.00 71.15 C ATOM 1024 CD LYS A 86 -6.095 -3.125 -12.707 1.00 70.33 C ATOM 1025 CE LYS A 86 -7.366 -2.896 -13.478 1.00 73.30 C ATOM 1026 NZ LYS A 86 -7.981 -4.176 -13.893 1.00 55.22 N ATOM 0 H LYS A 86 -6.336 0.969 -12.574 1.00 44.32 H new ATOM 0 HA LYS A 86 -8.135 -1.061 -11.488 1.00 62.12 H new ATOM 0 HB2 LYS A 86 -5.295 -0.314 -10.769 1.00 3.32 H new ATOM 0 HB3 LYS A 86 -6.165 -1.757 -10.286 1.00 3.32 H new ATOM 0 HG2 LYS A 86 -5.327 -1.167 -13.138 1.00 71.15 H new ATOM 0 HG3 LYS A 86 -4.358 -2.081 -11.999 1.00 71.15 H new ATOM 0 HD2 LYS A 86 -5.413 -3.716 -13.318 1.00 70.33 H new ATOM 0 HD3 LYS A 86 -6.322 -3.716 -11.820 1.00 70.33 H new ATOM 0 HE2 LYS A 86 -8.070 -2.334 -12.864 1.00 73.30 H new ATOM 0 HE3 LYS A 86 -7.155 -2.289 -14.358 1.00 73.30 H new ATOM 0 HZ1 LYS A 86 -8.856 -3.985 -14.423 1.00 55.22 H new ATOM 0 HZ2 LYS A 86 -7.317 -4.700 -14.498 1.00 55.22 H new ATOM 0 HZ3 LYS A 86 -8.203 -4.744 -13.050 1.00 55.22 H new ATOM 1040 N VAL A 87 -8.239 0.012 -9.147 1.00 24.32 N ATOM 1041 CA VAL A 87 -8.492 0.741 -7.938 1.00 13.25 C ATOM 1042 C VAL A 87 -8.079 -0.113 -6.763 1.00 24.03 C ATOM 1043 O VAL A 87 -8.445 -1.285 -6.688 1.00 73.31 O ATOM 1044 CB VAL A 87 -9.996 1.136 -7.794 1.00 53.40 C ATOM 1045 CG1 VAL A 87 -10.228 1.936 -6.517 1.00 35.31 C ATOM 1046 CG2 VAL A 87 -10.473 1.930 -9.004 1.00 73.20 C ATOM 0 H VAL A 87 -8.619 -0.934 -9.159 1.00 24.32 H new ATOM 0 HA VAL A 87 -7.914 1.665 -7.969 1.00 13.25 H new ATOM 0 HB VAL A 87 -10.575 0.214 -7.737 1.00 53.40 H new ATOM 0 HG11 VAL A 87 -11.283 2.199 -6.439 1.00 35.31 H new ATOM 0 HG12 VAL A 87 -9.939 1.336 -5.654 1.00 35.31 H new ATOM 0 HG13 VAL A 87 -9.628 2.846 -6.543 1.00 35.31 H new ATOM 0 HG21 VAL A 87 -11.523 2.192 -8.877 1.00 73.20 H new ATOM 0 HG22 VAL A 87 -9.881 2.841 -9.098 1.00 73.20 H new ATOM 0 HG23 VAL A 87 -10.356 1.327 -9.904 1.00 73.20 H new ATOM 1056 N ALA A 88 -7.387 0.469 -5.837 1.00 1.22 N ATOM 1057 CA ALA A 88 -6.912 -0.251 -4.693 1.00 25.14 C ATOM 1058 C ALA A 88 -7.738 0.147 -3.509 1.00 42.20 C ATOM 1059 O ALA A 88 -8.081 1.322 -3.349 1.00 61.52 O ATOM 1060 CB ALA A 88 -5.453 0.069 -4.441 1.00 64.44 C ATOM 0 H ALA A 88 -7.134 1.457 -5.850 1.00 1.22 H new ATOM 0 HA ALA A 88 -7.000 -1.324 -4.867 1.00 25.14 H new ATOM 0 HB1 ALA A 88 -5.104 -0.484 -3.569 1.00 64.44 H new ATOM 0 HB2 ALA A 88 -4.862 -0.216 -5.312 1.00 64.44 H new ATOM 0 HB3 ALA A 88 -5.341 1.138 -4.261 1.00 64.44 H new ATOM 1066 N LYS A 89 -8.088 -0.834 -2.710 1.00 21.14 N ATOM 1067 CA LYS A 89 -8.971 -0.645 -1.599 1.00 32.51 C ATOM 1068 C LYS A 89 -8.144 -0.812 -0.349 1.00 13.25 C ATOM 1069 O LYS A 89 -7.496 -1.850 -0.189 1.00 24.23 O ATOM 1070 CB LYS A 89 -10.058 -1.736 -1.633 1.00 22.12 C ATOM 1071 CG LYS A 89 -10.661 -2.017 -3.023 1.00 60.20 C ATOM 1072 CD LYS A 89 -11.243 -0.776 -3.683 1.00 32.43 C ATOM 1073 CE LYS A 89 -11.937 -1.120 -5.001 1.00 4.25 C ATOM 1074 NZ LYS A 89 -11.058 -1.850 -5.959 1.00 54.54 N ATOM 0 H LYS A 89 -7.760 -1.794 -2.820 1.00 21.14 H new ATOM 0 HA LYS A 89 -9.445 0.336 -1.631 1.00 32.51 H new ATOM 0 HB2 LYS A 89 -9.633 -2.662 -1.245 1.00 22.12 H new ATOM 0 HB3 LYS A 89 -10.863 -1.446 -0.957 1.00 22.12 H new ATOM 0 HG2 LYS A 89 -9.890 -2.437 -3.669 1.00 60.20 H new ATOM 0 HG3 LYS A 89 -11.442 -2.771 -2.928 1.00 60.20 H new ATOM 0 HD2 LYS A 89 -11.955 -0.303 -3.007 1.00 32.43 H new ATOM 0 HD3 LYS A 89 -10.448 -0.053 -3.866 1.00 32.43 H new ATOM 0 HE2 LYS A 89 -12.818 -1.727 -4.792 1.00 4.25 H new ATOM 0 HE3 LYS A 89 -12.288 -0.200 -5.469 1.00 4.25 H new ATOM 0 HZ1 LYS A 89 -11.502 -1.860 -6.899 1.00 54.54 H new ATOM 0 HZ2 LYS A 89 -10.136 -1.373 -6.017 1.00 54.54 H new ATOM 0 HZ3 LYS A 89 -10.922 -2.827 -5.630 1.00 54.54 H new ATOM 1088 N GLU A 90 -8.165 0.156 0.534 1.00 31.05 N ATOM 1089 CA GLU A 90 -7.304 0.115 1.674 1.00 73.52 C ATOM 1090 C GLU A 90 -7.902 0.850 2.851 1.00 33.35 C ATOM 1091 O GLU A 90 -8.787 1.684 2.692 1.00 64.34 O ATOM 1092 CB GLU A 90 -5.919 0.679 1.279 1.00 42.24 C ATOM 1093 CG GLU A 90 -5.912 2.139 0.793 1.00 50.03 C ATOM 1094 CD GLU A 90 -5.773 3.172 1.916 1.00 11.21 C ATOM 1095 OE1 GLU A 90 -4.623 3.473 2.301 1.00 61.33 O ATOM 1096 OE2 GLU A 90 -6.785 3.716 2.395 1.00 64.41 O ATOM 0 H GLU A 90 -8.769 0.976 0.480 1.00 31.05 H new ATOM 0 HA GLU A 90 -7.183 -0.919 1.996 1.00 73.52 H new ATOM 0 HB2 GLU A 90 -5.254 0.598 2.139 1.00 42.24 H new ATOM 0 HB3 GLU A 90 -5.501 0.051 0.492 1.00 42.24 H new ATOM 0 HG2 GLU A 90 -5.091 2.272 0.088 1.00 50.03 H new ATOM 0 HG3 GLU A 90 -6.835 2.333 0.247 1.00 50.03 H new ATOM 1103 N ARG A 91 -7.493 0.447 4.012 1.00 64.34 N ATOM 1104 CA ARG A 91 -7.810 1.110 5.242 1.00 74.51 C ATOM 1105 C ARG A 91 -6.554 1.115 6.061 1.00 34.41 C ATOM 1106 O ARG A 91 -5.812 0.123 6.031 1.00 22.23 O ATOM 1107 CB ARG A 91 -8.890 0.359 6.031 1.00 23.12 C ATOM 1108 CG ARG A 91 -9.287 1.069 7.324 1.00 1.34 C ATOM 1109 CD ARG A 91 -10.190 0.222 8.197 1.00 11.50 C ATOM 1110 NE ARG A 91 -10.584 0.940 9.417 1.00 63.43 N ATOM 1111 CZ ARG A 91 -9.974 0.850 10.616 1.00 42.12 C ATOM 1112 NH1 ARG A 91 -8.907 0.089 10.779 1.00 2.31 N ATOM 1113 NH2 ARG A 91 -10.443 1.538 11.643 1.00 31.02 N ATOM 0 H ARG A 91 -6.909 -0.380 4.137 1.00 64.34 H new ATOM 0 HA ARG A 91 -8.184 2.111 5.029 1.00 74.51 H new ATOM 0 HB2 ARG A 91 -9.773 0.239 5.403 1.00 23.12 H new ATOM 0 HB3 ARG A 91 -8.529 -0.642 6.269 1.00 23.12 H new ATOM 0 HG2 ARG A 91 -8.388 1.330 7.882 1.00 1.34 H new ATOM 0 HG3 ARG A 91 -9.794 2.003 7.081 1.00 1.34 H new ATOM 0 HD2 ARG A 91 -11.081 -0.060 7.636 1.00 11.50 H new ATOM 0 HD3 ARG A 91 -9.677 -0.701 8.466 1.00 11.50 H new ATOM 0 HE ARG A 91 -11.390 1.561 9.351 1.00 63.43 H new ATOM 0 HH11 ARG A 91 -8.533 -0.441 9.992 1.00 2.31 H new ATOM 0 HH12 ARG A 91 -8.456 0.031 11.692 1.00 2.31 H new ATOM 0 HH21 ARG A 91 -11.263 2.134 11.526 1.00 31.02 H new ATOM 0 HH22 ARG A 91 -9.985 1.473 12.552 1.00 31.02 H new ATOM 1127 N ILE A 92 -6.279 2.185 6.763 1.00 22.03 N ATOM 1128 CA ILE A 92 -5.153 2.158 7.665 1.00 53.11 C ATOM 1129 C ILE A 92 -5.546 1.372 8.911 1.00 61.45 C ATOM 1130 O ILE A 92 -6.492 1.747 9.616 1.00 73.43 O ATOM 1131 CB ILE A 92 -4.706 3.593 8.089 1.00 14.15 C ATOM 1132 CG1 ILE A 92 -4.243 4.397 6.865 1.00 32.30 C ATOM 1133 CG2 ILE A 92 -3.607 3.539 9.160 1.00 72.24 C ATOM 1134 CD1 ILE A 92 -3.737 5.793 7.189 1.00 51.32 C ATOM 0 H ILE A 92 -6.800 3.061 6.732 1.00 22.03 H new ATOM 0 HA ILE A 92 -4.316 1.688 7.149 1.00 53.11 H new ATOM 0 HB ILE A 92 -5.567 4.100 8.526 1.00 14.15 H new ATOM 0 HG12 ILE A 92 -3.451 3.844 6.360 1.00 32.30 H new ATOM 0 HG13 ILE A 92 -5.073 4.478 6.163 1.00 32.30 H new ATOM 0 HG21 ILE A 92 -3.317 4.553 9.435 1.00 72.24 H new ATOM 0 HG22 ILE A 92 -3.982 3.018 10.041 1.00 72.24 H new ATOM 0 HG23 ILE A 92 -2.741 3.008 8.766 1.00 72.24 H new ATOM 0 HD11 ILE A 92 -3.430 6.291 6.269 1.00 51.32 H new ATOM 0 HD12 ILE A 92 -4.532 6.367 7.665 1.00 51.32 H new ATOM 0 HD13 ILE A 92 -2.885 5.723 7.865 1.00 51.32 H new ATOM 1146 N GLU A 93 -4.814 0.315 9.181 1.00 62.45 N ATOM 1147 CA GLU A 93 -5.051 -0.517 10.352 1.00 31.31 C ATOM 1148 C GLU A 93 -4.077 -0.159 11.445 1.00 52.45 C ATOM 1149 O GLU A 93 -4.437 -0.049 12.609 1.00 62.35 O ATOM 1150 CB GLU A 93 -4.848 -1.983 9.998 1.00 22.32 C ATOM 1151 CG GLU A 93 -5.821 -2.542 8.995 1.00 54.33 C ATOM 1152 CD GLU A 93 -7.227 -2.552 9.509 1.00 44.42 C ATOM 1153 OE1 GLU A 93 -7.566 -3.440 10.317 1.00 32.13 O ATOM 1154 OE2 GLU A 93 -8.015 -1.699 9.111 1.00 53.23 O ATOM 0 H GLU A 93 -4.037 0.003 8.599 1.00 62.45 H new ATOM 0 HA GLU A 93 -6.074 -0.350 10.690 1.00 31.31 H new ATOM 0 HB2 GLU A 93 -3.838 -2.110 9.609 1.00 22.32 H new ATOM 0 HB3 GLU A 93 -4.914 -2.573 10.912 1.00 22.32 H new ATOM 0 HG2 GLU A 93 -5.776 -1.951 8.080 1.00 54.33 H new ATOM 0 HG3 GLU A 93 -5.525 -3.558 8.733 1.00 54.33 H new ATOM 1161 N ALA A 94 -2.850 0.047 11.053 1.00 15.00 N ATOM 1162 CA ALA A 94 -1.789 0.353 11.967 1.00 24.22 C ATOM 1163 C ALA A 94 -0.788 1.196 11.256 1.00 5.15 C ATOM 1164 O ALA A 94 -0.566 1.011 10.054 1.00 1.23 O ATOM 1165 CB ALA A 94 -1.132 -0.928 12.463 1.00 54.43 C ATOM 0 H ALA A 94 -2.557 0.006 10.077 1.00 15.00 H new ATOM 0 HA ALA A 94 -2.186 0.887 12.830 1.00 24.22 H new ATOM 0 HB1 ALA A 94 -0.328 -0.680 13.156 1.00 54.43 H new ATOM 0 HB2 ALA A 94 -1.873 -1.543 12.972 1.00 54.43 H new ATOM 0 HB3 ALA A 94 -0.723 -1.479 11.616 1.00 54.43 H new ATOM 1171 N VAL A 95 -0.208 2.120 11.960 1.00 63.33 N ATOM 1172 CA VAL A 95 0.774 2.996 11.395 1.00 75.43 C ATOM 1173 C VAL A 95 1.831 3.350 12.440 1.00 14.21 C ATOM 1174 O VAL A 95 1.522 3.841 13.533 1.00 4.41 O ATOM 1175 CB VAL A 95 0.119 4.281 10.778 1.00 63.21 C ATOM 1176 CG1 VAL A 95 -0.682 5.067 11.805 1.00 14.25 C ATOM 1177 CG2 VAL A 95 1.162 5.165 10.116 1.00 73.14 C ATOM 0 H VAL A 95 -0.403 2.289 12.947 1.00 63.33 H new ATOM 0 HA VAL A 95 1.266 2.471 10.576 1.00 75.43 H new ATOM 0 HB VAL A 95 -0.580 3.943 10.013 1.00 63.21 H new ATOM 0 HG11 VAL A 95 -1.116 5.947 11.331 1.00 14.25 H new ATOM 0 HG12 VAL A 95 -1.479 4.439 12.203 1.00 14.25 H new ATOM 0 HG13 VAL A 95 -0.026 5.379 12.617 1.00 14.25 H new ATOM 0 HG21 VAL A 95 0.678 6.048 9.698 1.00 73.14 H new ATOM 0 HG22 VAL A 95 1.901 5.473 10.856 1.00 73.14 H new ATOM 0 HG23 VAL A 95 1.656 4.610 9.319 1.00 73.14 H new ATOM 1187 N GLU A 96 3.054 3.070 12.112 1.00 51.01 N ATOM 1188 CA GLU A 96 4.172 3.350 12.975 1.00 51.20 C ATOM 1189 C GLU A 96 5.069 4.337 12.287 1.00 32.34 C ATOM 1190 O GLU A 96 5.736 3.976 11.306 1.00 72.32 O ATOM 1191 CB GLU A 96 4.981 2.100 13.218 1.00 33.00 C ATOM 1192 CG GLU A 96 4.260 0.970 13.915 1.00 62.20 C ATOM 1193 CD GLU A 96 3.893 1.306 15.339 1.00 45.44 C ATOM 