USER MOD reduce.3.24.130724 H: found=0, std=0, add=951, rem=0, adj=29 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 81 HIS : no HE2:sc= 0.321 K(o=0.21,f=-4.4!) USER MOD Set 1.2: A 156 GLN : amide:sc= -0.114 K(o=0.21,f=-0.93) USER MOD Set 2.1: A 103 THR OG1 : rot 180:sc= -0.0774 USER MOD Set 2.2: A 121 THR OG1 : rot -151:sc= -1.13 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -139:sc= 1.28 (180deg=0.903) USER MOD Single : A 40 HIS : no HE2:sc= 0.0289 K(o=0.029,f=-5!) USER MOD Single : A 41 HIS : no HD1:sc= -1.05 K(o=-1,f=-1.8!) USER MOD Single : A 70 THR OG1 : rot -26:sc= 0.144 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN :FLIP amide:sc= -0.335 F(o=-1,f=-0.34) USER MOD Single : A 79 TYR OH : rot -19:sc= -0.0791 USER MOD Single : A 86 LYS NZ :NH3+ 164:sc= -0.041 (180deg=-0.26) USER MOD Single : A 89 LYS NZ :NH3+ 179:sc= 1.31 (180deg=1.25) USER MOD Single : A 99 LYS NZ :NH3+ 164:sc= 2.21 (180deg=1.27) USER MOD Single : A 100 ASN : amide:sc= -1.43 K(o=-1.4,f=-4.1!) USER MOD Single : A 112 MET CE :methyl 137:sc= -3.44! (180deg=-9.57!) USER MOD Single : A 113 LYS NZ :NH3+ 172:sc= -0.0118 (180deg=-0.13) USER MOD Single : A 115 TYR OH : rot 1:sc= 0.644 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 1.03 (180deg=1.03) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.0559 X(o=-0.056,f=-0.26) USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 LYS NZ :NH3+ 156:sc= 1.2 (180deg=0.763) USER MOD Single : A 133 SER OG : rot -1:sc= 0.822 USER MOD Single : A 136 HIS : no HE2:sc= 0.771 K(o=0.77,f=-5.2!) USER MOD Single : A 138 HIS : no HD1:sc= 1.1 K(o=1.1,f=-4!) USER MOD Single : A 141 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 LYS NZ :NH3+ -121:sc= 0.897 (180deg=-0.502) USER MOD Single : A 145 SER OG : rot -4:sc= 0.871 USER MOD Single : A 150 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 153 THR OG1 : rot -27:sc= 0.337 USER MOD Single : A 158 CYS SG : rot 67:sc= -1.21! USER MOD Single : A 162 SER OG : rot 87:sc= 1.15 USER MOD Single : A 163 LYS NZ :NH3+ 167:sc= 1.2 (180deg=1.06) USER MOD Single : A 168 HIS : no HD1:sc= -0.0361 X(o=-0.036,f=-0.39) USER MOD ----------------------------------------------------------------- ATOM 62 N LEU A 22 -6.320 -22.689 5.291 1.00 44.50 N ATOM 63 CA LEU A 22 -6.185 -21.979 3.984 1.00 44.24 C ATOM 64 C LEU A 22 -5.446 -20.630 4.127 1.00 50.22 C ATOM 65 O LEU A 22 -5.692 -19.677 3.367 1.00 22.11 O ATOM 66 CB LEU A 22 -7.566 -21.735 3.385 1.00 13.22 C ATOM 67 CG LEU A 22 -8.339 -22.964 2.929 1.00 64.51 C ATOM 68 CD1 LEU A 22 -9.703 -22.552 2.437 1.00 41.35 C ATOM 69 CD2 LEU A 22 -7.582 -23.688 1.820 1.00 23.44 C ATOM 0 HA LEU A 22 -5.593 -22.617 3.327 1.00 44.24 H new ATOM 0 HB2 LEU A 22 -8.169 -21.208 4.124 1.00 13.22 H new ATOM 0 HB3 LEU A 22 -7.453 -21.067 2.531 1.00 13.22 H new ATOM 0 HG LEU A 22 -8.450 -23.644 3.774 1.00 64.51 H new ATOM 0 HD11 LEU A 22 -10.254 -23.434 2.111 1.00 41.35 H new ATOM 0 HD12 LEU A 22 -10.248 -22.061 3.244 1.00 41.35 H new ATOM 0 HD13 LEU A 22 -9.595 -21.862 1.600 1.00 41.35 H new ATOM 0 HD21 LEU A 22 -8.148 -24.565 1.505 1.00 23.44 H new ATOM 0 HD22 LEU A 22 -7.450 -23.017 0.971 1.00 23.44 H new ATOM 0 HD23 LEU A 22 -6.606 -24.001 2.190 1.00 23.44 H new ATOM 81 N VAL A 23 -4.518 -20.582 5.048 1.00 10.12 N ATOM 82 CA VAL A 23 -3.749 -19.414 5.324 1.00 51.25 C ATOM 83 C VAL A 23 -2.745 -19.197 4.235 1.00 22.14 C ATOM 84 O VAL A 23 -1.984 -20.112 3.863 1.00 41.41 O ATOM 85 CB VAL A 23 -3.008 -19.536 6.669 1.00 33.41 C ATOM 86 CG1 VAL A 23 -2.253 -18.243 7.021 1.00 11.41 C ATOM 87 CG2 VAL A 23 -3.984 -19.908 7.749 1.00 41.45 C ATOM 0 H VAL A 23 -4.277 -21.379 5.637 1.00 10.12 H new ATOM 0 HA VAL A 23 -4.435 -18.569 5.378 1.00 51.25 H new ATOM 0 HB VAL A 23 -2.259 -20.323 6.582 1.00 33.41 H new ATOM 0 HG11 VAL A 23 -1.743 -18.368 7.976 1.00 11.41 H new ATOM 0 HG12 VAL A 23 -1.520 -18.027 6.244 1.00 11.41 H new ATOM 0 HG13 VAL A 23 -2.960 -17.417 7.093 1.00 11.41 H new ATOM 0 HG21 VAL A 23 -3.459 -19.994 8.700 1.00 41.45 H new ATOM 0 HG22 VAL A 23 -4.752 -19.138 7.827 1.00 41.45 H new ATOM 0 HG23 VAL A 23 -4.451 -20.862 7.505 1.00 41.45 H new ATOM 97 N GLY A 24 -2.760 -18.032 3.723 1.00 24.42 N ATOM 98 CA GLY A 24 -1.838 -17.634 2.730 1.00 63.24 C ATOM 99 C GLY A 24 -1.000 -16.527 3.264 1.00 43.03 C ATOM 100 O GLY A 24 -1.515 -15.488 3.629 1.00 21.14 O ATOM 0 H GLY A 24 -3.428 -17.308 3.986 1.00 24.42 H new ATOM 0 HA2 GLY A 24 -1.209 -18.476 2.440 1.00 63.24 H new ATOM 0 HA3 GLY A 24 -2.367 -17.308 1.834 1.00 63.24 H new ATOM 104 N LYS A 25 0.256 -16.745 3.360 1.00 53.11 N ATOM 105 CA LYS A 25 1.121 -15.767 3.856 1.00 52.24 C ATOM 106 C LYS A 25 2.274 -15.660 2.896 1.00 65.35 C ATOM 107 O LYS A 25 2.793 -16.684 2.447 1.00 3.42 O ATOM 108 CB LYS A 25 1.638 -16.193 5.210 1.00 33.35 C ATOM 109 CG LYS A 25 2.406 -15.108 5.887 1.00 30.21 C ATOM 110 CD LYS A 25 3.190 -15.605 7.085 1.00 22.44 C ATOM 111 CE LYS A 25 4.251 -16.595 6.644 1.00 20.22 C ATOM 112 NZ LYS A 25 5.122 -17.027 7.750 1.00 12.24 N ATOM 0 H LYS A 25 0.709 -17.618 3.092 1.00 53.11 H new ATOM 0 HA LYS A 25 0.607 -14.811 3.958 1.00 52.24 H new ATOM 0 HB2 LYS A 25 0.800 -16.490 5.840 1.00 33.35 H new ATOM 0 HB3 LYS A 25 2.276 -17.069 5.094 1.00 33.35 H new ATOM 0 HG2 LYS A 25 3.092 -14.654 5.172 1.00 30.21 H new ATOM 0 HG3 LYS A 25 1.717 -14.327 6.208 1.00 30.21 H new ATOM 0 HD2 LYS A 25 3.658 -14.764 7.597 1.00 22.44 H new ATOM 0 HD3 LYS A 25 2.516 -16.078 7.799 1.00 22.44 H new ATOM 0 HE2 LYS A 25 3.767 -17.468 6.206 1.00 20.22 H new ATOM 0 HE3 LYS A 25 4.861 -16.143 5.862 1.00 20.22 H new ATOM 0 HZ1 LYS A 25 5.828 -17.702 7.393 1.00 12.24 H new ATOM 0 HZ2 LYS A 25 5.607 -16.200 8.153 1.00 12.24 H new ATOM 0 HZ3 LYS A 25 4.547 -17.484 8.486 1.00 12.24 H new ATOM 126 N LEU A 26 2.666 -14.467 2.569 1.00 5.24 N ATOM 127 CA LEU A 26 3.755 -14.282 1.650 1.00 41.44 C ATOM 128 C LEU A 26 4.590 -13.083 2.093 1.00 33.25 C ATOM 129 O LEU A 26 4.052 -12.109 2.618 1.00 11.03 O ATOM 130 CB LEU A 26 3.169 -14.121 0.210 1.00 4.04 C ATOM 131 CG LEU A 26 4.134 -14.077 -1.004 1.00 22.23 C ATOM 132 CD1 LEU A 26 3.336 -14.238 -2.275 1.00 45.11 C ATOM 133 CD2 LEU A 26 4.894 -12.766 -1.086 1.00 42.22 C ATOM 0 H LEU A 26 2.251 -13.605 2.923 1.00 5.24 H new ATOM 0 HA LEU A 26 4.421 -15.145 1.640 1.00 41.44 H new ATOM 0 HB2 LEU A 26 2.474 -14.944 0.046 1.00 4.04 H new ATOM 0 HB3 LEU A 26 2.583 -13.202 0.196 1.00 4.04 H new ATOM 0 HG LEU A 26 4.855 -14.885 -0.878 1.00 22.23 H new ATOM 0 HD11 LEU A 26 4.008 -14.208 -3.133 1.00 45.11 H new ATOM 0 HD12 LEU A 26 2.813 -15.194 -2.257 1.00 45.11 H new ATOM 0 HD13 LEU A 26 2.610 -13.428 -2.354 