1194 OE1 GLU A 96 4.811 1.417 16.183 1.00 53.34 O ATOM 1195 OE2 GLU A 96 2.690 1.449 15.646 1.00 73.30 O ATOM 0 H GLU A 96 3.313 2.635 11.227 1.00 51.01 H new ATOM 0 HA GLU A 96 3.795 3.736 13.922 1.00 51.20 H new ATOM 0 HB2 GLU A 96 5.346 1.735 12.258 1.00 33.00 H new ATOM 0 HB3 GLU A 96 5.856 2.367 13.811 1.00 33.00 H new ATOM 0 HG2 GLU A 96 3.355 0.724 13.359 1.00 62.20 H new ATOM 0 HG3 GLU A 96 4.891 0.081 13.907 1.00 62.20 H new ATOM 1202 N PRO A 97 5.104 5.584 12.750 1.00 74.02 N ATOM 1203 CA PRO A 97 5.941 6.606 12.141 1.00 50.23 C ATOM 1204 C PRO A 97 7.424 6.245 12.192 1.00 14.11 C ATOM 1205 O PRO A 97 8.116 6.307 11.193 1.00 24.42 O ATOM 1206 CB PRO A 97 5.670 7.854 13.004 1.00 50.13 C ATOM 1207 CG PRO A 97 4.354 7.592 13.642 1.00 74.12 C ATOM 1208 CD PRO A 97 4.311 6.115 13.877 1.00 1.41 C ATOM 0 HA PRO A 97 5.711 6.741 11.084 1.00 50.23 H new ATOM 0 HB2 PRO A 97 6.451 7.996 13.751 1.00 50.13 H new ATOM 0 HB3 PRO A 97 5.642 8.758 12.396 1.00 50.13 H new ATOM 0 HG2 PRO A 97 4.255 8.141 14.578 1.00 74.12 H new ATOM 0 HG3 PRO A 97 3.535 7.911 12.997 1.00 74.12 H new ATOM 0 HD2 PRO A 97 4.745 5.845 14.840 1.00 1.41 H new ATOM 0 HD3 PRO A 97 3.290 5.733 13.869 1.00 1.41 H new ATOM 1216 N ASP A 98 7.893 5.823 13.353 1.00 52.03 N ATOM 1217 CA ASP A 98 9.308 5.509 13.534 1.00 23.02 C ATOM 1218 C ASP A 98 9.700 4.159 13.039 1.00 44.15 C ATOM 1219 O ASP A 98 10.883 3.875 12.886 1.00 13.13 O ATOM 1220 CB ASP A 98 9.759 5.703 14.961 1.00 51.32 C ATOM 1221 CG ASP A 98 9.691 7.130 15.360 1.00 42.43 C ATOM 1222 OD1 ASP A 98 10.553 7.918 14.917 1.00 55.33 O ATOM 1223 OD2 ASP A 98 8.757 7.505 16.077 1.00 51.45 O ATOM 0 H ASP A 98 7.320 5.689 14.186 1.00 52.03 H new ATOM 0 HA ASP A 98 9.830 6.231 12.906 1.00 23.02 H new ATOM 0 HB2 ASP A 98 9.134 5.107 15.626 1.00 51.32 H new ATOM 0 HB3 ASP A 98 10.781 5.340 15.074 1.00 51.32 H new ATOM 1228 N LYS A 99 8.749 3.311 12.811 1.00 33.14 N ATOM 1229 CA LYS A 99 9.066 1.992 12.348 1.00 53.12 C ATOM 1230 C LYS A 99 8.894 1.880 10.859 1.00 34.15 C ATOM 1231 O LYS A 99 9.289 0.884 10.270 1.00 45.44 O ATOM 1232 CB LYS A 99 8.221 0.961 13.043 1.00 3.03 C ATOM 1233 CG LYS A 99 8.394 0.940 14.541 1.00 3.14 C ATOM 1234 CD LYS A 99 7.575 -0.159 15.122 1.00 72.41 C ATOM 1235 CE LYS A 99 7.677 -0.217 16.624 1.00 43.10 C ATOM 1236 NZ LYS A 99 6.750 -1.220 17.193 1.00 20.53 N ATOM 0 H LYS A 99 7.755 3.502 12.935 1.00 33.14 H new ATOM 0 HA LYS A 99 10.113 1.806 12.587 1.00 53.12 H new ATOM 0 HB2 LYS A 99 7.173 1.148 12.810 1.00 3.03 H new ATOM 0 HB3 LYS A 99 8.465 -0.024 12.645 1.00 3.03 H new ATOM 0 HG2 LYS A 99 9.445 0.797 14.794 1.00 3.14 H new ATOM 0 HG3 LYS A 99 8.091 1.897 14.966 1.00 3.14 H new ATOM 0 HD2 LYS A 99 6.532 -0.022 14.836 1.00 72.41 H new ATOM 0 HD3 LYS A 99 7.898 -1.111 14.701 1.00 72.41 H new ATOM 0 HE2 LYS A 99 8.700 -0.461 16.911 1.00 43.10 H new ATOM 0 HE3 LYS A 99 7.454 0.764 17.043 1.00 43.10 H new ATOM 0 HZ1 LYS A 99 6.846 -1.234 18.228 1.00 20.53 H new ATOM 0 HZ2 LYS A 99 5.772 -0.972 16.939 1.00 20.53 H new ATOM 0 HZ3 LYS A 99 6.979 -2.160 16.812 1.00 20.53 H new ATOM 1250 N ASN A 100 8.302 2.918 10.248 1.00 25.22 N ATOM 1251 CA ASN A 100 8.017 2.933 8.799 1.00 21.33 C ATOM 1252 C ASN A 100 7.097 1.788 8.457 1.00 34.23 C ATOM 1253 O ASN A 100 7.256 1.127 7.428 1.00 70.45 O ATOM 1254 CB ASN A 100 9.306 2.844 7.958 1.00 4.42 C ATOM 1255 CG ASN A 100 10.222 4.032 8.131 1.00 3.44 C ATOM 1256 OD1 ASN A 100 9.784 5.141 8.404 1.00 22.01 O ATOM 1257 ND2 ASN A 100 11.495 3.809 7.968 1.00 3.13 N ATOM 0 H ASN A 100 8.009 3.764 10.736 1.00 25.22 H new ATOM 0 HA ASN A 100 7.536 3.882 8.559 1.00 21.33 H new ATOM 0 HB2 ASN A 100 9.846 1.937 8.230 1.00 4.42 H new ATOM 0 HB3 ASN A 100 9.038 2.752 6.905 1.00 4.42 H new ATOM 0 HD21 ASN A 100 12.163 4.573 8.068 1.00 3.13 H new ATOM 0 HD22 ASN A 100 11.823 2.870 7.741 1.00 3.13 H new ATOM 1264 N LEU A 101 6.092 1.613 9.281 1.00 35.31 N ATOM 1265 CA LEU A 101 5.191 0.494 9.167 1.00 5.10 C ATOM 1266 C LEU A 101 3.797 0.995 8.905 1.00 30.41 C ATOM 1267 O LEU A 101 3.338 1.946 9.555 1.00 12.53 O ATOM 1268 CB LEU A 101 5.168 -0.285 10.482 1.00 1.11 C ATOM 1269 CG LEU A 101 4.306 -1.538 10.501 1.00 3.54 C ATOM 1270 CD1 LEU A 101 4.896 -2.597 9.627 1.00 21.22 C ATOM 1271 CD2 LEU A 101 4.082 -2.042 11.912 1.00 41.23 C ATOM 0 H LEU A 101 5.876 2.245 10.052 1.00 35.31 H new ATOM 0 HA LEU A 101 5.528 -0.145 8.351 1.00 5.10 H new ATOM 0 HB2 LEU A 101 6.191 -0.568 10.731 1.00 1.11 H new ATOM 0 HB3 LEU A 101 4.821 0.383 11.271 1.00 1.11 H new ATOM 0 HG LEU A 101 3.327 -1.276 10.099 1.00 3.54 H new ATOM 0 HD11 LEU A 101 4.264 -3.485 9.654 1.00 21.22 H new ATOM 0 HD12 LEU A 101 4.961 -2.229 8.603 1.00 21.22 H new ATOM 0 HD13 LEU A 101 5.894 -2.850 9.985 1.00 21.22 H new ATOM 0 HD21 LEU A 101 3.462 -2.938 11.884 1.00 41.23 H new ATOM 0 HD22 LEU A 101 5.042 -2.279 12.370 1.00 41.23 H new ATOM 0 HD23 LEU A 101 3.581 -1.272 12.498 1.00 41.23 H new ATOM 1283 N ILE A 102 3.139 0.373 7.968 1.00 31.53 N ATOM 1284 CA ILE A 102 1.784 0.702 7.650 1.00 50.11 C ATOM 1285 C ILE A 102 1.020 -0.555 7.209 1.00 51.01 C ATOM 1286 O ILE A 102 1.421 -1.265 6.276 1.00 52.20 O ATOM 1287 CB ILE A 102 1.709 1.839 6.575 1.00 61.11 C ATOM 1288 CG1 ILE A 102 0.270 2.149 6.137 1.00 33.52 C ATOM 1289 CG2 ILE A 102 2.605 1.560 5.383 1.00 44.21 C ATOM 1290 CD1 ILE A 102 -0.609 2.689 7.239 1.00 70.03 C ATOM 0 H ILE A 102 3.532 -0.379 7.402 1.00 31.53 H new ATOM 0 HA ILE A 102 1.303 1.088 8.549 1.00 50.11 H new ATOM 0 HB ILE A 102 2.088 2.737 7.063 1.00 61.11 H new ATOM 0 HG12 ILE A 102 0.298 2.873 5.322 1.00 33.52 H new ATOM 0 HG13 ILE A 102 -0.181 1.239 5.740 1.00 33.52 H new ATOM 0 HG21 ILE A 102 2.519 2.375 4.665 1.00 44.21 H new ATOM 0 HG22 ILE A 102 3.639 1.477 5.717 1.00 44.21 H new ATOM 0 HG23 ILE A 102 2.301 0.626 4.910 1.00 44.21 H new ATOM 0 HD11 ILE A 102 -1.608 2.881 6.847 1.00 70.03 H new ATOM 0 HD12 ILE A 102 -0.671 1.959 8.046 1.00 70.03 H new ATOM 0 HD13 ILE A 102 -0.184 3.617 7.621 1.00 70.03 H new ATOM 1302 N THR A 103 -0.037 -0.833 7.919 1.00 60.00 N ATOM 1303 CA THR A 103 -0.897 -1.966 7.641 1.00 52.10 C ATOM 1304 C THR A 103 -2.155 -1.526 6.858 1.00 35.40 C ATOM 1305 O THR A 103 -2.854 -0.586 7.267 1.00 3.44 O ATOM 1306 CB THR A 103 -1.328 -2.631 8.969 1.00 41.24 C ATOM 1307 OG1 THR A 103 -0.166 -2.987 9.723 1.00 62.41 O ATOM 1308 CG2 THR A 103 -2.157 -3.880 8.717 1.00 63.24 C ATOM 0 H THR A 103 -0.336 -0.276 8.720 1.00 60.00 H new ATOM 0 HA THR A 103 -0.339 -2.678 7.033 1.00 52.10 H new ATOM 0 HB THR A 103 -1.937 -1.917 9.524 1.00 41.24 H new ATOM 0 HG1 THR A 103 -0.439 -3.407 10.565 1.00 62.41 H new ATOM 0 HG21 THR A 103 -2.444 -4.324 9.670 1.00 63.24 H new ATOM 0 HG22 THR A 103 -3.053 -3.615 8.155 1.00 63.24 H new ATOM 0 HG23 THR A 103 -1.569 -4.598 8.145 1.00 63.24 H new ATOM 1316 N PHE A 104 -2.424 -2.220 5.753 1.00 42.40 N ATOM 1317 CA PHE A 104 -3.567 -1.961 4.879 1.00 12.20 C ATOM 1318 C PHE A 104 -4.558 -3.127 4.985 1.00 33.03 C ATOM 1319 O PHE A 104 -4.158 -4.274 5.213 1.00 45.40 O ATOM 1320 CB PHE A 104 -3.108 -1.844 3.414 1.00 2.02 C ATOM 1321 CG PHE A 104 -2.104 -0.768 3.146 1.00 70.30 C ATOM 1322 CD1 PHE A 104 -2.479 0.565 3.115 1.00 62.03 C ATOM 1323 CD2 PHE A 104 -0.785 -1.095 2.906 1.00 71.12 C ATOM 1324 CE1 PHE A 104 -1.548 1.549 2.848 1.00 41.44 C ATOM 1325 CE2 PHE A 104 0.143 -0.121 2.642 1.00 42.32 C ATOM 1326 CZ PHE A 104 -0.234 1.202 2.611 1.00 2.33 C ATOM 0 H PHE A 104 -1.841 -2.994 5.434 1.00 42.40 H new ATOM 0 HA PHE A 104 -4.037 -1.027 5.187 1.00 12.20 H new ATOM 0 HB2 PHE A 104 -2.684 -2.800 3.105 1.00 2.02 H new ATOM 0 HB3 PHE A 104 -3.983 -1.666 2.789 1.00 2.02 H new ATOM 0 HD1 PHE A 104 -3.508 0.837 3.301 1.00 62.03 H new ATOM 0 HD2 PHE A 104 -0.480 -2.131 2.926 1.00 71.12 H new ATOM 0 HE1 PHE A 104 -1.847 2.586 2.825 1.00 41.44 H new ATOM 0 HE2 PHE A 104 1.172 -0.393 2.458 1.00 42.32 H new ATOM 0 HZ PHE A 104 0.498 1.968 2.401 1.00 2.33 H new ATOM 1336 N ARG A 105 -5.825 -2.836 4.815 1.00 24.45 N ATOM 1337 CA ARG A 105 -6.885 -3.837 4.890 1.00 13.15 C ATOM 1338 C ARG A 105 -7.837 -3.676 3.717 1.00 54.21 C ATOM 1339 O ARG A 105 -8.099 -2.554 3.285 1.00 11.20 O ATOM 1340 CB ARG A 105 -7.679 -3.630 6.178 1.00 13.34 C ATOM 1341 CG ARG A 105 -8.862 -4.569 6.374 1.00 54.11 C ATOM 1342 CD ARG A 105 -9.669 -4.146 7.578 1.00 44.21 C ATOM 1343 NE ARG A 105 -10.839 -4.994 7.822 1.00 50.53 N ATOM 1344 CZ ARG A 105 -11.847 -4.665 8.640 1.00 73.11 C ATOM 1345 NH1 ARG A 105 -11.801 -3.520 9.326 1.00 23.54 N ATOM 1346 NH2 ARG A 105 -12.876 -5.484 8.796 1.00 4.13 N ATOM 0 H ARG A 105 -6.162 -1.893 4.619 1.00 24.45 H new ATOM 0 HA ARG A 105 -6.435 -4.830 4.869 1.00 13.15 H new ATOM 0 HB2 ARG A 105 -7.002 -3.744 7.025 1.00 13.34 H new ATOM 0 HB3 ARG A 105 -8.044 -2.603 6.199 1.00 13.34 H new ATOM 0 HG2 ARG A 105 -9.492 -4.563 5.484 1.00 54.11 H new ATOM 0 HG3 ARG A 105 -8.507 -5.591 6.506 1.00 54.11 H new ATOM 0 HD2 ARG A 105 -9.028 -4.162 8.459 1.00 44.21 H new ATOM 0 HD3 ARG A 105 -9.998 -3.116 7.442 1.00 44.21 H new ATOM 0 HE ARG A 105 -10.889 -5.891 7.339 1.00 50.53 H new ATOM 0 HH11 ARG A 105 -10.999 -2.898 9.226 1.00 23.54 H new ATOM 0 HH12 ARG A 105 -12.568 -3.268 9.949 1.00 23.54 H new ATOM 0 HH21 ARG A 105 -12.903 -6.370 8.292 1.00 4.13 H new ATOM 0 HH22 ARG A 105 -13.641 -5.229 9.420 1.00 4.13 H new ATOM 1360 N VAL A 106 -8.355 -4.780 3.209 1.00 52.12 N ATOM 1361 CA VAL A 106 -9.354 -4.728 2.171 1.00 42.15 C ATOM 1362 C VAL A 106 -10.729 -4.397 2.802 1.00 2.53 C ATOM 1363 O VAL A 106 -11.162 -5.042 3.756 1.00 43.32 O ATOM 1364 CB VAL A 106 -9.419 -6.071 1.383 1.00 4.13 C ATOM 1365 CG1 VAL A 106 -9.695 -7.228 2.316 1.00 65.22 C ATOM 1366 CG2 VAL A 106 -10.467 -6.006 0.277 1.00 41.35 C ATOM 0 H VAL A 106 -8.096 -5.722 3.503 1.00 52.12 H new ATOM 0 HA VAL A 106 -9.084 -3.947 1.461 1.00 42.15 H new ATOM 0 HB VAL A 106 -8.447 -6.234 0.917 1.00 4.13 H new ATOM 0 HG11 VAL A 106 -9.736 -8.155 1.744 1.00 65.22 H new ATOM 0 HG12 VAL A 106 -8.900 -7.295 3.058 1.00 65.22 H new ATOM 0 HG13 VAL A 106 -10.649 -7.070 2.819 1.00 65.22 H new ATOM 0 HG21 VAL A 106 -10.492 -6.956 -0.257 1.00 41.35 H new ATOM 0 HG22 VAL A 106 -11.446 -5.810 0.714 1.00 41.35 H new ATOM 0 HG23 VAL A 106 -10.213 -5.205 -0.418 1.00 41.35 H new ATOM 1376 N ILE A 107 -11.387 -3.379 2.299 1.00 60.12 N ATOM 1377 CA ILE A 107 -12.692 -2.997 2.850 1.00 5.40 C ATOM 1378 C ILE A 107 -13.815 -3.134 1.828 1.00 45.04 C ATOM 1379 O ILE A 107 -14.965 -3.327 2.187 1.00 63.52 O ATOM 1380 CB ILE A 107 -12.727 -1.542 3.453 1.00 24.22 C ATOM 1381 CG1 ILE A 107 -12.553 -0.431 2.378 1.00 32.32 C ATOM 1382 CG2 ILE A 107 -11.663 -1.383 4.527 1.00 13.41 C ATOM 1383 CD1 ILE A 107 -11.195 -0.376 1.716 1.00 51.40 C ATOM 0 H ILE A 107 -11.059 -2.802 1.524 1.00 60.12 H new ATOM 0 HA ILE A 107 -12.853 -3.702 3.666 1.00 5.40 H new ATOM 0 HB ILE A 107 -13.718 -1.417 3.889 1.00 24.22 H new ATOM 0 HG12 ILE A 107 -13.309 -0.574 1.606 1.00 32.32 H new ATOM 0 HG13 ILE A 107 -12.751 0.535 2.843 1.00 32.32 H new ATOM 0 HG21 ILE A 107 -11.703 -0.372 4.932 1.00 13.41 H new ATOM 0 HG22 ILE A 107 -11.843 -2.101 5.327 1.00 13.41 H new ATOM 0 HG23 ILE A 107 -10.679 -1.562 4.094 1.00 13.41 H new ATOM 0 HD11 ILE A 107 -11.179 0.432 0.984 1.00 51.40 H new ATOM 0 HD12 ILE A 107 -10.429 -0.197 2.471 1.00 51.40 H new ATOM 0 HD13 ILE A 107 -10.996 -1.323 1.215 1.00 51.40 H new ATOM 1395 N GLU A 108 -13.469 -3.068 0.553 1.00 63.40 N ATOM 1396 CA GLU A 108 -14.477 -3.081 -0.496 1.00 15.31 C ATOM 1397 C GLU A 108 -15.083 -4.476 -0.726 1.00 23.12 C ATOM 1398 O GLU A 108 -16.152 -4.777 -0.214 1.00 3.41 O ATOM 1399 CB GLU A 108 -13.928 -2.498 -1.788 1.00 33.02 C ATOM 1400 CG GLU A 108 -14.958 -2.351 -2.887 1.00 74.12 C ATOM 1401 CD GLU A 108 -16.101 -1.467 -2.467 1.00 41.15 C ATOM 1402 OE1 GLU A 108 -15.955 -0.245 -2.513 1.00 23.14 O ATOM 1403 OE2 GLU A 108 -17.170 -1.998 -2.084 1.00 1.33 O ATOM 0 H GLU A 108 -12.507 -3.005 0.220 1.00 63.40 H new ATOM 0 HA GLU A 108 -15.293 -2.445 -0.152 1.00 15.31 H new ATOM 0 HB2 GLU A 108 -13.495 -1.520 -1.577 1.00 33.02 H new ATOM 0 HB3 GLU A 108 -13.119 -3.134 -2.146 1.00 33.02 H new ATOM 0 HG2 GLU A 108 -14.484 -1.935 -3.776 1.00 74.12 H new ATOM 0 HG3 GLU A 108 -15.341 -3.334 -3.161 1.00 74.12 H new ATOM 1410 N GLY A 109 -14.389 -5.332 -1.468 1.00 65.12 N ATOM 1411 CA GLY A 109 -14.953 -6.639 -1.733 1.00 3.45 C ATOM 1412 C GLY A 109 -14.298 -7.373 -2.885 1.00 32.54 C ATOM 1413 O GLY A 109 -14.303 -8.586 -2.908 1.00 53.42 O ATOM 0 H GLY A 109 -13.473 -5.152 -1.879 1.00 65.12 H new ATOM 0 HA2 GLY A 109 -14.869 -7.248 -0.833 1.00 3.45 H new ATOM 0 HA3 GLY A 109 -16.016 -6.528 -1.945 1.00 3.45 H new ATOM 1417 N ASP A 110 -13.727 -6.626 -3.834 1.00 31.04 N ATOM 1418 CA ASP A 110 -13.038 -7.213 -5.030 1.00 42.53 C ATOM 1419 C ASP A 110 -12.055 -8.345 -4.662 1.00 24.34 C ATOM 1420 O ASP A 110 -12.104 -9.432 -5.230 1.00 25.30 O ATOM 1421 CB ASP A 110 -12.308 -6.099 -5.806 1.00 50.42 C ATOM 1422 CG ASP A 110 -11.428 -6.606 -6.948 1.00 0.25 C ATOM 1423 OD1 ASP A 110 -11.941 -6.846 -8.068 1.00 1.00 O ATOM 1424 OD2 ASP A 110 -10.209 -6.746 -6.735 1.00 74.02 O ATOM 0 H ASP A 110 -13.718 -5.606 -3.814 1.00 31.04 H new ATOM 0 HA ASP A 110 -13.807 -7.663 -5.659 1.00 42.53 H new ATOM 0 HB2 ASP A 110 -13.048 -5.409 -6.211 1.00 50.42 H new ATOM 0 HB3 ASP A 110 -11.690 -5.532 -5.110 1.00 50.42 H new ATOM 1429 N LEU A 111 -11.203 -8.099 -3.690 1.00 41.51 N ATOM 1430 CA LEU A 111 -10.231 -9.103 -3.253 1.00 63.22 C ATOM 1431 C LEU A 111 -10.905 -10.212 -2.438 1.00 2.21 C ATOM 1432 O LEU A 111 -10.415 -11.337 -2.367 1.00 62.32 O ATOM 1433 CB LEU A 111 -9.088 -8.451 -2.467 1.00 74.05 C ATOM 1434 CG LEU A 111 -8.272 -7.397 -3.232 1.00 12.30 C ATOM 1435 CD1 LEU A 111 -7.211 -6.788 -2.335 1.00 12.41 C ATOM 1436 CD2 LEU A 111 -7.630 -8.000 -4.477 1.00 62.14 C ATOM 0 H LEU A 111 -11.156 -7.216 -3.182 1.00 41.51 H new ATOM 0 HA LEU A 111 -9.804 -9.565 -4.143 1.00 63.22 H new ATOM 0 HB2 LEU A 111 -9.505 -7.984 -1.575 1.00 74.05 H new ATOM 0 HB3 LEU A 111 -8.410 -9.235 -2.130 1.00 74.05 H new ATOM 0 HG LEU A 111 -8.955 -6.609 -3.548 1.00 12.30 H new ATOM 0 HD11 LEU A 111 -6.644 -6.044 -2.895 1.00 12.41 H new ATOM 0 HD12 LEU A 111 -7.688 -6.311 -1.479 1.00 12.41 H new ATOM 0 HD13 LEU A 111 -6.537 -7.570 -1.986 1.00 12.41 H new ATOM 0 HD21 LEU A 111 -7.059 -7.233 -5.000 1.00 62.14 H new ATOM 0 HD22 LEU A 111 -6.965 -8.813 -4.186 1.00 62.14 H new ATOM 0 HD23 LEU A 111 -8.407 -8.386 -5.137 1.00 62.14 H new ATOM 1448 N MET A 112 -12.052 -9.888 -1.852 1.00 51.54 N ATOM 1449 CA MET A 112 -12.800 -10.824 -1.005 1.00 41.30 C ATOM 1450 C MET A 112 -13.506 -11.886 -1.844 1.00 71.24 C ATOM 1451 O MET A 112 -14.093 -12.821 -1.316 1.00 45.33 O ATOM 1452 CB MET A 112 -13.832 -10.095 -0.133 1.00 50.34 C ATOM 1453 CG MET A 112 -13.304 -9.042 0.859 1.00 54.24 C ATOM 1454 SD MET A 112 -12.385 -9.674 2.311 1.00 22.31 S ATOM 1455 CE MET A 112 -10.891 -10.363 1.613 1.00 74.42 C ATOM 0 H MET A 112 -12.493 -8.973 -1.947 1.00 51.54 H new ATOM 0 HA MET A 112 -12.073 -11.309 -0.354 1.00 41.30 H new ATOM 0 HB2 MET A 112 -14.547 -9.606 -0.795 1.00 50.34 H new ATOM 0 HB3 MET A 112 -14.384 -10.845 0.434 1.00 50.34 H new ATOM 0 HG2 MET A 112 -12.653 -8.357 0.315 1.00 54.24 H new ATOM 0 HG3 MET A 112 -14.151 -8.458 1.219 1.00 54.24 H new ATOM 0 HE1 MET A 112 -10.042 -10.107 2.247 1.00 74.42 H new ATOM 0 HE2 MET A 112 -10.985 -11.447 1.551 1.00 74.42 H new ATOM 0 HE3 MET A 112 -10.734 -9.955 0.614 1.00 74.42 H new ATOM 1465 N LYS A 113 -13.457 -11.725 -3.152 1.00 73.40 N ATOM 1466 CA LYS A 113 -14.053 -12.686 -4.068 1.00 70.11 C ATOM 1467 C LYS A 113 -13.074 -13.815 -4.343 1.00 71.31 C ATOM 1468 O LYS A 113 -13.417 -14.816 -4.965 1.00 74.33 O ATOM 1469 CB LYS A 113 -14.432 -11.998 -5.376 1.00 25.34 C ATOM 1470 CG LYS A 113 -15.393 -10.791 -5.270 1.00 31.22 C ATOM 1471 CD LYS A 113 -16.839 -11.138 -4.843 1.00 1.11 C ATOM 1472 CE LYS A 113 -17.010 -11.527 -3.370 1.00 42.52 C ATOM 1473 NZ LYS A 113 -18.430 -11.779 -3.028 1.00 43.22 N ATOM 0 H LYS A 113 -13.007 -10.932 -3.610 1.00 73.40 H new ATOM 0 HA LYS A 113 -14.953 -13.097 -3.611 1.00 70.11 H new ATOM 0 HB2 LYS A 113 -13.516 -11.663 -5.862 1.00 25.34 H new ATOM 0 HB3 LYS A 113 -14.888 -12.740 -6.032 1.00 25.34 H new ATOM 0 HG2 LYS A 113 -14.980 -10.080 -4.554 1.00 31.22 H new ATOM 0 HG3 LYS A 113 -15.427 -10.288 -6.236 1.00 31.22 H new ATOM 0 HD2 LYS A 113 -17.478 -10.280 -5.052 1.00 1.11 H new ATOM 0 HD3 LYS A 113 -17.196 -11.960 -5.463 1.00 1.11 H new ATOM 0 HE2 LYS A 113 -16.422 -12.420 -3.159 1.00 42.52 H new ATOM 0 HE3 LYS A 113 -16.619 -10.731 -2.736 1.00 42.52 H new ATOM 0 HZ1 LYS A 113 -18.504 -12.039 -2.024 1.00 43.22 H new ATOM 0 HZ2 LYS A 113 -18.988 -10.919 -3.205 1.00 43.22 H new ATOM 0 HZ3 LYS A 113 -18.796 -12.556 -3.615 1.00 43.22 H new ATOM 1487 N GLU A 114 -11.862 -13.639 -3.884 1.00 0.03 N ATOM 1488 CA GLU A 114 -10.820 -14.632 -4.071 1.00 12.04 C ATOM 1489 C GLU A 114 -10.235 -15.073 -2.727 1.00 61.30 C ATOM 1490 O GLU A 114 -9.821 -16.229 -2.549 1.00 34.43 O ATOM 1491 CB GLU A 114 -9.745 -14.099 -5.031 1.00 0.21 C ATOM 1492 CG GLU A 114 -10.318 -13.794 -6.407 1.00 45.32 C ATOM 1493 CD GLU A 114 -9.318 -13.317 -7.418 1.00 64.44 C ATOM 1494 OE1 GLU A 114 -8.736 -14.164 -8.129 1.00 30.33 O ATOM 1495 OE2 GLU A 114 -9.130 -12.089 -7.559 1.00 64.44 O ATOM 0 H GLU A 114 -11.564 -12.809 -3.371 1.00 0.03 H new ATOM 0 HA GLU A 114 -11.255 -15.521 -4.528 1.00 12.04 H new ATOM 0 HB2 GLU A 114 -9.301 -13.195 -4.614 1.00 0.21 H new ATOM 0 HB3 GLU A 114 -8.945 -14.833 -5.125 1.00 0.21 H new ATOM 0 HG2 GLU A 114 -10.800 -14.693 -6.791 1.00 45.32 H new ATOM 0 HG3 GLU A 114 -11.095 -13.037 -6.301 1.00 45.32 H new ATOM 1502 N TYR A 115 -10.226 -14.165 -1.782 1.00 11.14 N ATOM 1503 CA TYR A 115 -9.747 -14.441 -0.451 1.00 63.23 C ATOM 1504 C TYR A 115 -10.844 -14.082 0.490 1.00 30.34 C ATOM 1505 O TYR A 115 -11.550 -13.135 0.251 1.00 12.41 O ATOM 1506 CB TYR A 115 -8.519 -13.582 -0.144 1.00 41.53 C ATOM 1507 CG TYR A 115 -7.461 -13.702 -1.190 1.00 60.41 C ATOM 1508 CD1 TYR A 115 -6.555 -14.746 -1.179 1.00 12.35 C ATOM 1509 CD2 TYR A 115 -7.398 -12.787 -2.229 1.00 11.33 C ATOM 1510 CE1 TYR A 115 -5.615 -14.864 -2.163 1.00 63.54 C ATOM 1511 CE2 TYR A 115 -6.467 -12.911 -3.218 1.00 70.20 C ATOM 1512 CZ TYR A 115 -5.578 -13.950 -3.177 1.00 22.24 C ATOM 1513 OH TYR A 115 -4.664 -14.087 -4.155 1.00 54.10 O ATOM 0 H TYR A 115 -10.553 -13.208 -1.916 1.00 11.14 H new ATOM 0 HA TYR A 115 -9.466 -15.490 -0.355 1.00 63.23 H new ATOM 0 HB2 TYR A 115 -8.822 -12.539 -0.057 1.00 41.53 H new ATOM 0 HB3 TYR A 115 -8.106 -13.876 0.821 1.00 41.53 H new ATOM 0 HD1 TYR A 115 -6.591 -15.476 -0.384 1.00 12.35 H new ATOM 0 HD2 TYR A 115 -8.096 -11.964 -2.256 1.00 11.33 H new ATOM 0 HE1 TYR A 115 -4.904 -15.677 -2.139 1.00 63.54 H new ATOM 0 HE2 TYR A 115 -6.432 -12.195 -4.026 1.00 70.20 H new ATOM 0 HH TYR A 115 -4.892 -13.494 -4.901 1.00 54.10 H new ATOM 1523 N LYS A 116 -11.005 -14.812 1.544 1.00 0.13 N ATOM 1524 CA LYS A 116 -12.077 -14.504 2.463 1.00 41.34 C ATOM 1525 C LYS A 116 -11.641 -13.549 3.560 1.00 71.21 C ATOM 1526 O LYS A 116 -12.430 -13.149 4.414 1.00 4.15 O ATOM 1527 CB LYS A 116 -12.803 -15.756 2.949 