1.00 45.11 H new ATOM 0 HD21 LEU A 26 5.556 -12.783 -1.952 1.00 42.22 H new ATOM 0 HD22 LEU A 26 4.188 -11.942 -1.186 1.00 42.22 H new ATOM 0 HD23 LEU A 26 5.484 -12.630 -0.180 1.00 42.22 H new ATOM 145 N GLU A 27 5.884 -13.180 1.917 1.00 64.31 N ATOM 146 CA GLU A 27 6.795 -12.108 2.248 1.00 5.31 C ATOM 147 C GLU A 27 7.699 -11.898 1.060 1.00 62.35 C ATOM 148 O GLU A 27 8.341 -12.845 0.577 1.00 23.31 O ATOM 149 CB GLU A 27 7.591 -12.470 3.523 1.00 33.12 C ATOM 150 CG GLU A 27 8.528 -11.390 4.126 1.00 1.43 C ATOM 151 CD GLU A 27 9.789 -11.070 3.318 1.00 62.14 C ATOM 152 OE1 GLU A 27 10.558 -12.011 3.002 1.00 72.52 O ATOM 153 OE2 GLU A 27 10.072 -9.879 3.057 1.00 63.44 O ATOM 0 H GLU A 27 6.340 -14.010 1.538 1.00 64.31 H new ATOM 0 HA GLU A 27 6.260 -11.183 2.461 1.00 5.31 H new ATOM 0 HB2 GLU A 27 6.876 -12.759 4.293 1.00 33.12 H new ATOM 0 HB3 GLU A 27 8.195 -13.350 3.302 1.00 33.12 H new ATOM 0 HG2 GLU A 27 7.957 -10.470 4.251 1.00 1.43 H new ATOM 0 HG3 GLU A 27 8.831 -11.715 5.122 1.00 1.43 H new ATOM 160 N THR A 28 7.725 -10.705 0.569 1.00 41.33 N ATOM 161 CA THR A 28 8.547 -10.389 -0.543 1.00 43.12 C ATOM 162 C THR A 28 9.222 -9.052 -0.279 1.00 13.34 C ATOM 163 O THR A 28 8.608 -8.119 0.256 1.00 50.12 O ATOM 164 CB THR A 28 7.738 -10.383 -1.901 1.00 12.11 C ATOM 165 OG1 THR A 28 8.623 -10.210 -3.023 1.00 31.44 O ATOM 166 CG2 THR A 28 6.671 -9.286 -1.925 1.00 55.03 C ATOM 0 H THR A 28 7.176 -9.924 0.929 1.00 41.33 H new ATOM 0 HA THR A 28 9.306 -11.163 -0.658 1.00 43.12 H new ATOM 0 HB THR A 28 7.240 -11.350 -1.975 1.00 12.11 H new ATOM 0 HG1 THR A 28 8.103 -10.211 -3.853 1.00 31.44 H new ATOM 0 HG21 THR A 28 6.139 -9.317 -2.876 1.00 55.03 H new ATOM 0 HG22 THR A 28 5.966 -9.446 -1.109 1.00 55.03 H new ATOM 0 HG23 THR A 28 7.147 -8.313 -1.808 1.00 55.03 H new ATOM 174 N ASP A 29 10.478 -8.977 -0.591 1.00 75.43 N ATOM 175 CA ASP A 29 11.228 -7.770 -0.391 1.00 11.11 C ATOM 176 C ASP A 29 11.426 -7.055 -1.699 1.00 73.21 C ATOM 177 O ASP A 29 12.021 -7.586 -2.631 1.00 50.42 O ATOM 178 CB ASP A 29 12.576 -8.050 0.305 1.00 25.42 C ATOM 179 CG ASP A 29 13.478 -9.010 -0.449 1.00 35.21 C ATOM 180 OD1 ASP A 29 13.204 -10.226 -0.434 1.00 34.23 O ATOM 181 OD2 ASP A 29 14.476 -8.580 -1.043 1.00 32.25 O ATOM 0 H ASP A 29 11.014 -9.747 -0.991 1.00 75.43 H new ATOM 0 HA ASP A 29 10.655 -7.121 0.271 1.00 11.11 H new ATOM 0 HB2 ASP A 29 13.104 -7.106 0.443 1.00 25.42 H new ATOM 0 HB3 ASP A 29 12.382 -8.455 1.298 1.00 25.42 H new ATOM 186 N VAL A 30 10.896 -5.884 -1.782 1.00 1.14 N ATOM 187 CA VAL A 30 11.047 -5.072 -2.953 1.00 2.13 C ATOM 188 C VAL A 30 11.978 -3.936 -2.599 1.00 41.03 C ATOM 189 O VAL A 30 11.981 -3.469 -1.461 1.00 31.32 O ATOM 190 CB VAL A 30 9.683 -4.523 -3.479 1.00 62.12 C ATOM 191 CG1 VAL A 30 9.881 -3.712 -4.746 1.00 23.54 C ATOM 192 CG2 VAL A 30 8.720 -5.668 -3.749 1.00 52.32 C ATOM 0 H VAL A 30 10.342 -5.455 -1.040 1.00 1.14 H new ATOM 0 HA VAL A 30 11.457 -5.679 -3.761 1.00 2.13 H new ATOM 0 HB VAL A 30 9.262 -3.875 -2.711 1.00 62.12 H new ATOM 0 HG11 VAL A 30 8.917 -3.340 -5.094 1.00 23.54 H new ATOM 0 HG12 VAL A 30 10.542 -2.870 -4.540 1.00 23.54 H new ATOM 0 HG13 VAL A 30 10.326 -4.343 -5.516 1.00 23.54 H new ATOM 0 HG21 VAL A 30 7.774 -5.269 -4.115 1.00 52.32 H new ATOM 0 HG22 VAL A 30 9.147 -6.334 -4.499 1.00 52.32 H new ATOM 0 HG23 VAL A 30 8.547 -6.223 -2.827 1.00 52.32 H new ATOM 202 N GLU A 31 12.782 -3.526 -3.511 1.00 31.15 N ATOM 203 CA GLU A 31 13.723 -2.496 -3.221 1.00 30.14 C ATOM 204 C GLU A 31 13.217 -1.176 -3.731 1.00 62.33 C ATOM 205 O GLU A 31 12.735 -1.082 -4.865 1.00 74.25 O ATOM 206 CB GLU A 31 15.038 -2.787 -3.882 1.00 44.44 C ATOM 207 CG GLU A 31 15.548 -4.187 -3.673 1.00 64.14 C ATOM 208 CD GLU A 31 16.856 -4.398 -4.344 1.00 70.33 C ATOM 209 OE1 GLU A 31 17.882 -4.086 -3.749 1.00 43.32 O ATOM 210 OE2 GLU A 31 16.881 -4.883 -5.492 1.00 12.14 O ATOM 0 H GLU A 31 12.811 -3.885 -4.465 1.00 31.15 H new ATOM 0 HA GLU A 31 13.856 -2.454 -2.140 1.00 30.14 H new ATOM 0 HB2 GLU A 31 14.939 -2.606 -4.952 1.00 44.44 H new ATOM 0 HB3 GLU A 31 15.782 -2.084 -3.507 1.00 44.44 H new ATOM 0 HG2 GLU A 31 15.650 -4.382 -2.605 1.00 64.14 H new ATOM 0 HG3 GLU A 31 14.821 -4.901 -4.059 1.00 64.14 H new ATOM 217 N ILE A 32 13.315 -0.170 -2.924 1.00 65.03 N ATOM 218 CA ILE A 32 12.976 1.147 -3.350 1.00 25.11 C ATOM 219 C ILE A 32 14.261 1.925 -3.559 1.00 15.34 C ATOM 220 O ILE A 32 15.333 1.533 -3.054 1.00 25.13 O ATOM 221 CB ILE A 32 12.003 1.904 -2.385 1.00 73.41 C ATOM 222 CG1 ILE A 32 12.617 2.120 -0.992 1.00 23.24 C ATOM 223 CG2 ILE A 32 10.672 1.160 -2.283 1.00 52.10 C ATOM 224 CD1 ILE A 32 11.734 2.926 -0.049 1.00 21.31 C ATOM 0 H ILE A 32 13.631 -0.238 -1.956 1.00 65.03 H new ATOM 0 HA ILE A 32 12.420 1.060 -4.283 1.00 25.11 H new ATOM 0 HB ILE A 32 11.825 2.892 -2.809 1.00 73.41 H new ATOM 0 HG12 ILE A 32 12.822 1.149 -0.541 1.00 23.24 H new ATOM 0 HG13 ILE A 32 13.574 2.629 -1.102 1.00 23.24 H new ATOM 0 HG21 ILE A 32 10.005 1.698 -1.609 1.00 52.10 H new ATOM 0 HG22 ILE A 32 10.215 1.095 -3.270 1.00 52.10 H new ATOM 0 HG23 ILE A 32 10.845 0.155 -1.897 1.00 52.10 H new ATOM 0 HD11 ILE A 32 12.235 3.036 0.913 1.00 21.31 H new ATOM 0 HD12 ILE A 32 11.549 3.911 -0.477 1.00 21.31 H new ATOM 0 HD13 ILE A 32 10.785 2.408 0.093 1.00 21.31 H new ATOM 236 N LYS A 33 14.176 2.984 -4.275 1.00 51.43 N ATOM 237 CA LYS A 33 15.320 3.764 -4.635 1.00 2.45 C ATOM 238 C LYS A 33 15.360 5.009 -3.776 1.00 42.40 C ATOM 239 O LYS A 33 16.399 5.672 -3.648 1.00 63.55 O ATOM 240 CB LYS A 33 15.249 4.095 -6.123 1.00 31.40 C ATOM 241 CG LYS A 33 15.119 2.836 -6.975 1.00 74.22 C ATOM 242 CD LYS A 33 15.002 3.127 -8.451 1.00 73.10 C ATOM 243 CE LYS A 33 14.762 1.837 -9.224 1.00 74.43 C ATOM 244 NZ LYS A 33 14.653 2.063 -10.678 1.00 64.23 N ATOM 0 H LYS A 33 13.295 3.348 -4.639 1.00 51.43 H new ATOM 0 HA LYS A 33 16.241 3.208 -4.460 1.00 2.45 H new ATOM 0 HB2 LYS A 33 14.398 4.750 -6.310 1.00 31.40 H new ATOM 0 HB3 LYS A 33 16.144 4.643 -6.417 1.00 31.40 H new ATOM 0 HG2 LYS A 33 15.987 2.198 -6.805 1.00 74.22 H new ATOM 0 HG3 LYS A 33 14.242 2.275 -6.651 1.00 74.22 H new ATOM 0 HD2 LYS A 33 14.182 3.823 -8.628 1.00 73.10 H new ATOM 0 HD3 LYS A 33 15.912 3.609 -8.807 1.00 73.10 H new ATOM 0 HE2 LYS A 33 15.578 1.142 -9.028 1.00 74.43 H new ATOM 0 HE3 LYS A 33 13.848 1.365 -8.863 1.00 74.43 H new ATOM 0 HZ1 LYS A 33 14.490 1.155 -11.159 1.00 64.23 H new ATOM 0 HZ2 LYS A 33 13.858 2.705 -10.871 1.00 64.23 H new ATOM 0 HZ3 LYS A 33 15.534 2.488 -11.030 1.00 64.23 H new ATOM 258 N ALA A 34 14.226 5.324 -3.191 1.00 22.22 N ATOM 259 CA ALA A 34 14.110 6.400 -2.249 1.00 51.11 C ATOM 260 