1.00 14.00 C ATOM 1528 CG LYS A 116 -11.924 -16.839 3.521 1.00 3.33 C ATOM 1529 CD LYS A 116 -12.724 -18.111 3.775 1.00 24.33 C ATOM 1530 CE LYS A 116 -13.846 -17.900 4.786 1.00 52.24 C ATOM 1531 NZ LYS A 116 -14.631 -19.138 5.006 1.00 21.33 N ATOM 0 H LYS A 116 -10.426 -15.613 1.797 1.00 0.13 H new ATOM 0 HA LYS A 116 -12.835 -13.950 1.909 1.00 41.34 H new ATOM 0 HB2 LYS A 116 -13.527 -15.462 3.709 1.00 14.00 H new ATOM 0 HB3 LYS A 116 -13.367 -16.174 2.115 1.00 14.00 H new ATOM 0 HG2 LYS A 116 -11.106 -17.051 2.832 1.00 3.33 H new ATOM 0 HG3 LYS A 116 -11.475 -16.495 4.453 1.00 3.33 H new ATOM 0 HD2 LYS A 116 -13.147 -18.464 2.835 1.00 24.33 H new ATOM 0 HD3 LYS A 116 -12.055 -18.892 4.137 1.00 24.33 H new ATOM 0 HE2 LYS A 116 -13.423 -17.565 5.733 1.00 52.24 H new ATOM 0 HE3 LYS A 116 -14.507 -17.108 4.434 1.00 52.24 H new ATOM 0 HZ1 LYS A 116 -15.384 -18.953 5.699 1.00 21.33 H new ATOM 0 HZ2 LYS A 116 -15.056 -19.444 4.107 1.00 21.33 H new ATOM 0 HZ3 LYS A 116 -14.005 -19.887 5.366 1.00 21.33 H new ATOM 1545 N SER A 117 -10.385 -13.180 3.500 1.00 10.13 N ATOM 1546 CA SER A 117 -9.797 -12.139 4.311 1.00 20.45 C ATOM 1547 C SER A 117 -8.454 -11.784 3.705 1.00 52.13 C ATOM 1548 O SER A 117 -7.795 -12.661 3.135 1.00 32.33 O ATOM 1549 CB SER A 117 -9.665 -12.558 5.771 1.00 13.34 C ATOM 1550 OG SER A 117 -8.862 -13.712 5.921 1.00 21.05 O ATOM 0 H SER A 117 -9.718 -13.612 2.861 1.00 10.13 H new ATOM 0 HA SER A 117 -10.447 -11.264 4.315 1.00 20.45 H new ATOM 0 HB2 SER A 117 -9.233 -11.739 6.346 1.00 13.34 H new ATOM 0 HB3 SER A 117 -10.655 -12.749 6.184 1.00 13.34 H new ATOM 0 HG SER A 117 -8.801 -13.947 6.870 1.00 21.05 H new ATOM 1556 N PHE A 118 -8.072 -10.522 3.765 1.00 44.14 N ATOM 1557 CA PHE A 118 -6.821 -10.074 3.187 1.00 23.41 C ATOM 1558 C PHE A 118 -6.291 -8.871 3.953 1.00 74.23 C ATOM 1559 O PHE A 118 -6.923 -7.808 3.993 1.00 51.35 O ATOM 1560 CB PHE A 118 -7.002 -9.745 1.683 1.00 24.11 C ATOM 1561 CG PHE A 118 -5.761 -9.261 0.977 1.00 11.34 C ATOM 1562 CD1 PHE A 118 -4.791 -10.156 0.568 1.00 53.13 C ATOM 1563 CD2 PHE A 118 -5.571 -7.915 0.720 1.00 11.42 C ATOM 1564 CE1 PHE A 118 -3.657 -9.722 -0.079 1.00 25.41 C ATOM 1565 CE2 PHE A 118 -4.436 -7.476 0.070 1.00 41.41 C ATOM 1566 CZ PHE A 118 -3.478 -8.380 -0.328 1.00 12.22 C ATOM 0 H PHE A 118 -8.616 -9.784 4.212 1.00 44.14 H new ATOM 0 HA PHE A 118 -6.089 -10.878 3.266 1.00 23.41 H new ATOM 0 HB2 PHE A 118 -7.365 -10.638 1.174 1.00 24.11 H new ATOM 0 HB3 PHE A 118 -7.776 -8.984 1.585 1.00 24.11 H new ATOM 0 HD1 PHE A 118 -4.925 -11.211 0.759 1.00 53.13 H new ATOM 0 HD2 PHE A 118 -6.319 -7.201 1.031 1.00 11.42 H new ATOM 0 HE1 PHE A 118 -2.907 -10.434 -0.391 1.00 25.41 H new ATOM 0 HE2 PHE A 118 -4.299 -6.423 -0.126 1.00 41.41 H new ATOM 0 HZ PHE A 118 -2.588 -8.037 -0.835 1.00 12.22 H new ATOM 1576 N LEU A 119 -5.155 -9.048 4.560 1.00 41.22 N ATOM 1577 CA LEU A 119 -4.519 -8.014 5.332 1.00 22.42 C ATOM 1578 C LEU A 119 -3.051 -7.952 4.929 1.00 24.41 C ATOM 1579 O LEU A 119 -2.367 -8.980 4.911 1.00 63.11 O ATOM 1580 CB LEU A 119 -4.639 -8.365 6.822 1.00 44.42 C ATOM 1581 CG LEU A 119 -4.084 -7.350 7.819 1.00 73.15 C ATOM 1582 CD1 LEU A 119 -4.863 -6.053 7.752 1.00 32.43 C ATOM 1583 CD2 LEU A 119 -4.105 -7.918 9.225 1.00 41.32 C ATOM 0 H LEU A 119 -4.635 -9.925 4.534 1.00 41.22 H new ATOM 0 HA LEU A 119 -4.991 -7.048 5.152 1.00 22.42 H new ATOM 0 HB2 LEU A 119 -5.693 -8.522 7.049 1.00 44.42 H new ATOM 0 HB3 LEU A 119 -4.132 -9.316 6.988 1.00 44.42 H new ATOM 0 HG LEU A 119 -3.049 -7.138 7.552 1.00 73.15 H new ATOM 0 HD11 LEU A 119 -4.451 -5.344 8.470 1.00 32.43 H new ATOM 0 HD12 LEU A 119 -4.790 -5.636 6.748 1.00 32.43 H new ATOM 0 HD13 LEU A 119 -5.909 -6.244 7.990 1.00 32.43 H new ATOM 0 HD21 LEU A 119 -3.706 -7.181 9.921 1.00 41.32 H new ATOM 0 HD22 LEU A 119 -5.130 -8.162 9.503 1.00 41.32 H new ATOM 0 HD23 LEU A 119 -3.494 -8.820 9.262 1.00 41.32 H new ATOM 1595 N LEU A 120 -2.557 -6.781 4.617 1.00 14.31 N ATOM 1596 CA LEU A 120 -1.177 -6.653 4.200 1.00 3.51 C ATOM 1597 C LEU A 120 -0.511 -5.514 4.918 1.00 13.14 C ATOM 1598 O LEU A 120 -1.107 -4.471 5.129 1.00 2.22 O ATOM 1599 CB LEU A 120 -1.002 -6.491 2.664 1.00 53.35 C ATOM 1600 CG LEU A 120 -1.526 -5.198 1.994 1.00 32.20 C ATOM 1601 CD1 LEU A 120 -1.106 -5.164 0.538 1.00 60.31 C ATOM 1602 CD2 LEU A 120 -3.038 -5.085 2.090 1.00 71.21 C ATOM 0 H LEU A 120 -3.082 -5.907 4.642 1.00 14.31 H new ATOM 0 HA LEU A 120 -0.694 -7.592 4.470 1.00 3.51 H new ATOM 0 HB2 LEU A 120 0.062 -6.572 2.441 1.00 53.35 H new ATOM 0 HB3 LEU A 120 -1.494 -7.336 2.183 1.00 53.35 H new ATOM 0 HG LEU A 120 -1.091 -4.352 2.526 1.00 32.20 H new ATOM 0 HD11 LEU A 120 -1.478 -4.251 0.073 1.00 60.31 H new ATOM 0 HD12 LEU A 120 -0.018 -5.187 0.472 1.00 60.31 H new ATOM 0 HD13 LEU A 120 -1.519 -6.030 0.020 1.00 60.31 H new ATOM 0 HD21 LEU A 120 -3.365 -4.164 1.608 1.00 71.21 H new ATOM 0 HD22 LEU A 120 -3.499 -5.938 1.593 1.00 71.21 H new ATOM 0 HD23 LEU A 120 -3.336 -5.071 3.138 1.00 71.21 H new ATOM 1614 N THR A 121 0.691 -5.721 5.308 1.00 1.41 N ATOM 1615 CA THR A 121 1.438 -4.729 5.998 1.00 14.13 C ATOM 1616 C THR A 121 2.766 -4.505 5.288 1.00 54.21 C ATOM 1617 O THR A 121 3.411 -5.465 4.870 1.00 42.12 O ATOM 1618 CB THR A 121 1.704 -5.191 7.436 1.00 65.22 C ATOM 1619 OG1 THR A 121 0.465 -5.538 8.072 1.00 53.15 O ATOM 1620 CG2 THR A 121 2.356 -4.103 8.220 1.00 23.12 C ATOM 0 H THR A 121 1.194 -6.595 5.157 1.00 1.41 H new ATOM 0 HA THR A 121 0.870 -3.799 6.014 1.00 14.13 H new ATOM 0 HB THR A 121 2.363 -6.059 7.402 1.00 65.22 H new ATOM 0 HG1 THR A 121 0.640 -5.834 8.990 1.00 53.15 H new ATOM 0 HG21 THR A 121 2.538 -4.447 9.238 1.00 23.12 H new ATOM 0 HG22 THR A 121 3.304 -3.835 7.753 1.00 23.12 H new ATOM 0 HG23 THR A 121 1.704 -3.230 8.243 1.00 23.12 H new ATOM 1628 N ILE A 122 3.159 -3.260 5.123 1.00 72.25 N ATOM 1629 CA ILE A 122 4.435 -2.963 4.514 1.00 41.25 C ATOM 1630 C ILE A 122 5.289 -2.172 5.480 1.00 71.44 C ATOM 1631 O ILE A 122 4.772 -1.368 6.274 1.00 62.40 O ATOM 1632 CB ILE A 122 4.320 -2.193 3.164 1.00 44.03 C ATOM 1633 CG1 ILE A 122 3.689 -0.825 3.346 1.00 31.44 C ATOM 1634 CG2 ILE A 122 3.517 -2.996 2.166 1.00 63.00 C ATOM 1635 CD1 ILE A 122 3.655 0.013 2.075 1.00 33.22 C ATOM 0 H ILE A 122 2.616 -2.442 5.401 1.00 72.25 H new ATOM 0 HA ILE A 122 4.899 -3.922 4.285 1.00 41.25 H new ATOM 0 HB ILE A 122 5.332 -2.050 2.786 1.00 44.03 H new ATOM 0 HG12 ILE A 122 2.671 -0.951 3.713 1.00 31.44 H new ATOM 0 HG13 ILE A 122 4.240 -0.281 4.114 1.00 31.44 H new ATOM 0 HG21 ILE A 122 3.446 -2.445 1.228 1.00 63.00 H new ATOM 0 HG22 ILE A 122 4.009 -3.952 1.988 1.00 63.00 H new ATOM 0 HG23 ILE A 122 2.516 -3.171 2.561 1.00 63.00 H new ATOM 0 HD11 ILE A 122 3.190 0.976 2.286 1.00 33.22 H new ATOM 0 HD12 ILE A 122 4.672 0.172 1.717 1.00 33.22 H new ATOM 0 HD13 ILE A 122 3.079 -0.508 1.311 1.00 33.22 H new ATOM 1647 N GLN A 123 6.570 -2.412 5.445 1.00 64.31 N ATOM 1648 CA GLN A 123 7.486 -1.706 6.295 1.00 42.03 C ATOM 1649 C GLN A 123 8.778 -1.462 5.551 1.00 24.45 C ATOM 1650 O GLN A 123 9.335 -2.380 4.948 1.00 64.22 O ATOM 1651 CB GLN A 123 7.734 -2.495 7.576 1.00 33.35 C ATOM 1652 CG GLN A 123 8.535 -1.747 8.623 1.00 4.33 C ATOM 1653 CD GLN A 123 8.599 -2.481 9.941 1.00 62.02 C ATOM 1654 OE1 GLN A 123 8.577 -3.707 9.995 1.00 43.32 O ATOM 1655 NE2 GLN A 123 8.654 -1.740 11.012 1.00 33.33 N ATOM 0 H GLN A 123 7.006 -3.099 4.830 1.00 64.31 H new ATOM 0 HA GLN A 123 7.055 -0.744 6.573 1.00 42.03 H new ATOM 0 HB2 GLN A 123 6.773 -2.780 8.005 1.00 33.35 H new ATOM 0 HB3 GLN A 123 8.257 -3.418 7.325 1.00 33.35 H new ATOM 0 HG2 GLN A 123 9.547 -1.584 8.253 1.00 4.33 H new ATOM 0 HG3 GLN A 123 8.091 -0.764 8.780 1.00 4.33 H new ATOM 0 HE21 GLN A 123 8.671 -0.724 10.929 1.00 33.33 H new ATOM 0 HE22 GLN A 123 8.680 -2.177 11.933 1.00 33.33 H new ATOM 1664 N VAL A 124 9.249 -0.246 5.576 1.00 12.34 N ATOM 1665 CA VAL A 124 10.450 0.105 4.852 1.00 74.44 C ATOM 1666 C VAL A 124 11.668 0.030 5.761 1.00 10.34 C ATOM 1667 O VAL A 124 11.747 0.708 6.789 1.00 61.13 O ATOM 1668 CB VAL A 124 10.335 1.500 4.177 1.00 2.23 C ATOM 1669 CG1 VAL A 124 11.612 1.856 3.432 1.00 11.14 C ATOM 1670 CG2 VAL A 124 9.159 1.515 3.213 1.00 41.23 C ATOM 0 H VAL A 124 8.822 0.524 6.090 1.00 12.34 H new ATOM 0 HA VAL A 124 10.576 -0.625 4.052 1.00 74.44 H new ATOM 0 HB VAL A 124 10.176 2.242 4.959 1.00 2.23 H new ATOM 0 HG11 VAL A 124 11.502 2.837 2.970 1.00 11.14 H new ATOM 0 HG12 VAL A 124 12.448 1.876 4.131 1.00 11.14 H new ATOM 0 HG13 VAL A 124 11.803 1.111 2.660 1.00 11.14 H new ATOM 0 HG21 VAL A 124 9.085 2.496 2.744 1.00 41.23 H new ATOM 0 HG22 VAL A 124 9.308 0.756 2.445 1.00 41.23 H new ATOM 0 HG23 VAL A 124 8.239 1.303 3.758 1.00 41.23 H new ATOM 1680 N THR A 125 12.587 -0.809 5.381 1.00 41.12 N ATOM 1681 CA THR A 125 13.786 -1.057 6.116 1.00 73.23 C ATOM 1682 C THR A 125 15.000 -0.723 5.218 1.00 70.23 C ATOM 1683 O THR A 125 15.071 -1.189 4.079 1.00 33.24 O ATOM 1684 CB THR A 125 13.793 -2.541 6.530 1.00 22.11 C ATOM 1685 OG1 THR A 125 12.587 -2.806 7.275 1.00 30.52 O ATOM 1686 CG2 THR A 125 14.990 -2.890 7.389 1.00 33.41 C ATOM 0 H THR A 125 12.517 -1.356 4.523 1.00 41.12 H new ATOM 0 HA THR A 125 13.840 -0.436 7.010 1.00 73.23 H new ATOM 0 HB THR A 125 13.849 -3.149 5.627 1.00 22.11 H new ATOM 0 HG1 THR A 125 12.113 -3.563 6.871 1.00 30.52 H new ATOM 0 HG21 THR A 125 14.951 -3.946 7.656 1.00 33.41 H new ATOM 0 HG22 THR A 125 15.907 -2.689 6.834 1.00 33.41 H new ATOM 0 HG23 THR A 125 14.975 -2.286 8.296 1.00 33.41 H new ATOM 1694 N PRO A 126 15.940 0.105 5.713 1.00 3.01 N ATOM 1695 CA PRO A 126 17.109 0.576 4.932 1.00 52.13 C ATOM 1696 C PRO A 126 18.005 -0.556 4.414 1.00 24.35 C ATOM 1697 O PRO A 126 18.043 -1.648 4.984 1.00 3.44 O ATOM 1698 CB PRO A 126 17.884 1.441 5.934 1.00 43.04 C ATOM 1699 CG PRO A 126 17.393 1.013 7.272 1.00 35.32 C ATOM 1700 CD PRO A 126 15.956 0.654 7.078 1.00 22.22 C ATOM 0 HA PRO A 126 16.788 1.101 4.033 1.00 52.13 H new ATOM 0 HB2 PRO A 126 18.959 1.287 5.840 1.00 43.04 H new ATOM 0 HB3 PRO A 126 17.698 2.502 5.766 1.00 43.04 H new ATOM 0 HG2 PRO A 126 17.963 0.162 7.644 1.00 35.32 H new ATOM 0 HG3 PRO A 126 17.501 1.814 8.004 1.00 35.32 H new ATOM 0 HD2 PRO A 126 15.619 -0.078 7.812 1.00 22.22 H new ATOM 0 HD3 PRO A 126 15.305 1.523 7.172 1.00 22.22 H new ATOM 1708 N LYS A 127 18.717 -0.290 3.328 1.00 31.32 N ATOM 1709 CA LYS A 127 19.639 -1.262 2.765 1.00 35.43 C ATOM 1710 C LYS A 127 20.978 -1.189 3.457 1.00 31.05 C ATOM 1711 O LYS A 127 21.398 -0.107 3.873 1.00 72.13 O ATOM 1712 CB LYS A 127 19.824 -1.068 1.258 1.00 1.12 C ATOM 1713 CG LYS A 127 18.594 -1.384 0.449 1.00 24.14 C ATOM 1714 CD LYS A 127 18.812 -1.204 -1.044 1.00 54.51 C ATOM 1715 CE LYS A 127 19.924 -2.102 -1.572 1.00 1.10 C ATOM 1716 NZ LYS A 127 20.072 -1.988 -3.033 1.00 34.33 N ATOM 0 H LYS A 127 18.673 0.593 2.819 1.00 31.32 H new ATOM 0 HA LYS A 127 19.203 -2.248 2.927 1.00 35.43 H new ATOM 0 HB2 LYS A 127 20.118 -0.036 1.067 1.00 1.12 H new ATOM 0 HB3 LYS A 127 20.644 -1.701 0.918 1.00 1.12 H new ATOM 0 HG2 LYS A 127 18.289 -2.412 0.646 1.00 24.14 H new ATOM 0 HG3 LYS A 127 17.776 -0.741 0.773 1.00 24.14 H new ATOM 0 HD2 LYS A 127 17.886 -1.424 -1.575 1.00 54.51 H new ATOM 0 HD3 LYS A 127 19.058 -0.163 -1.251 1.00 54.51 H new ATOM 0 HE2 LYS A 127 20.865 -1.837 -1.090 1.00 1.10 H new ATOM 0 HE3 LYS A 127 19.711 -3.138 -1.308 1.00 1.10 H new ATOM 0 HZ1 LYS A 127 20.838 -2.614 -3.354 1.00 34.33 H new ATOM 0 HZ2 LYS A 127 19.182 -2.265 -3.495 1.00 34.33 H new ATOM 0 HZ3 LYS A 127 20.300 -1.005 -3.283 1.00 34.33 H new ATOM 1772 N GLY A 132 19.187 3.218 -1.008 1.00 12.55 N ATOM 1773 CA GLY A 132 17.791 2.878 -1.021 1.00 1.31 C ATOM 1774 C GLY A 132 17.377 2.052 0.182 1.00 25.11 C ATOM 1775 O GLY A 132 18.110 1.954 1.182 1.00 13.32 O ATOM 0 HA2 GLY A 132 17.199 3.793 -1.049 1.00 1.31 H new ATOM 0 HA3 GLY A 132 17.565 2.324 -1.932 1.00 1.31 H new ATOM 1779 N SER A 133 16.216 1.469 0.108 1.00 11.53 N ATOM 1780 CA SER A 133 15.689 0.670 1.182 1.00 43.25 C ATOM 1781 C SER A 133 14.778 -0.427 0.641 1.00 11.10 C ATOM 1782 O SER A 133 14.291 -0.336 -0.485 1.00 40.21 O ATOM 1783 CB SER A 133 14.941 1.570 2.166 1.00 70.31 C ATOM 1784 OG SER A 133 15.828 2.537 2.725 1.00 30.30 O ATOM 0 H SER A 133 15.602 1.533 -0.704 1.00 11.53 H new ATOM 0 HA SER A 133 16.513 0.184 1.705 1.00 43.25 H new ATOM 0 HB2 SER A 133 14.119 2.072 1.657 1.00 70.31 H new ATOM 0 HB3 SER A 133 14.503 0.966 2.961 1.00 70.31 H new ATOM 0 HG SER A 133 15.979 3.256 2.076 1.00 30.30 H new ATOM 1790 N ILE A 134 14.587 -1.464 1.419 1.00 31.24 N ATOM 1791 CA ILE A 134 13.693 -2.541 1.070 1.00 55.43 C ATOM 1792 C ILE A 134 12.371 -2.380 1.784 1.00 73.41 C ATOM 1793 O ILE A 134 12.324 -2.190 3.007 1.00 11.35 O ATOM 1794 CB ILE A 134 14.285 -3.993 1.356 1.00 3.51 C ATOM 1795 CG1 ILE A 134 15.081 -4.552 0.186 1.00 55.24 C ATOM 1796 CG2 ILE A 134 13.242 -4.986 1.756 1.00 63.52 C ATOM 1797 CD1 ILE A 134 16.313 -3.830 -0.129 1.00 31.31 C ATOM 0 H ILE A 134 15.051 -1.585 2.319 1.00 31.24 H new ATOM 0 HA ILE A 134 13.553 -2.471 -0.009 1.00 55.43 H new ATOM 0 HB ILE A 134 14.961 -3.844 2.198 1.00 3.51 H new ATOM 0 HG12 ILE A 134 15.332 -5.591 0.401 1.00 55.24 H new ATOM 0 HG13 ILE A 134 14.444 -4.555 -0.698 1.00 55.24 H new ATOM 0 HG21 ILE A 134 13.711 -5.953 1.936 1.00 63.52 H new ATOM 0 HG22 ILE A 134 12.747 -4.647 2.666 1.00 63.52 H new ATOM 0 HG23 ILE A 134 12.506 -5.082 0.958 1.00 63.52 H new ATOM 0 HD11 ILE A 134 16.807 -4.306 -0.976 1.00 31.31 H new ATOM 0 HD12 ILE A 134 16.075 -2.797 -0.381 1.00 31.31 H new ATOM 0 HD13 ILE A 134 16.977 -3.849 0.735 1.00 31.31 H new ATOM 1809 N VAL A 135 11.317 -2.443 1.038 1.00 53.31 N ATOM 1810 CA VAL A 135 10.022 -2.448 1.606 1.00 4.05 C ATOM 1811 C VAL A 135 9.600 -3.896 1.788 1.00 65.03 C ATOM 1812 O VAL A 135 9.578 -4.690 0.834 1.00 21.43 O ATOM 1813 CB VAL A 135 8.974 -1.625 0.774 1.00 73.11 C ATOM 1814 CG1 VAL A 135 8.865 -2.095 -0.663 1.00 44.30 C ATOM 1815 CG2 VAL A 135 7.609 -1.635 1.453 1.00 44.51 C ATOM 0 H VAL A 135 11.336 -2.492 0.019 1.00 53.31 H new ATOM 0 HA VAL A 135 10.057 -1.942 2.571 1.00 4.05 H new ATOM 0 HB VAL A 135 9.340 -0.599 0.741 1.00 73.11 H new ATOM 0 HG11 VAL A 135 8.126 -1.490 -1.189 1.00 44.30 H new ATOM 0 HG12 VAL A 135 9.833 -1.993 -1.154 1.00 44.30 H new ATOM 0 HG13 VAL A 135 8.557 -3.140 -0.682 1.00 44.30 H new ATOM 0 HG21 VAL A 135 6.902 -1.058 0.857 1.00 44.51 H new ATOM 0 HG22 VAL A 135 7.255 -2.662 1.543 1.00 44.51 H new ATOM 0 HG23 VAL A 135 7.693 -1.192 2.445 1.00 44.51 H new ATOM 1825 N HIS A 136 9.351 -4.247 3.010 1.00 70.14 N ATOM 1826 CA HIS A 136 8.955 -5.579 3.352 1.00 24.01 C ATOM 1827 C HIS A 136 7.467 -5.686 3.287 1.00 31.11 C ATOM 1828 O HIS A 136 6.759 -5.056 4.072 1.00 3.51 O ATOM 1829 CB HIS A 136 9.461 -5.986 4.754 1.00 22.14 C ATOM 1830 CG HIS A 136 10.947 -6.185 4.856 1.00 53.44 C ATOM 1831 ND1 HIS A 136 11.970 -5.306 5.042 1.00 75.52 N flip ATOM 1832 CD2 HIS A 136 11.531 -7.420 4.776 1.00 73.33 C flip ATOM 1833 CE1 HIS A 136 13.124 -6.042 5.066 1.00 21.12 C flip ATOM 1834 NE2 HIS A 136 12.828 -7.308 4.903 1.00 34.42 N flip ATOM 0 H HIS A 136 9.417 -3.613 3.806 1.00 70.14 H new ATOM 0 HA HIS A 136 9.406 -6.264 2.634 1.00 24.01 H new ATOM 0 HB2 HIS A 136 9.162 -5.220 5.469 1.00 22.14 H new ATOM 0 HB3 HIS A 136 8.964 -6.910 5.050 1.00 22.14 H new ATOM 0 HD2 HIS A 136 11.000 -8.349 4.630 1.00 73.33 H new ATOM 0 HE1 HIS A 136 14.119 -5.643 5.198 1.00 21.12 H new ATOM 0 HE2 HIS A 136 13.497 -8.077 4.879 1.00 34.42 H new ATOM 1843 N TRP A 137 6.995 -6.433 2.333 1.00 24.12 N ATOM 1844 CA TRP A 137 5.594 -6.662 2.183 1.00 64.33 C ATOM 1845 C TRP A 137 5.230 -7.920 2.909 1.00 13.35 C ATOM 1846 O TRP A 137 5.760 -8.981 2.612 1.00 71.25 O ATOM 1847 CB TRP A 137 5.230 -6.833 0.713 1.00 65.42 C ATOM 1848 CG TRP A 137 5.417 -5.625 -0.143 1.00 74.14 C ATOM 1849 CD1 TRP A 137 6.593 -5.065 -0.571 1.00 40.34 C ATOM 1850 CD2 TRP A 137 4.376 -4.847 -0.710 1.00 42.44 C ATOM 1851 NE1 TRP A 137 6.325 -3.977 -1.357 1.00 21.31 N ATOM 1852 CE2 TRP A 137 4.976 -3.823 -1.455 1.00 64.33 C ATOM 1853 CE3 TRP A 137 2.981 -4.917 -0.650 1.00 74.45 C ATOM 1854 CZ2 TRP A 137 4.240 -2.877 -2.136 1.00 42.42 C ATOM 1855 CZ3 TRP A 137 2.245 -3.978 -1.326 1.00 55.52 C ATOM 1856 CH2 TRP A 137 2.871 -2.968 -2.062 1.00 34.20 C ATOM 0 H TRP A 137 7.575 -6.901 1.636 1.00 24.12 H new ATOM 0 HA TRP A 137 5.054 -5.806 2.588 1.00 64.33 H new ATOM 0 HB2 TRP A 137 5.830 -7.644 0.301 1.00 65.42 H new ATOM 0 HB3 TRP A 137 4.187 -7.143 0.649 1.00 65.42 H new ATOM 0 HD1 TRP A 137 7.580 -5.427 -0.325 1.00 40.34 H new ATOM 0 HE1 TRP A 137 7.023 -3.378 -1.798 1.00 21.31 H new ATOM 0 HE3 TRP A 137 2.493 -5.695 -0.082 1.00 74.45 H new ATOM 0 HZ2 TRP A 137 4.721 -2.095 -2.705 1.00 42.42 H new ATOM 0 HZ3 TRP A 137 1.166 -4.019 -1.289 1.00 55.52 H new ATOM 0 HH2 TRP A 137 2.265 -2.243 -2.584 1.00 34.20 H new ATOM 1867 N HIS A 138 4.346 -7.808 3.835 1.00 12.52 N ATOM 1868 CA HIS A 138 3.875 -8.927 4.586 1.00 61.43 C ATOM 1869 C HIS A 138 2.387 -9.055 4.318 1.00 64.14 C ATOM 1870 O HIS A 138 1.612 -8.206 4.726 1.00 54.33 O ATOM 1871 CB HIS A 138 4.172 -8.655 6.082 1.00 61.21 C ATOM 1872 CG HIS A 138 3.715 -9.689 7.053 1.00 3.32 C ATOM 1873 ND1 HIS A 138 4.511 -10.716 7.502 1.00 75.31 N ATOM 1874 CD2 HIS A 138 2.549 -9.808 7.703 1.00 1.15 C ATOM 1875 CE1 HIS A 138 3.843 -11.424 8.393 1.00 21.13 C ATOM 1876 NE2 HIS A 138 2.645 -10.886 8.529 1.00 34.33 N ATOM 0 H HIS A 138 3.919 -6.921 4.101 1.00 12.52 H new ATOM 0 HA HIS A 138 4.364 -9.860 4.306 1.00 61.43 H new ATOM 0 HB2 HIS A 138 5.249 -8.531 6.198 1.00 61.21 H new ATOM 0 HB3 HIS A 138 3.711 -7.705 6.354 1.00 61.21 H new ATOM 0 HD1 HIS A 138 5.466 -10.901 7.195 1.00 75.31 H new ATOM 0 HD2 HIS A 138 1.689 -9.165 7.592 1.00 1.15 H new ATOM 0 HE1 HIS A 138 4.212 -12.292 8.919 1.00 21.13 H new ATOM 0 HE2 HIS A 138 1.911 -11.223 9.152 1.00 34.33 H new ATOM 1885 N LEU A 139 1.997 -10.091 3.624 1.00 73.44 N ATOM 1886 CA LEU A 139 0.610 -10.280 3.251 1.00 5.44 C ATOM 1887 C LEU A 139 0.072 -11.522 3.917 1.00 42.44 C ATOM 1888 O LEU A 139 0.703 -12.570 3.858 1.00 54.40 O ATOM 1889 CB LEU A 139 0.431 -10.436 1.706 1.00 45.41 C ATOM 1890 CG LEU A 139 0.936 -9.300 0.770 1.00 63.33 C ATOM 1891 CD1 LEU A 139 2.454 -9.244 0.689 1.00 43.32 C ATOM 1892 CD2 LEU A 139 0.332 -9.438 -0.617 1.00 1.13 C ATOM 0 H LEU A 139 2.624 -10.827 3.300 1.00 73.44 H new ATOM 0 HA LEU A 139 0.066 -9.393 3.575 1.00 5.44 H new ATOM 0 HB2 LEU A 139 0.934 -11.356 1.408 1.00 45.41 H new ATOM 0 HB3 LEU A 139 -0.632 -10.576 1.510 1.00 45.41 H new ATOM 0 HG LEU A 139 0.605 -8.358 1.208 1.00 63.33 H new ATOM 0 HD11 LEU A 139 2.753 -8.434 0.023 1.00 43.32 H new ATOM 0 HD12 LEU A 139 2.865 -9.067 1.683 1.00 43.32 H new ATOM 0 HD13 LEU A 139 2.833 -10.190 0.303 1.00 43.32 H new ATOM 0 HD21 LEU A 139 0.698 -8.634 -1.255 1.00 1.13 H new ATOM 0 HD22 LEU A 139 0.618 -10.399 -1.044 1.00 1.13 H new ATOM 0 HD23 LEU A 139 -0.754 -9.380 -0.548 1.00 1.13 H new ATOM 1904 N GLU A 140 -1.069 -11.405 4.547 1.00 23.11 N ATOM 1905 CA GLU A 140 -1.726 -12.539 5.174 1.00 13.13 C ATOM 1906 C GLU A 140 -3.173 -12.579 4.746 1.00 74.23 C ATOM 1907 O GLU A 140 -3.902 -11.578 4.847 1.00 