C ALA A 34 14.673 5.961 -0.901 1.00 30.51 C ATOM 261 O ALA A 34 14.942 4.775 -0.684 1.00 2.12 O ATOM 262 CB ALA A 34 12.657 6.817 -2.102 1.00 61.14 C ATOM 0 H ALA A 34 13.350 4.830 -3.363 1.00 22.22 H new ATOM 0 HA ALA A 34 14.678 7.256 -2.612 1.00 51.11 H new ATOM 0 HB1 ALA A 34 12.584 7.634 -1.384 1.00 61.14 H new ATOM 0 HB2 ALA A 34 12.274 7.147 -3.068 1.00 61.14 H new ATOM 0 HB3 ALA A 34 12.069 5.970 -1.748 1.00 61.14 H new ATOM 268 N SER A 35 14.860 6.898 -0.011 1.00 62.45 N ATOM 269 CA SER A 35 15.389 6.587 1.289 1.00 33.24 C ATOM 270 C SER A 35 14.251 6.394 2.283 1.00 53.20 C ATOM 271 O SER A 35 13.270 7.154 2.269 1.00 72.02 O ATOM 272 CB SER A 35 16.319 7.703 1.735 1.00 73.53 C ATOM 273 OG SER A 35 17.346 7.890 0.768 1.00 14.31 O ATOM 0 H SER A 35 14.653 7.885 -0.163 1.00 62.45 H new ATOM 0 HA SER A 35 15.956 5.658 1.242 1.00 33.24 H new ATOM 0 HB2 SER A 35 15.756 8.628 1.865 1.00 73.53 H new ATOM 0 HB3 SER A 35 16.758 7.458 2.702 1.00 73.53 H new ATOM 0 HG SER A 35 17.942 8.612 1.059 1.00 14.31 H new ATOM 279 N ALA A 36 14.387 5.383 3.137 1.00 30.05 N ATOM 280 CA ALA A 36 13.395 5.040 4.153 1.00 41.31 C ATOM 281 C ALA A 36 13.054 6.227 5.042 1.00 4.20 C ATOM 282 O ALA A 36 11.915 6.371 5.483 1.00 14.41 O ATOM 283 CB ALA A 36 13.897 3.881 4.999 1.00 33.42 C ATOM 0 H ALA A 36 15.202 4.769 3.143 1.00 30.05 H new ATOM 0 HA ALA A 36 12.482 4.746 3.635 1.00 41.31 H new ATOM 0 HB1 ALA A 36 13.151 3.632 5.754 1.00 33.42 H new ATOM 0 HB2 ALA A 36 14.072 3.014 4.362 1.00 33.42 H new ATOM 0 HB3 ALA A 36 14.828 4.165 5.489 1.00 33.42 H new ATOM 289 N ASP A 37 14.034 7.084 5.283 1.00 2.13 N ATOM 290 CA ASP A 37 13.822 8.262 6.112 1.00 30.15 C ATOM 291 C ASP A 37 12.750 9.181 5.538 1.00 45.43 C ATOM 292 O ASP A 37 12.050 9.849 6.278 1.00 70.25 O ATOM 293 CB ASP A 37 15.114 9.027 6.400 1.00 35.22 C ATOM 294 CG ASP A 37 14.882 10.214 7.329 1.00 25.12 C ATOM 295 OD1 ASP A 37 14.496 10.001 8.512 1.00 13.45 O ATOM 296 OD2 ASP A 37 15.050 11.374 6.893 1.00 23.24 O ATOM 0 H ASP A 37 14.981 6.987 4.918 1.00 2.13 H new ATOM 0 HA ASP A 37 13.459 7.890 7.070 1.00 30.15 H new ATOM 0 HB2 ASP A 37 15.842 8.352 6.850 1.00 35.22 H new ATOM 0 HB3 ASP A 37 15.543 9.380 5.462 1.00 35.22 H new ATOM 301 N LYS A 38 12.595 9.197 4.218 1.00 54.13 N ATOM 302 CA LYS A 38 11.572 10.033 3.618 1.00 44.15 C ATOM 303 C LYS A 38 10.181 9.524 3.943 1.00 72.44 C ATOM 304 O LYS A 38 9.244 10.302 4.070 1.00 24.13 O ATOM 305 CB LYS A 38 11.758 10.199 2.129 1.00 35.34 C ATOM 306 CG LYS A 38 13.087 10.821 1.779 1.00 71.31 C ATOM 307 CD LYS A 38 13.114 11.313 0.359 1.00 30.23 C ATOM 308 CE LYS A 38 12.194 12.516 0.177 1.00 52.42 C ATOM 309 NZ LYS A 38 12.223 13.051 -1.198 1.00 50.43 N ATOM 0 H LYS A 38 13.152 8.653 3.560 1.00 54.13 H new ATOM 0 HA LYS A 38 11.682 11.023 4.061 1.00 44.15 H new ATOM 0 HB2 LYS A 38 11.677 9.226 1.645 1.00 35.34 H new ATOM 0 HB3 LYS A 38 10.954 10.820 1.733 1.00 35.34 H new ATOM 0 HG2 LYS A 38 13.290 11.651 2.456 1.00 71.31 H new ATOM 0 HG3 LYS A 38 13.881 10.089 1.926 1.00 71.31 H new ATOM 0 HD2 LYS A 38 14.133 11.586 0.085 1.00 30.23 H new ATOM 0 HD3 LYS A 38 12.807 10.511 -0.313 1.00 30.23 H new ATOM 0 HE2 LYS A 38 11.173 12.229 0.430 1.00 52.42 H new ATOM 0 HE3 LYS A 38 12.487 13.301 0.874 1.00 52.42 H new ATOM 0 HZ1 LYS A 38 12.222 14.091 -1.166 1.00 50.43 H new ATOM 0 HZ2 LYS A 38 13.082 12.720 -1.681 1.00 50.43 H new ATOM 0 HZ3 LYS A 38 11.385 12.720 -1.717 1.00 50.43 H new ATOM 323 N PHE A 39 10.066 8.210 4.120 1.00 15.24 N ATOM 324 CA PHE A 39 8.809 7.591 4.520 1.00 45.43 C ATOM 325 C PHE A 39 8.551 8.022 5.965 1.00 41.53 C ATOM 326 O PHE A 39 7.442 8.381 6.349 1.00 62.32 O ATOM 327 CB PHE A 39 8.939 6.053 4.430 1.00 51.42 C ATOM 328 CG PHE A 39 7.653 5.294 4.620 1.00 60.03 C ATOM 329 CD1 PHE A 39 7.132 5.065 5.885 1.00 74.20 C ATOM 330 CD2 PHE A 39 6.971 4.804 3.523 1.00 34.11 C ATOM 331 CE1 PHE A 39 5.953 4.366 6.049 1.00 45.42 C ATOM 332 CE2 PHE A 39 5.790 4.102 3.680 1.00 71.22 C ATOM 333 CZ PHE A 39 5.282 3.885 4.945 1.00 70.33 C ATOM 0 H PHE A 39 10.834 7.552 3.991 1.00 15.24 H new ATOM 0 HA PHE A 39 7.986 7.896 3.873 1.00 45.43 H new ATOM 0 HB2 PHE A 39 9.355 5.795 3.456 1.00 51.42 H new ATOM 0 HB3 PHE A 39 9.655 5.719 5.181 1.00 51.42 H new ATOM 0 HD1 PHE A 39 7.655 5.438 6.753 1.00 74.20 H new ATOM 0 HD2 PHE A 39 7.365 4.971 2.531 1.00 34.11 H new ATOM 0 HE1 PHE A 39 5.557 4.196 7.040 1.00 45.42 H new ATOM 0 HE2 PHE A 39 5.266 3.724 2.814 1.00 71.22 H new ATOM 0 HZ PHE A 39 4.359 3.338 5.070 1.00 70.33 H new ATOM 343 N HIS A 40 9.628 8.018 6.721 1.00 71.14 N ATOM 344 CA HIS A 40 9.681 8.461 8.110 1.00 53.33 C ATOM 345 C HIS A 40 9.210 9.935 8.258 1.00 12.53 C ATOM 346 O HIS A 40 8.726 10.319 9.304 1.00 14.51 O ATOM 347 CB HIS A 40 11.128 8.242 8.628 1.00 43.25 C ATOM 348 CG HIS A 40 11.453 8.726 10.008 1.00 31.42 C ATOM 349 ND1 HIS A 40 12.623 9.386 10.296 1.00 32.20 N ATOM 350 CD2 HIS A 40 10.811 8.588 11.180 1.00 25.22 C ATOM 351 CE1 HIS A 40 12.681 9.632 11.581 1.00 23.34 C ATOM 352 NE2 HIS A 40 11.594 9.159 12.141 1.00 40.42 N ATOM 0 H HIS A 40 10.531 7.694 6.376 1.00 71.14 H new ATOM 0 HA HIS A 40 8.992 7.876 8.718 1.00 53.33 H new ATOM 0 HB2 HIS A 40 11.341 7.174 8.588 1.00 43.25 H new ATOM 0 HB3 HIS A 40 11.811 8.729 7.932 1.00 43.25 H new ATOM 0 HD1 HIS A 40 13.336 9.644 9.614 1.00 32.20 H new ATOM 0 HD2 HIS A 40 9.853 8.113 11.333 1.00 25.22 H new ATOM 0 HE1 HIS A 40 13.487 10.138 12.092 1.00 23.34 H new ATOM 361 N HIS A 41 9.402 10.748 7.214 1.00 32.41 N ATOM 362 CA HIS A 41 8.912 12.158 7.195 1.00 72.21 C ATOM 363 C HIS A 41 7.407 12.282 6.904 1.00 62.30 C ATOM 364 O HIS A 41 6.770 13.223 7.350 1.00 60.03 O ATOM 365 CB HIS A 41 9.679 13.062 6.201 1.00 11.22 C ATOM 366 CG HIS A 41 11.101 13.380 6.561 1.00 3.45 C ATOM 367 ND1 HIS A 41 11.473 14.506 7.253 1.00 71.11 N ATOM 368 CD2 HIS A 41 12.240 12.732 6.293 1.00 41.33 C ATOM 369 CE1 HIS A 41 12.777 14.525 7.389 1.00 12.15 C ATOM 370 NE2 HIS A 41 13.265 13.455 6.813 1.00 32.12 N ATOM 0 H HIS A 41 9.892 10.467 6.364 1.00 32.41 H new ATOM 0 HA HIS A 41 9.104 12.505 8.210 1.00 72.21 H new ATOM 0 HB2 HIS A 41 9.672 12.580 5.223 1.00 11.22 H new ATOM 0 HB3 HIS A 41 9.133 14.000 6.098 1.00 11.22 H new ATOM 0 HD2 HIS A 41 12.329 11.798 5.757 1.00 41.33 H new ATOM 0 HE1 HIS A 41 13.350 15.291 7.890 1.00 12.15 H new ATOM 0 HE2 HIS A 41 14.253 13.206 6.763 1.00 32.12 H new ATOM 778 N THR A 70 -5.081 9.064 10.548 1.00 51.10 N ATOM 779 CA THR A 70 -5.532 8.284 11.665 1.00 34.50 C ATOM 780 C THR A 70 -5.781 6.845 11.239 1.00 31.51 C ATOM 781 O THR A 70 -5.853 6.546 10.040 1.00 73.23 O ATOM 782 CB THR A 70 -6.847 8.882 