5.14 O ATOM 1908 CB GLU A 140 -1.614 -12.491 6.697 1.00 24.10 C ATOM 1909 CG GLU A 140 -0.187 -12.569 7.193 1.00 21.25 C ATOM 1910 CD GLU A 140 -0.091 -12.585 8.686 1.00 10.31 C ATOM 1911 OE1 GLU A 140 -0.108 -13.678 9.277 1.00 74.41 O ATOM 1912 OE2 GLU A 140 0.038 -11.511 9.288 1.00 61.33 O ATOM 0 H GLU A 140 -1.574 -10.524 4.644 1.00 23.11 H new ATOM 0 HA GLU A 140 -1.224 -13.450 4.847 1.00 13.13 H new ATOM 0 HB2 GLU A 140 -2.068 -11.568 7.059 1.00 24.10 H new ATOM 0 HB3 GLU A 140 -2.185 -13.316 7.123 1.00 24.10 H new ATOM 0 HG2 GLU A 140 0.283 -13.468 6.794 1.00 21.25 H new ATOM 0 HG3 GLU A 140 0.374 -11.718 6.807 1.00 21.25 H new ATOM 1919 N TYR A 141 -3.586 -13.708 4.272 1.00 10.30 N ATOM 1920 CA TYR A 141 -4.915 -13.861 3.715 1.00 51.31 C ATOM 1921 C TYR A 141 -5.440 -15.280 3.869 1.00 23.34 C ATOM 1922 O TYR A 141 -4.686 -16.197 4.032 1.00 14.41 O ATOM 1923 CB TYR A 141 -4.900 -13.411 2.239 1.00 35.40 C ATOM 1924 CG TYR A 141 -3.767 -14.011 1.421 1.00 31.40 C ATOM 1925 CD1 TYR A 141 -3.895 -15.242 0.822 1.00 4.14 C ATOM 1926 CD2 TYR A 141 -2.554 -13.336 1.287 1.00 53.21 C ATOM 1927 CE1 TYR A 141 -2.861 -15.796 0.099 1.00 2.11 C ATOM 1928 CE2 TYR A 141 -1.506 -13.884 0.572 1.00 41.34 C ATOM 1929 CZ TYR A 141 -1.665 -15.116 -0.022 1.00 22.44 C ATOM 1930 OH TYR A 141 -0.623 -15.679 -0.733 1.00 53.42 O ATOM 0 H TYR A 141 -3.022 -14.558 4.254 1.00 10.30 H new ATOM 0 HA TYR A 141 -5.604 -13.226 4.273 1.00 51.31 H new ATOM 0 HB2 TYR A 141 -5.850 -13.681 1.778 1.00 35.40 H new ATOM 0 HB3 TYR A 141 -4.825 -12.324 2.202 1.00 35.40 H new ATOM 0 HD1 TYR A 141 -4.823 -15.785 0.920 1.00 4.14 H new ATOM 0 HD2 TYR A 141 -2.432 -12.368 1.750 1.00 53.21 H new ATOM 0 HE1 TYR A 141 -2.986 -16.760 -0.372 1.00 2.11 H new ATOM 0 HE2 TYR A 141 -0.571 -13.351 0.480 1.00 41.34 H new ATOM 0 HH TYR A 141 -0.074 -14.969 -1.126 1.00 53.42 H new ATOM 1940 N GLU A 142 -6.726 -15.437 3.822 1.00 12.34 N ATOM 1941 CA GLU A 142 -7.338 -16.743 3.987 1.00 70.50 C ATOM 1942 C GLU A 142 -7.922 -17.185 2.647 1.00 1.25 C ATOM 1943 O GLU A 142 -8.766 -16.474 2.071 1.00 75.23 O ATOM 1944 CB GLU A 142 -8.447 -16.629 5.042 1.00 11.22 C ATOM 1945 CG GLU A 142 -9.133 -17.923 5.454 1.00 34.13 C ATOM 1946 CD GLU A 142 -8.215 -18.895 6.161 1.00 73.22 C ATOM 1947 OE1 GLU A 142 -7.874 -18.656 7.343 1.00 2.15 O ATOM 1948 OE2 GLU A 142 -7.868 -19.928 5.568 1.00 14.54 O ATOM 0 H GLU A 142 -7.388 -14.676 3.670 1.00 12.34 H new ATOM 0 HA GLU A 142 -6.603 -17.479 4.314 1.00 70.50 H new ATOM 0 HB2 GLU A 142 -8.022 -16.170 5.935 1.00 11.22 H new ATOM 0 HB3 GLU A 142 -9.208 -15.946 4.664 1.00 11.22 H new ATOM 0 HG2 GLU A 142 -9.972 -17.687 6.108 1.00 34.13 H new ATOM 0 HG3 GLU A 142 -9.545 -18.405 4.567 1.00 34.13 H new ATOM 1955 N LYS A 143 -7.464 -18.323 2.132 1.00 2.52 N ATOM 1956 CA LYS A 143 -7.978 -18.851 0.865 1.00 42.31 C ATOM 1957 C LYS A 143 -9.430 -19.244 0.978 1.00 65.15 C ATOM 1958 O LYS A 143 -9.832 -19.865 1.954 1.00 21.31 O ATOM 1959 CB LYS A 143 -7.217 -20.114 0.383 1.00 60.11 C ATOM 1960 CG LYS A 143 -5.890 -19.924 -0.348 1.00 3.33 C ATOM 1961 CD LYS A 143 -4.805 -19.289 0.474 1.00 11.33 C ATOM 1962 CE LYS A 143 -3.499 -19.270 -0.306 1.00 5.40 C ATOM 1963 NZ LYS A 143 -2.988 -20.636 -0.600 1.00 63.21 N ATOM 0 H LYS A 143 -6.742 -18.897 2.567 1.00 2.52 H new ATOM 0 HA LYS A 143 -7.840 -18.039 0.151 1.00 42.31 H new ATOM 0 HB2 LYS A 143 -7.030 -20.742 1.254 1.00 60.11 H new ATOM 0 HB3 LYS A 143 -7.883 -20.672 -0.276 1.00 60.11 H new ATOM 0 HG2 LYS A 143 -5.541 -20.896 -0.697 1.00 3.33 H new ATOM 0 HG3 LYS A 143 -6.063 -19.311 -1.233 1.00 3.33 H new ATOM 0 HD2 LYS A 143 -5.091 -18.272 0.744 1.00 11.33 H new ATOM 0 HD3 LYS A 143 -4.673 -19.841 1.405 1.00 11.33 H new ATOM 0 HE2 LYS A 143 -3.647 -18.732 -1.242 1.00 5.40 H new ATOM 0 HE3 LYS A 143 -2.749 -18.720 0.262 1.00 5.40 H new ATOM 0 HZ1 LYS A 143 -1.989 -20.579 -0.882 1.00 63.21 H new ATOM 0 HZ2 LYS A 143 -3.075 -21.229 0.250 1.00 63.21 H new ATOM 0 HZ3 LYS A 143 -3.543 -21.055 -1.373 1.00 63.21 H new ATOM 1977 N ILE A 144 -10.221 -18.879 -0.004 1.00 65.24 N ATOM 1978 CA ILE A 144 -11.557 -19.422 -0.084 1.00 14.01 C ATOM 1979 C ILE A 144 -11.394 -20.850 -0.566 1.00 73.33 C ATOM 1980 O ILE A 144 -12.048 -21.769 -0.092 1.00 2.34 O ATOM 1981 CB ILE A 144 -12.456 -18.623 -1.057 1.00 70.02 C ATOM 1982 CG1 ILE A 144 -12.589 -17.186 -0.565 1.00 52.55 C ATOM 1983 CG2 ILE A 144 -13.834 -19.279 -1.196 1.00 72.21 C ATOM 1984 CD1 ILE A 144 -13.443 -16.310 -1.438 1.00 20.32 C ATOM 0 H ILE A 144 -9.971 -18.223 -0.744 1.00 65.24 H new ATOM 0 HA ILE A 144 -12.049 -19.368 0.887 1.00 14.01 H new ATOM 0 HB ILE A 144 -11.992 -18.621 -2.043 1.00 70.02 H new ATOM 0 HG12 ILE A 144 -13.009 -17.196 0.441 1.00 52.55 H new ATOM 0 HG13 ILE A 144 -11.594 -16.746 -0.491 1.00 52.55 H new ATOM 0 HG21 ILE A 144 -14.446 -18.697 -1.885 1.00 72.21 H new ATOM 0 HG22 ILE A 144 -13.717 -20.292 -1.580 1.00 72.21 H new ATOM 0 HG23 ILE A 144 -14.320 -19.315 -0.221 1.00 72.21 H new ATOM 0 HD11 ILE A 144 -13.485 -15.306 -1.016 1.00 20.32 H new ATOM 0 HD12 ILE A 144 -13.014 -16.266 -2.439 1.00 20.32 H new ATOM 0 HD13 ILE A 144 -14.450 -16.722 -1.493 1.00 20.32 H new ATOM 1996 N SER A 145 -10.466 -21.001 -1.477 1.00 23.12 N ATOM 1997 CA SER A 145 -10.052 -22.255 -2.018 1.00 62.14 C ATOM 1998 C SER A 145 -8.796 -21.954 -2.835 1.00 24.32 C ATOM 1999 O SER A 145 -8.486 -20.773 -3.057 1.00 43.22 O ATOM 2000 CB SER A 145 -11.174 -22.864 -2.876 1.00 71.30 C ATOM 2001 OG SER A 145 -10.861 -24.170 -3.340 1.00 74.41 O ATOM 0 H SER A 145 -9.959 -20.210 -1.875 1.00 23.12 H new ATOM 0 HA SER A 145 -9.838 -22.992 -1.244 1.00 62.14 H new ATOM 0 HB2 SER A 145 -12.093 -22.901 -2.292 1.00 71.30 H new ATOM 0 HB3 SER A 145 -11.365 -22.215 -3.731 1.00 71.30 H new ATOM 0 HG SER A 145 -11.605 -24.513 -3.878 1.00 74.41 H new ATOM 2007 N GLU A 146 -8.096 -22.968 -3.269 1.00 5.44 N ATOM 2008 CA GLU A 146 -6.831 -22.796 -3.978 1.00 3.31 C ATOM 2009 C GLU A 146 -6.987 -22.204 -5.356 1.00 5.21 C ATOM 2010 O GLU A 146 -6.395 -21.170 -5.652 1.00 12.51 O ATOM 2011 CB GLU A 146 -6.085 -24.086 -4.045 1.00 2.12 C ATOM 2012 CG GLU A 146 -5.387 -24.448 -2.748 1.00 31.44 C ATOM 2013 CD GLU A 146 -4.258 -23.476 -2.432 1.00 22.14 C ATOM 2014 OE1 GLU A 146 -4.522 -22.368 -1.904 1.00 34.51 O ATOM 2015 OE2 GLU A 146 -3.092 -23.787 -2.753 1.00 54.33 O ATOM 0 H GLU A 146 -8.376 -23.941 -3.147 1.00 5.44 H new ATOM 0 HA GLU A 146 -6.256 -22.074 -3.399 1.00 3.31 H new ATOM 0 HB2 GLU A 146 -6.778 -24.884 -4.311 1.00 2.12 H new ATOM 0 HB3 GLU A 146 -5.345 -24.028 -4.843 1.00 2.12 H new ATOM 0 HG2 GLU A 146 -6.109 -24.446 -1.932 1.00 31.44 H new ATOM 0 HG3 GLU A 146 -4.988 -25.460 -2.818 1.00 31.44 H new ATOM 2022 N GLU A 147 -7.799 -22.845 -6.197 1.00 72.22 N ATOM 2023 CA GLU A 147 -8.065 -22.351 -7.559 1.00 61.10 C ATOM 2024 C GLU A 147 -8.714 -20.977 -7.509 1.00 70.43 C ATOM 2025 O GLU A 147 -8.704 -20.222 -8.482 1.00 30.11 O ATOM 2026 CB GLU A 147 -8.966 -23.315 -8.351 1.00 74.14 C ATOM 2027 CG GLU A 147 -8.368 -24.692 -8.602 1.00 1.41 C ATOM 2028 CD GLU A 147 -9.259 -25.561 -9.468 1.00 33.22 C ATOM 2029 OE1 GLU A 147 -9.247 -25.385 -10.697 1.00 34.14 O ATOM 2030 OE2 GLU A 147 -9.967 -26.429 -8.943 1.00 35.40 O ATOM 0 H GLU A 147 -8.287 -23.710 -5.963 1.00 72.22 H new ATOM 0 HA GLU A 147 -7.105 -22.284 -8.070 1.00 61.10 H new ATOM 0 HB2 GLU A 147 -9.906 -23.436 -7.812 1.00 74.14 H new ATOM 0 HB3 GLU A 147 -9.206 -22.859 -9.311 1.00 74.14 H new ATOM 0 HG2 GLU A 147 -7.396 -24.581 -9.083 1.00 1.41 H new ATOM 0 HG3 GLU A 147 -8.197 -25.190 -7.648 1.00 1.41 H new ATOM 2037 N VAL A 148 -9.270 -20.670 -6.370 1.00 23.34 N ATOM 2038 CA VAL A 148 -9.984 -19.428 -6.165 1.00 34.14 C ATOM 2039 C VAL A 148 -9.012 -18.298 -5.765 1.00 25.42 C ATOM 2040 O VAL A 148 -9.318 -17.127 -5.910 1.00 23.44 O ATOM 2041 CB VAL A 148 -11.100 -19.611 -5.091 1.00 61.20 C ATOM 2042 CG1 VAL A 148 -11.903 -18.333 -4.879 1.00 22.33 C ATOM 2043 CG2 VAL A 148 -12.019 -20.749 -5.494 1.00 4.33 C ATOM 0 H VAL A 148 -9.244 -21.274 -5.549 1.00 23.34 H new ATOM 0 HA VAL A 148 -10.459 -19.144 -7.104 1.00 34.14 H new ATOM 0 HB VAL A 148 -10.616 -19.850 -4.144 1.00 61.20 H new ATOM 0 HG11 VAL A 148 -12.669 -18.506 -4.123 1.00 22.33 H new ATOM 0 HG12 VAL A 148 -11.238 -17.536 -4.546 1.00 22.33 H new ATOM 0 HG13 VAL A 148 -12.377 -18.042 -5.816 1.00 22.33 H new ATOM 0 HG21 VAL A 148 -12.797 -20.873 -4.740 1.00 4.33 H new ATOM 0 HG22 VAL A 148 -12.479 -20.522 -6.456 1.00 4.33 H new ATOM 0 HG23 VAL A 148 -11.443 -21.671 -5.575 1.00 4.33 H new ATOM 2053 N ALA A 149 -7.842 -18.657 -5.320 1.00 2.42 N ATOM 2054 CA ALA A 149 -6.872 -17.678 -4.886 1.00 13.12 C ATOM 2055 C ALA A 149 -5.785 -17.511 -5.933 1.00 63.24 C ATOM 2056 O ALA A 149 -5.383 -18.475 -6.583 1.00 61.31 O ATOM 2057 CB ALA A 149 -6.264 -18.106 -3.564 1.00 44.54 C ATOM 0 H ALA A 149 -7.530 -19.625 -5.246 1.00 2.42 H new ATOM 0 HA ALA A 149 -7.374 -16.720 -4.753 1.00 13.12 H new ATOM 0 HB1 ALA A 149 -5.533 -17.364 -3.242 1.00 44.54 H new ATOM 0 HB2 ALA A 149 -7.049 -18.192 -2.813 1.00 44.54 H new ATOM 0 HB3 ALA A 149 -5.772 -19.071 -3.685 1.00 44.54 H new ATOM 2063 N HIS A 150 -5.328 -16.293 -6.126 1.00 51.35 N ATOM 2064 CA HIS A 150 -4.233 -16.031 -7.061 1.00 52.43 C ATOM 2065 C HIS A 150 -3.171 -15.141 -6.445 1.00 73.43 C ATOM 2066 O HIS A 150 -3.239 -13.930 -6.565 1.00 4.24 O ATOM 2067 CB HIS A 150 -4.707 -15.411 -8.390 1.00 44.03 C ATOM 2068 CG HIS A 150 -5.540 -16.300 -9.253 1.00 50.54 C ATOM 2069 ND1 HIS A 150 -5.044 -16.932 -10.368 1.00 23.33 N ATOM 2070 CD2 HIS A 150 -6.847 -16.633 -9.186 1.00 31.51 C ATOM 2071 