12.247 1.00 61.12 C ATOM 783 OG1 THR A 70 -7.830 9.026 11.192 1.00 62.24 O ATOM 784 CG2 THR A 70 -6.604 10.242 12.893 1.00 10.24 C ATOM 0 HA THR A 70 -4.756 8.305 12.431 1.00 34.50 H new ATOM 0 HB THR A 70 -7.214 8.197 13.012 1.00 61.12 H new ATOM 0 HG1 THR A 70 -7.373 9.126 10.331 1.00 62.24 H new ATOM 0 HG21 THR A 70 -7.543 10.630 13.288 1.00 10.24 H new ATOM 0 HG22 THR A 70 -5.885 10.136 13.705 1.00 10.24 H new ATOM 0 HG23 THR A 70 -6.211 10.934 12.148 1.00 10.24 H new ATOM 792 N VAL A 71 -5.882 5.961 12.201 1.00 1.43 N ATOM 793 CA VAL A 71 -6.237 4.587 11.939 1.00 31.23 C ATOM 794 C VAL A 71 -7.679 4.555 11.434 1.00 44.23 C ATOM 795 O VAL A 71 -8.551 5.242 11.977 1.00 61.41 O ATOM 796 CB VAL A 71 -6.087 3.705 13.214 1.00 10.40 C ATOM 797 CG1 VAL A 71 -6.512 2.268 12.947 1.00 73.54 C ATOM 798 CG2 VAL A 71 -4.651 3.741 13.723 1.00 55.33 C ATOM 0 H VAL A 71 -5.721 6.172 13.186 1.00 1.43 H new ATOM 0 HA VAL A 71 -5.562 4.177 11.187 1.00 31.23 H new ATOM 0 HB VAL A 71 -6.745 4.116 13.980 1.00 10.40 H new ATOM 0 HG11 VAL A 71 -6.395 1.679 13.857 1.00 73.54 H new ATOM 0 HG12 VAL A 71 -7.556 2.249 12.634 1.00 73.54 H new ATOM 0 HG13 VAL A 71 -5.890 1.845 12.158 1.00 73.54 H new ATOM 0 HG21 VAL A 71 -4.565 3.119 14.614 1.00 55.33 H new ATOM 0 HG22 VAL A 71 -3.982 3.362 12.951 1.00 55.33 H new ATOM 0 HG23 VAL A 71 -4.378 4.767 13.969 1.00 55.33 H new ATOM 808 N GLY A 72 -7.918 3.798 10.395 1.00 52.23 N ATOM 809 CA GLY A 72 -9.225 3.766 9.791 1.00 64.22 C ATOM 810 C GLY A 72 -9.282 4.643 8.559 1.00 72.05 C ATOM 811 O GLY A 72 -10.316 4.737 7.897 1.00 33.22 O ATOM 0 H GLY A 72 -7.226 3.196 9.950 1.00 52.23 H new ATOM 0 HA2 GLY A 72 -9.479 2.741 9.522 1.00 64.22 H new ATOM 0 HA3 GLY A 72 -9.970 4.100 10.513 1.00 64.22 H new ATOM 815 N SER A 73 -8.165 5.285 8.265 1.00 14.11 N ATOM 816 CA SER A 73 -8.037 6.142 7.113 1.00 44.10 C ATOM 817 C SER A 73 -8.157 5.306 5.847 1.00 52.24 C ATOM 818 O SER A 73 -7.527 4.252 5.729 1.00 3.15 O ATOM 819 CB SER A 73 -6.672 6.849 7.165 1.00 34.22 C ATOM 820 OG SER A 73 -6.483 7.791 6.116 1.00 35.42 O ATOM 0 H SER A 73 -7.317 5.222 8.828 1.00 14.11 H new ATOM 0 HA SER A 73 -8.827 6.893 7.112 1.00 44.10 H new ATOM 0 HB2 SER A 73 -6.571 7.359 8.123 1.00 34.22 H new ATOM 0 HB3 SER A 73 -5.881 6.100 7.118 1.00 34.22 H new ATOM 0 HG SER A 73 -5.600 8.207 6.205 1.00 35.42 H new ATOM 826 N ILE A 74 -8.975 5.760 4.926 1.00 12.34 N ATOM 827 CA ILE A 74 -9.177 5.077 3.676 1.00 72.32 C ATOM 828 C ILE A 74 -8.904 6.014 2.521 1.00 60.21 C ATOM 829 O ILE A 74 -9.533 7.072 2.397 1.00 3.31 O ATOM 830 CB ILE A 74 -10.599 4.481 3.576 1.00 61.53 C ATOM 831 CG1 ILE A 74 -10.758 3.393 4.637 1.00 4.44 C ATOM 832 CG2 ILE A 74 -10.864 3.910 2.180 1.00 64.14 C ATOM 833 CD1 ILE A 74 -12.128 2.786 4.702 1.00 3.14 C ATOM 0 H ILE A 74 -9.519 6.617 5.026 1.00 12.34 H new ATOM 0 HA ILE A 74 -8.474 4.246 3.629 1.00 72.32 H new ATOM 0 HB ILE A 74 -11.328 5.273 3.749 1.00 61.53 H new ATOM 0 HG12 ILE A 74 -10.033 2.603 4.441 1.00 4.44 H new ATOM 0 HG13 ILE A 74 -10.514 3.815 5.612 1.00 4.44 H new ATOM 0 HG21 ILE A 74 -11.872 3.498 2.141 1.00 64.14 H new ATOM 0 HG22 ILE A 74 -10.767 4.703 1.438 1.00 64.14 H new ATOM 0 HG23 ILE A 74 -10.142 3.122 1.966 1.00 64.14 H new ATOM 0 HD11 ILE A 74 -12.152 2.024 5.481 1.00 3.14 H new ATOM 0 HD12 ILE A 74 -12.859 