CE1 HIS A 150 -6.008 -17.609 -10.948 1.00 55.10 C ATOM 2072 NE2 HIS A 150 -7.111 -17.449 -10.254 1.00 71.21 N ATOM 0 H HIS A 150 -5.690 -15.464 -5.654 1.00 51.35 H new ATOM 0 HA HIS A 150 -3.804 -17.009 -7.282 1.00 52.43 H new ATOM 0 HB2 HIS A 150 -5.279 -14.510 -8.167 1.00 44.03 H new ATOM 0 HB3 HIS A 150 -3.831 -15.099 -8.958 1.00 44.03 H new ATOM 0 HD1 HIS A 150 -4.079 -16.883 -10.694 1.00 23.33 H new ATOM 0 HD2 HIS A 150 -7.552 -16.315 -8.432 1.00 31.51 H new ATOM 0 HE1 HIS A 150 -5.910 -18.200 -11.847 1.00 55.10 H new ATOM 2081 N PRO A 151 -2.175 -15.717 -5.742 1.00 70.32 N ATOM 2082 CA PRO A 151 -1.068 -14.930 -5.141 1.00 10.22 C ATOM 2083 C PRO A 151 -0.234 -14.231 -6.224 1.00 41.45 C ATOM 2084 O PRO A 151 0.546 -13.313 -5.947 1.00 1.44 O ATOM 2085 CB PRO A 151 -0.229 -15.989 -4.413 1.00 55.03 C ATOM 2086 CG PRO A 151 -1.150 -17.151 -4.233 1.00 4.10 C ATOM 2087 CD PRO A 151 -2.052 -17.150 -5.431 1.00 41.00 C ATOM 0 HA PRO A 151 -1.425 -14.138 -4.483 1.00 10.22 H new ATOM 0 HB2 PRO A 151 0.649 -16.267 -4.996 1.00 55.03 H new ATOM 0 HB3 PRO A 151 0.130 -15.617 -3.453 1.00 55.03 H new ATOM 0 HG2 PRO A 151 -0.592 -18.085 -4.165 1.00 4.10 H new ATOM 0 HG3 PRO A 151 -1.724 -17.055 -3.312 1.00 4.10 H new ATOM 0 HD2 PRO A 151 -1.622 -17.709 -6.262 1.00 41.00 H new ATOM 0 HD3 PRO A 151 -3.019 -17.601 -5.210 1.00 41.00 H new ATOM 2095 N GLU A 152 -0.459 -14.672 -7.453 1.00 54.22 N ATOM 2096 CA GLU A 152 0.185 -14.169 -8.656 1.00 3.12 C ATOM 2097 C GLU A 152 -0.051 -12.682 -8.782 1.00 11.33 C ATOM 2098 O GLU A 152 0.862 -11.891 -9.009 1.00 60.31 O ATOM 2099 CB GLU A 152 -0.501 -14.815 -9.870 1.00 1.24 C ATOM 2100 CG GLU A 152 -0.662 -16.304 -9.768 1.00 13.32 C ATOM 2101 CD GLU A 152 -1.249 -16.930 -11.012 1.00 60.15 C ATOM 2102 OE1 GLU A 152 -2.498 -16.988 -11.137 1.00 21.31 O ATOM 2103 OE2 GLU A 152 -0.473 -17.395 -11.873 1.00 35.35 O ATOM 0 H GLU A 152 -1.123 -15.421 -7.646 1.00 54.22 H new ATOM 0 HA GLU A 152 1.251 -14.391 -8.609 1.00 3.12 H new ATOM 0 HB2 GLU A 152 -1.484 -14.363 -10.000 1.00 1.24 H new ATOM 0 HB3 GLU A 152 0.077 -14.584 -10.765 1.00 1.24 H new ATOM 0 HG2 GLU A 152 0.310 -16.754 -9.567 1.00 13.32 H new ATOM 0 HG3 GLU A 152 -1.302 -16.535 -8.917 1.00 13.32 H new ATOM 2110 N THR A 153 -1.282 -12.326 -8.583 1.00 53.10 N ATOM 2111 CA THR A 153 -1.752 -11.008 -8.805 1.00 40.32 C ATOM 2112 C THR A 153 -1.395 -10.108 -7.631 1.00 30.22 C ATOM 2113 O THR A 153 -1.179 -8.908 -7.792 1.00 21.43 O ATOM 2114 CB THR A 153 -3.265 -11.060 -9.065 1.00 61.50 C ATOM 2115 OG1 THR A 153 -3.924 -11.560 -7.897 1.00 73.32 O ATOM 2116 CG2 THR A 153 -3.526 -12.043 -10.214 1.00 45.12 C ATOM 0 H THR A 153 -2.002 -12.968 -8.252 1.00 53.10 H new ATOM 0 HA THR A 153 -1.268 -10.577 -9.682 1.00 40.32 H new ATOM 0 HB THR A 153 -3.634 -10.064 -9.311 1.00 61.50 H new ATOM 0 HG1 THR A 153 -3.605 -12.466 -7.704 1.00 73.32 H new ATOM 0 HG21 THR A 153 -4.596 -12.094 -10.414 1.00 45.12 H new ATOM 0 HG22 THR A 153 -3.006 -11.703 -11.109 1.00 45.12 H new ATOM 0 HG23 THR A 153 -3.162 -13.032 -9.937 1.00 45.12 H new ATOM 2124 N LEU A 154 -1.312 -10.708 -6.449 1.00 20.12 N ATOM 2125 CA LEU A 154 -0.925 -9.997 -5.238 1.00 23.34 C ATOM 2126 C LEU A 154 0.487 -9.453 -5.393 1.00 1.41 C ATOM 2127 O LEU A 154 0.778 -8.324 -4.987 1.00 44.21 O ATOM 2128 CB LEU A 154 -0.985 -10.921 -4.024 1.00 33.33 C ATOM 2129 CG LEU A 154 -2.334 -11.571 -3.723 1.00 23.44 C ATOM 2130 CD1 LEU A 154 -2.221 -12.454 -2.503 1.00 33.23 C ATOM 2131 CD2 LEU A 154 -3.416 -10.523 -3.516 1.00 2.14 C ATOM 0 H LEU A 154 -1.511 -11.698 -6.304 1.00 20.12 H new ATOM 0 HA LEU A 154 -1.623 -9.174 -5.083 1.00 23.34 H new ATOM 0 HB2 LEU A 154 -0.249 -11.713 -4.162 1.00 33.33 H new ATOM 0 HB3 LEU A 154 -0.679 -10.351 -3.147 1.00 33.33 H new ATOM 0 HG LEU A 154 -2.617 -12.180 -4.581 1.00 23.44 H new ATOM 0 HD11 LEU A 154 -3.187 -12.913 -2.296 1.00 33.23 H new ATOM 0 HD12 LEU A 154 -1.480 -13.233 -2.685 1.00 33.23 H new ATOM 0 HD13 LEU A 154 -1.913 -11.854 -1.647 1.00 33.23 H new ATOM 0 HD21 LEU A 154 -4.364 -11.016 -3.304 1.00 2.14 H new ATOM 0 HD22 LEU A 154 -3.145 -9.881 -2.678 1.00 2.14 H new ATOM 0 HD23 LEU A 154 -3.515 -9.919 -4.418 1.00 2.14 H new ATOM 2143 N LEU A 155 1.360 -10.252 -5.997 1.00 43.23 N ATOM 2144 CA LEU A 155 2.720 -9.822 -6.256 1.00 45.23 C ATOM 2145 C LEU A 155 2.754 -8.690 -7.245 1.00 55.33 C ATOM 2146 O LEU A 155 3.548 -7.761 -7.106 1.00 33.15 O ATOM 2147 CB LEU A 155 3.604 -10.974 -6.715 1.00 62.51 C ATOM 2148 CG LEU A 155 3.862 -12.052 -5.671 1.00 15.44 C ATOM 2149 CD1 LEU A 155 4.766 -13.122 -6.232 1.00 11.52 C ATOM 2150 CD2 LEU A 155 4.484 -11.442 -4.426 1.00 4.40 C ATOM 0 H LEU A 155 1.146 -11.198 -6.314 1.00 43.23 H new ATOM 0 HA LEU A 155 3.125 -9.459 -5.312 1.00 45.23 H new ATOM 0 HB2 LEU A 155 3.144 -11.439 -7.587 1.00 62.51 H new ATOM 0 HB3 LEU A 155 4.562 -10.568 -7.039 1.00 62.51 H new ATOM 0 HG LEU A 155 2.909 -12.507 -5.401 1.00 15.44 H new ATOM 0 HD11 LEU A 155 4.941 -13.885 -5.474 1.00 11.52 H new ATOM 0 HD12 LEU A 155 4.294 -13.577 -7.103 1.00 11.52 H new ATOM 0 HD13 LEU A 155 5.717 -12.678 -6.526 1.00 11.52 H new ATOM 0 HD21 LEU A 155 4.663 -12.224 -3.688 1.00 4.40 H new ATOM 0 HD22 LEU A 155 5.429 -10.966 -4.687 1.00 4.40 H new ATOM 0 HD23 LEU A 155 3.806 -10.697 -4.008 1.00 4.40 H new ATOM 2162 N GLN A 156 1.869 -8.741 -8.223 1.00 1.24 N ATOM 2163 CA GLN A 156 1.784 -7.683 -9.201 1.00 44.03 C ATOM 2164 C GLN A 156 1.272 -6.401 -8.556 1.00 12.42 C ATOM 2165 O GLN A 156 1.710 -5.305 -8.900 1.00 42.14 O ATOM 2166 CB GLN A 156 0.922 -8.078 -10.391 1.00 42.23 C ATOM 2167 CG GLN A 156 1.416 -9.296 -11.133 1.00 42.32 C ATOM 2168 CD GLN A 156 0.770 -9.433 -12.477 1.00 22.23 C ATOM 2169 OE1 GLN A 156 -0.281 -10.065 -12.636 1.00 43.34 O ATOM 2170 NE2 GLN A 156 1.386 -8.826 -13.462 1.00 60.23 N ATOM 0 H GLN A 156 1.203 -9.502 -8.358 1.00 1.24 H new ATOM 0 HA GLN A 156 2.790 -7.503 -9.581 1.00 44.03 H new ATOM 0 HB2 GLN A 156 -0.094 -8.265 -10.044 1.00 42.23 H new ATOM 0 HB3 GLN A 156 0.873 -7.239 -11.085 1.00 42.23 H new ATOM 0 HG2 GLN A 156 2.497 -9.233 -11.255 1.00 42.32 H new ATOM 0 HG3 GLN A 156 1.214 -10.188 -10.541 1.00 42.32 H new ATOM 0 HE21 GLN A 156 2.251 -8.316 -13.285 1.00 60.23 H new ATOM 0 HE22 GLN A 156 1.000 -8.864 -14.405 1.00 60.23 H new ATOM 2179 N PHE A 157 0.355 -6.550 -7.602 1.00 20.33 N ATOM 2180 CA PHE A 157 -0.167 -5.424 -6.836 1.00 72.33 C ATOM 2181 C PHE A 157 0.976 -4.737 -6.089 1.00 70.01 C ATOM 2182 O PHE A 157 1.036 -3.508 -6.015 1.00 61.51 O ATOM 2183 CB PHE A 157 -1.264 -5.904 -5.859 1.00 63.04 C ATOM 2184 CG PHE A 157 -1.874 -4.818 -4.998 1.00 30.32 C ATOM 2185 CD1 PHE A 157 -2.675 -3.841 -5.563 1.00 45.04 C ATOM 2186 CD2 PHE A 157 -1.660 -4.790 -3.620 1.00 35.51 C ATOM 2187 CE1 PHE A 157 -3.247 -2.856 -4.785 1.00 4.13 C ATOM 2188 CE2 PHE A 157 -2.234 -3.796 -2.834 1.00 44.02 C ATOM 2189 CZ PHE A 157 -3.028 -2.833 -3.421 1.00 65.44 C ATOM 0 H PHE A 157 -0.045 -7.451 -7.340 1.00 20.33 H new ATOM 0 HA PHE A 157 -0.619 -4.701 -7.516 1.00 72.33 H new ATOM 0 HB2 PHE A 157 -2.058 -6.380 -6.434 1.00 63.04 H new ATOM 0 HB3 PHE A 157 -0.840 -6.668 -5.207 1.00 63.04 H new ATOM 0 HD1 PHE A 157 -2.855 -3.850 -6.628 1.00 45.04 H new ATOM 0 HD2 PHE A 157 -1.043 -5.547 -3.159 1.00 35.51 H new ATOM 0 HE1 PHE A 157 -3.868 -2.101 -5.243 1.00 4.13 H new ATOM 0 HE2 PHE A 157 -2.059 -3.778 -1.768 1.00 44.02 H new ATOM 0 HZ PHE A 157 -3.478 -2.061 -2.815 1.00 65.44 H new ATOM 2199 N CYS A 158 1.896 -5.549 -5.572 1.00 44.50 N ATOM 2200 CA CYS A 158 3.067 -5.051 -4.876 1.00 2.11 C ATOM 2201 C CYS A 158 3.911 -4.191 -5.826 1.00 62.24 C ATOM 2202 O CYS A 158 4.323 -3.079 -5.479 1.00 32.14 O ATOM 2203 CB CYS A 158 3.909 -6.219 -4.341 1.00 51.21 C ATOM 2204 SG CYS A 158 3.021 -7.355 -3.247 1.00 44.55 S ATOM 0 H CYS A 158 1.846 -6.566 -5.627 1.00 44.50 H new ATOM 0 HA CYS A 158 2.741 -4.441 -4.034 1.00 2.11 H new ATOM 0 HB2 CYS A 158 4.301 -6.783 -5.187 1.00 51.21 H new ATOM 0 HB3 CYS A 158 4.766 -5.814 -3.803 1.00 51.21 H new ATOM 0 HG CYS A 158 1.884 -7.678 -3.788 1.00 44.55 H new ATOM 2210 N VAL A 159 4.125 -4.702 -7.035 1.00 11.14 N ATOM 2211 CA VAL A 159 4.916 -4.019 -8.056 1.00 24.43 C ATOM 2212 C VAL A 159 4.305 -2.658 -8.413 1.00 34.25 C ATOM 2213 O VAL A 159 5.018 -1.646 -8.493 1.00 55.25 O ATOM 2214 CB VAL A 159 5.030 -4.877 -9.348 1.00 62.53 C ATOM 2215 CG1 VAL A 159 5.855 -4.167 -10.409 1.00 1.12 C ATOM 2216 CG2 VAL A 159 5.632 -6.237 -9.042 1.00 2.15 C ATOM 0 H VAL A 159 3.754 -5.603 -7.336 1.00 11.14 H new ATOM 0 HA VAL A 159 5.911 -3.867 -7.637 1.00 24.43 H new ATOM 0 HB VAL A 159 4.022 -5.020 -9.737 1.00 62.53 H new ATOM 0 HG11 VAL A 159 5.917 -4.792 -11.300 1.00 1.12 H new ATOM 0 HG12 VAL A 159 5.382 -3.218 -10.663 1.00 1.12 H new ATOM 0 HG13 VAL A 159 6.858 -3.981 -10.026 1.00 1.12 H new ATOM 0 HG21 VAL A 159 5.702 -6.819 -9.961 1.00 2.15 H new ATOM 0 HG22 VAL A 159 6.628 -6.107 -8.618 1.00 2.15 H new ATOM 0 HG23 VAL A 159 4.999 -6.762 -8.327 1.00 2.15 H new ATOM 2226 N GLU A 160 2.989 -2.632 -8.584 1.00 61.21 N ATOM 2227 CA GLU A 160 2.280 -1.415 -8.982 1.00 12.44 C ATOM 2228 C GLU A 160 2.376 -0.321 -7.930 1.00 31.34 C ATOM 2229 O GLU A 160 2.401 0.863 -8.255 1.00 73.15 O ATOM 2230 CB GLU A 160 0.834 -1.712 -9.338 1.00 73.50 C ATOM 2231 CG GLU A 160 0.689 -2.730 -10.459 1.00 41.33 C ATOM 2232 CD GLU A 160 1.391 -2.325 -11.745 1.00 22.52 C ATOM 2233 OE1 GLU A 160 2.602 -2.605 -11.895 1.00 33.41 O ATOM 2234 OE2 GLU A 160 0.732 -1.764 -12.637 1.00 75.41 O ATOM 0 H GLU A 160 2.385 -3.444 -8.453 1.00 61.21 H new ATOM 0 HA GLU A 160 2.776 -1.038 -9.876 1.00 12.44 H new ATOM 0 HB2 GLU A 160 0.317 -2.081 -8.452 1.00 73.50 H new ATOM 0 HB3 GLU A 160 0.341 -0.785 -9.632 1.00 73.50 H new ATOM 0 HG2 GLU A 160 1.088 -3.687 -10.123 1.00 41.33 H new ATOM 0 HG3 GLU A 160 -0.370 -2.882 -10.666 1.00 41.33 H new ATOM 2241 N VAL A 161 2.441 -0.706 -6.681 1.00 61.31 N ATOM 2242 CA VAL A 161 2.625 0.272 -5.631 1.00 52.21 C ATOM 2243 C VAL A 161 4.081 0.729 -5.630 1.00 45.21 C ATOM 2244 O VAL A 161 4.373 1.928 -5.518 1.00 14.23 O ATOM 2245 CB VAL A 161 2.255 -0.295 -4.234 1.00 12.13 C ATOM 2246 CG1 VAL A 161 2.457 0.754 -3.142 1.00 12.54 C ATOM 2247 CG2 VAL A 161 0.820 -0.803 -4.219 1.00 10.54 C ATOM 0 H VAL A 161 2.371 -1.674 -6.366 1.00 61.31 H new ATOM 0 HA VAL A 161 1.959 1.112 -5.829 1.00 52.21 H new ATOM 0 HB VAL A 161 2.922 -1.132 -4.030 1.00 12.13 H new ATOM 0 HG11 VAL A 161 2.190 0.328 -2.175 1.00 12.54 H new ATOM 0 HG12 VAL A 161 3.501 1.066 -3.125 1.00 12.54 H new ATOM 0 HG13 VAL A 161 1.824 1.618 -3.346 1.00 12.54 H new ATOM 0 HG21 VAL A 161 0.583 -1.196 -3.230 1.00 10.54 H new ATOM 0 HG22 VAL A 161 0.141 0.016 -4.456 1.00 10.54 H new ATOM 0 HG23 VAL A 161 0.706 -1.594 -4.960 1.00 10.54 H new ATOM 2257 N SER A 162 4.983 -0.237 -5.817 1.00 74.34 N ATOM 2258 CA SER A 162 6.411 -0.011 -5.776 1.00 11.35 C ATOM 2259 C SER A 162 6.908 1.095 -6.716 1.00 71.23 C ATOM 2260 O SER A 162 7.747 1.885 -6.314 1.00 10.34 O ATOM 2261 CB SER A 162 7.157 -1.312 -6.013 1.00 52.44 C ATOM 2262 OG SER A 162 6.819 -2.264 -5.011 1.00 4.54 O ATOM 0 H SER A 162 4.729 -1.207 -6.003 1.00 74.34 H new ATOM 0 HA SER A 162 6.627 0.357 -4.773 1.00 11.35 H new ATOM 0 HB2 SER A 162 6.909 -1.707 -6.998 1.00 52.44 H new ATOM 0 HB3 SER A 162 8.232 -1.130 -6.004 1.00 52.44 H new ATOM 0 HG SER A 162 5.874 -2.510 -5.098 1.00 4.54 H new ATOM 2268 N LYS A 163 6.384 1.191 -7.948 1.00 15.41 N ATOM 2269 CA LYS A 163 6.903 2.235 -8.841 1.00 14.14 C ATOM 2270 C LYS A 163 6.512 3.632 -8.381 1.00 3.43 C ATOM 2271 O LYS A 163 7.340 4.541 -8.418 1.00 21.31 O ATOM 2272 CB LYS A 163 6.601 2.063 -10.369 1.00 14.13 C ATOM 2273 CG LYS A 163 5.133 2.128 -10.812 1.00 13.14 C ATOM 2274 CD LYS A 163 4.373 0.847 -10.551 1.00 51.20 C ATOM 2275 CE LYS A 163 4.877 -0.301 -11.418 1.00 12.03 C ATOM 2276 NZ LYS A 163 4.662 -0.051 -12.861 1.00 72.22 N ATOM 0 H LYS A 163 5.647 0.598 -8.331 1.00 15.41 H new ATOM 0 HA LYS A 163 7.982 2.104 -8.754 1.00 14.14 H new ATOM 0 HB2 LYS A 163 7.150 2.834 -10.909 1.00 14.13 H new ATOM 0 HB3 LYS A 163 7.006 1.102 -10.686 1.00 14.13 H new ATOM 0 HG2 LYS A 163 4.639 2.948 -10.291 1.00 13.14 H new ATOM 0 HG3 LYS A 163 5.092 2.356 -11.877 1.00 13.14 H new ATOM 0 HD2 LYS A 163 4.468 0.576 -9.499 1.00 51.20 H new ATOM 0 HD3 LYS A 163 3.312 1.009 -10.744 1.00 51.20 H new ATOM 0 HE2 LYS A 163 5.940 -0.454 -11.232 1.00 12.03 H new ATOM 0 HE3 LYS A 163 4.368 -1.221 -11.131 1.00 12.03 H new ATOM 0 HZ1 LYS A 163 4.795 -0.936 -13.390 1.00 72.22 H new ATOM 0 HZ2 LYS A 163 3.695 0.301 -13.012 1.00 72.22 H new ATOM 0 HZ3 LYS A 163 5.345 0.659 -13.196 1.00 72.22 H new ATOM 2290 N GLU A 164 5.278 3.791 -7.906 1.00 74.42 N ATOM 2291 CA GLU A 164 4.793 5.109 -7.513 1.00 45.12 C ATOM 2292 C GLU A 164 5.493 5.579 -6.253 1.00 61.11 C ATOM 2293 O GLU A 164 5.990 6.697 -6.189 1.00 12.11 O ATOM 2294 CB GLU A 164 3.286 5.107 -7.265 1.00 4.54 C ATOM 2295 CG GLU A 164 2.730 6.513 -7.034 1.00 62.42 C ATOM 2296 CD GLU A 164 1.262 6.540 -6.704 1.00 11.41 C ATOM 2297 OE1 GLU A 164 0.426 6.416 -7.629 1.00 52.31 O ATOM 2298 OE2 GLU A 164 0.922 6.703 -5.514 1.00 4.25 O ATOM 0 H GLU A 164 4.605 3.034 -7.786 1.00 74.42 H new ATOM 0 HA GLU A 164 5.012 5.787 -8.338 1.00 45.12 H new ATOM 0 HB2 GLU A 164 2.781 4.656 -8.119 1.00 4.54 H new ATOM 0 HB3 GLU A 164 3.064 4.485 -6.398 1.00 4.54 H new ATOM 0 HG2 GLU A 164 3.284 6.984 -6.222 1.00 62.42 H new ATOM 0 HG3 GLU A 164 2.903 7.113 -7.927 1.00 62.42 H new ATOM 2305 N ILE A 165 5.549 4.707 -5.267 1.00 23.01 N ATOM 2306 CA ILE A 165 6.116 5.045 -3.977 1.00 61.22 C ATOM 2307 C ILE A 165 7.622 5.368 -4.137 1.00 52.10 C ATOM 2308 O ILE A 165 8.134 6.316 -3.529 1.00 45.14 O ATOM 2309 CB ILE A 165 5.810 3.882 -2.935 1.00 32.21 C ATOM 2310 CG1 ILE A 165 6.095 4.254 -1.450 1.00 14.25 C ATOM 2311 CG2 ILE A 165 6.531 2.589 -3.299 1.00 24.20 C ATOM 2312 CD1 ILE A 165 7.553 4.366 -1.060 1.00 24.24 C ATOM 0 H ILE A 165 5.205 3.749 -5.336 1.00 23.01 H new ATOM 0 HA ILE A 165 5.653 5.945 -3.573 1.00 61.22 H new ATOM 0 HB ILE A 165 4.734 3.728 -3.011 1.00 32.21 H new ATOM 0 HG12 ILE A 165 5.608 5.205 -1.235 1.00 14.25 H new ATOM 0 HG13 ILE A 165 5.626 3.505 -0.812 1.00 14.25 H new ATOM 0 HG21 ILE A 165 6.295 1.821 -2.562 1.00 24.20 H new ATOM 0 HG22 ILE A 165 6.207 2.257 -4.285 1.00 24.20 H new ATOM 0 HG23 ILE A 165 7.607 2.763 -3.310 1.00 24.20 H new ATOM 0 HD11 ILE A 165 7.628 4.629 -0.005 1.00 24.24 H new ATOM 0 HD12 ILE A 165 8.050 3.411 -1.232 1.00 24.24 H new ATOM 0 HD13 ILE A 165 8.032 5.138 -1.662 1.00 24.24 H new ATOM 2324 N ASP A 166 8.282 4.621 -5.017 1.00 53.54 N ATOM 2325 CA ASP A 166 9.710 4.808 -5.321 1.00 41.14 C ATOM 2326 C ASP A 166 9.993 6.206 -5.877 1.00 73.01 C ATOM 2327 O ASP A 166 10.832 6.936 -5.347 1.00 14.02 O ATOM 2328 CB ASP A 166 10.158 3.732 -6.326 1.00 22.01 C ATOM 2329 CG ASP A 166 11.571 3.894 -6.837 1.00 65.01 C ATOM 2330 OD1 ASP A 166 12.514 3.572 -6.105 1.00 74.23 O ATOM 2331 OD2 ASP A 166 11.743 4.323 -8.017 1.00 52.23 O ATOM 0 H ASP A 166 7.846 3.865 -5.545 1.00 53.54 H new ATOM 0 HA ASP A 166 10.276 4.708 -4.395 1.00 41.14 H new ATOM 0 HB2 ASP A 166 10.067 2.753 -5.855 1.00 22.01 H new ATOM 0 HB3 ASP A 166 9.476 3.741 -7.176 1.00 22.01 H new ATOM 2336 N GLU A 167 9.250 6.599 -6.899 1.00 22.15 N ATOM 2337 CA GLU A 167 9.466 7.892 -7.541 1.00 73.32 C ATOM 2338 C GLU A 167 8.960 9.042 -6.681 1.00 31.24 C ATOM 2339 O GLU A 167 9.535 10.144 -6.688 1.00 62.43 O ATOM 2340 CB GLU A 167 8.822 7.939 -8.936 1.00 55.01 C ATOM 2341 CG GLU A 167 7.329 7.659 -8.935 1.00 54.44 C ATOM 2342 CD GLU A 167 6.695 7.823 -10.281 1.00 71.44 C ATOM 2343 OE1 GLU A 167 6.688 6.853 -11.075 1.00 74.13 O ATOM 2344 OE2 GLU A 167 6.185 8.923 -10.562 1.00 65.22 O ATOM 0 H GLU A 167 8.494 6.046 -7.303 1.00 22.15 H new ATOM 0 HA GLU A 167 10.543 8.012 -7.657 1.00 73.32 H new ATOM 0 HB2 GLU A 167 8.997 8.922 -9.373 1.00 55.01 H new ATOM 0 HB3 GLU A 167 9.318 7.212 -9.579 1.00 55.01 H new ATOM 0 HG2 GLU A 167 7.157 6.642 -8.582 1.00 54.44 H new ATOM 0 HG3 GLU A 167 6.841 8.329 -8.227 1.00 54.44 H new ATOM 2351 N HIS A 168 7.905 8.783 -5.921 1.00 23.22 N ATOM 2352 CA HIS A 168 7.281 9.808 -5.104 1.00 34.40 C ATOM 2353 C HIS A 168 8.231 10.240 -3.984 1.00 4.02 C ATOM 2354 O HIS A 168 8.259 11.407 -3.606 1.00 73.44 O ATOM 2355 CB HIS A 168 5.935 9.306 -4.533 1.00 60.04 C ATOM 2356 CG HIS A 168 5.052 10.379 -3.950 1.00 51.32 C ATOM 2357 ND1 HIS A 168 3.920 10.832 -4.585 1.00 54.25 N ATOM 2358 CD2 HIS A 168 5.125 11.072 -2.788 1.00 0.30 C ATOM 2359 CE1 HIS A 168 3.341 11.754 -3.850 1.00 35.45 C ATOM 2360 NE2 HIS A 168 4.052 11.923 -2.752 1.00 64.22 N ATOM 0 H HIS A 168 7.463 7.866 -5.855 1.00 23.22 H new ATOM 0 HA HIS A 168 7.072 10.677 -5.729 1.00 34.40 H new ATOM 0 HB2 HIS A 168 5.388 8.797 -5.327 1.00 60.04 H new ATOM 0 HB3 HIS A 168 6.139 8.565 -3.761 1.00 60.04 H new ATOM 0 HD2 HIS A 168 5.888 10.972 -2.030 1.00 0.30 H new ATOM 0 HE1 HIS A 168 2.435 12.285 -4.102 1.00 35.45 H new ATOM 0 HE2 HIS A 168 3.838 12.579 -2.000 1.00 64.22 H new ATOM 2369 N LEU A 169 9.016 9.302 -3.467 1.00 21.14 N ATOM 2370 CA LEU A 169 9.988 9.635 -2.425 1.00 60.34 C ATOM 2371 C LEU A 169 11.198 10.340 -3.001 1.00 61.44 C ATOM 2372 O LEU A 169 11.882 11.068 -2.309 1.00 23.21 O ATOM 2373 CB LEU A 169 10.440 8.416 -1.631 1.00 31.34 C ATOM 2374 CG LEU A 169 9.395 7.693 -0.794 1.00 22.30 C ATOM 2375 CD1 LEU A 169 10.053 6.555 -0.042 1.00 74.43 C ATOM 2376 CD2 LEU A 169 8.720 8.651 0.179 1.00 10.31 C ATOM 0 H LEU A 169 9.003 8.320 -3.744 1.00 21.14 H new ATOM 0 HA LEU A 169 9.471 10.308 -1.741 1.00 60.34 H new ATOM 0 HB2 LEU A 169 10.865 7.697 -2.332 1.00 31.34 H new ATOM 0 HB3 LEU A 169 11.246 8.728 -0.966 1.00 31.34 H new ATOM 0 HG LEU A 169 8.627 7.294 -1.457 1.00 22.30 H new ATOM 0 HD11 LEU A 169 9.306 6.036 0.558 1.00 74.43 H new ATOM 0 HD12 LEU A 169 10.496 5.857 -0.753 1.00 74.43 H new ATOM 0 HD13 LEU A 169 10.831 6.952 0.610 1.00 74.43 H new ATOM 0 HD21 LEU A 169 7.977 8.110 0.766 1.00 10.31 H new ATOM 0 HD22 LEU A 169 9.468 9.079 0.846 1.00 10.31 H new ATOM 0 HD23 LEU A 169 8.231 9.450 -0.378 1.00 10.31 H new ATOM 2388 N LEU A 170 11.466 10.116 -4.262 1.00 40.43 N ATOM 2389 CA LEU A 170 12.595 10.755 -4.924 1.00 45.20 C ATOM 2390 C LEU A 170 12.306 12.206 -5.221 1.00 15.13 C ATOM 2391 O LEU A 170 13.216 13.001 -5.486 1.00 32.15 O ATOM 2392 CB LEU A 170 12.986 10.008 -6.178 1.00 64.52 C ATOM 2393 CG LEU A 170 13.444 8.579 -5.961 1.00 65.42 C ATOM 2394 CD1 LEU A 170 13.788 7.945 -7.284 1.00 13.24 C ATOM 2395 CD2 LEU A 170 14.633 8.534 -4.998 1.00 61.20 C ATOM 0 H LEU A 170 10.921 9.495 -4.860 1.00 40.43 H new ATOM 0 HA LEU A 170 13.442 10.721 -4.239 1.00 45.20 H new ATOM 0 HB2 LEU A 170 12.134 10.000 -6.858 1.00 64.52 H new ATOM 0 HB3 LEU A 170 13.786 10.558 -6.675 1.00 64.52 H new ATOM 0 HG LEU A 170 12.632 8.010 -5.508 1.00 65.42 H new ATOM 0 HD11 LEU A 170 14.116 6.918 -7.121 1.00 13.24 H new ATOM 0 HD12 LEU A 170 12.909 7.947 -7.928 1.00 13.24 H new ATOM 0 HD13 LEU A 170 14.588 8.510 -7.761 1.00 13.24 H new ATOM 0 HD21 LEU A 170 14.947 7.500 -4.855 1.00 61.20 H new ATOM 0 HD22 LEU A 170 15.460 9.110 -5.414 1.00 61.20 H new ATOM 0 HD23 LEU A 170 14.340 8.960 -4.038 1.00 61.20 H new