3.562 4.930 1.00 3.14 H new ATOM 0 HD13 ILE A 74 -12.370 2.331 3.742 1.00 3.14 H new ATOM 845 N VAL A 75 -7.975 5.631 1.715 1.00 45.43 N ATOM 846 CA VAL A 75 -7.544 6.385 0.562 1.00 40.21 C ATOM 847 C VAL A 75 -7.419 5.395 -0.586 1.00 2.44 C ATOM 848 O VAL A 75 -7.332 4.205 -0.338 1.00 0.42 O ATOM 849 CB VAL A 75 -6.170 7.098 0.856 1.00 64.01 C ATOM 850 CG1 VAL A 75 -5.094 6.101 1.236 1.00 60.53 C ATOM 851 CG2 VAL A 75 -5.710 7.977 -0.306 1.00 0.32 C ATOM 0 H VAL A 75 -7.469 4.754 1.835 1.00 45.43 H new ATOM 0 HA VAL A 75 -8.258 7.170 0.311 1.00 40.21 H new ATOM 0 HB VAL A 75 -6.341 7.754 1.710 1.00 64.01 H new ATOM 0 HG11 VAL A 75 -4.161 6.629 1.431 1.00 60.53 H new ATOM 0 HG12 VAL A 75 -5.399 5.560 2.132 1.00 60.53 H new ATOM 0 HG13 VAL A 75 -4.947 5.395 0.419 1.00 60.53 H new ATOM 0 HG21 VAL A 75 -4.759 8.446 -0.053 1.00 0.32 H new ATOM 0 HG22 VAL A 75 -5.587 7.364 -1.199 1.00 0.32 H new ATOM 0 HG23 VAL A 75 -6.456 8.749 -0.496 1.00 0.32 H new ATOM 861 N PHE A 76 -7.472 5.851 -1.806 1.00 44.01 N ATOM 862 CA PHE A 76 -7.348 4.949 -2.919 1.00 40.40 C ATOM 863 C PHE A 76 -6.265 5.398 -3.853 1.00 54.31 C ATOM 864 O PHE A 76 -6.218 6.570 -4.254 1.00 3.53 O ATOM 865 CB PHE A 76 -8.685 4.778 -3.658 1.00 35.42 C ATOM 866 CG PHE A 76 -9.755 4.198 -2.784 1.00 44.34 C ATOM 867 CD1 PHE A 76 -9.650 2.897 -2.340 1.00 61.20 C ATOM 868 CD2 PHE A 76 -10.849 4.948 -2.397 1.00 15.11 C ATOM 869 CE1 PHE A 76 -10.606 2.345 -1.529 1.00 43.42 C ATOM 870 CE2 PHE A 76 -11.818 4.404 -1.582 1.00 11.22 C ATOM 871 CZ PHE A 76 -11.697 3.096 -1.146 1.00 54.24 C ATOM 0 H PHE A 76 -7.599 6.832 -2.055 1.00 44.01 H new ATOM 0 HA PHE A 76 -7.068 3.972 -2.524 1.00 40.40 H new ATOM 0 HB2 PHE A 76 -9.014 5.746 -4.035 1.00 35.42 H new ATOM 0 HB3 PHE A 76 -8.538 4.132 -4.523 1.00 35.42 H new ATOM 0 HD1 PHE A 76 -8.799 2.302 -2.637 1.00 61.20 H new ATOM 0 HD2 PHE A 76 -10.946 5.969 -2.736 1.00 15.11 H new ATOM 0 HE1 PHE A 76 -10.505 1.324 -1.191 1.00 43.42 H new ATOM 0 HE2 PHE A 76 -12.670 4.997 -1.284 1.00 11.22 H new ATOM 0 HZ PHE A 76 -12.454 2.665 -0.508 1.00 54.24 H new ATOM 881 N TRP A 77 -5.387 4.507 -4.185 1.00 61.52 N ATOM 882 CA TRP A 77 -4.337 4.810 -5.083 1.00 33.32 C ATOM 883 C TRP A 77 -4.629 4.089 -6.389 1.00 2.33 C ATOM 884 O TRP A 77 -5.169 2.971 -6.386 1.00 1.14 O ATOM 885 CB TRP A 77 -2.994 4.355 -4.492 1.00 2.44 C ATOM 886 CG TRP A 77 -1.799 4.845 -5.252 1.00 33.33 C ATOM 887 CD1 TRP A 77 -1.316 4.348 -6.412 1.00 53.52 C ATOM 888 CD2 TRP A 77 -0.932 5.921 -4.882 1.00 34.44 C ATOM 889 NE1 TRP A 77 -0.217 5.064 -6.816 1.00 31.11 N ATOM 890 CE2 TRP A 77 0.047 6.030 -5.884 1.00 55.22 C ATOM 891 CE3 TRP A 77 -0.894 6.809 -3.804 1.00 41.13 C ATOM 892 CZ2 TRP A 77 1.056 6.988 -5.841 1.00 74.34 C ATOM 893 CZ3 TRP A 77 0.107 7.756 -3.760 1.00 32.21 C ATOM 894 CH2 TRP A 77 1.068 7.839 -4.772 1.00 54.24 C ATOM 0 H TRP A 77 -5.384 3.548 -3.836 1.00 61.52 H new ATOM 0 HA TRP A 77 -4.271 5.884 -5.258 1.00 33.32 H new ATOM 0 HB2 TRP A 77 -2.925 4.704 -3.462 1.00 2.44 H new ATOM 0 HB3 TRP A 77 -2.972 3.266 -4.462 1.00 2.44 H new ATOM 0 HD1 TRP A 77 -1.735 3.507 -6.945 1.00 53.52 H new ATOM 0 HE1 TRP A 77 0.316 4.902 -7.671 1.00 31.11 H new ATOM 0 HE3 TRP A 77 -1.635 6.755 -3.020 1.00 41.13 H new ATOM 0 HZ2 TRP A 77 1.800 7.056 -6.621 1.00 74.34 H new ATOM 0 HZ3 TRP A 77 0.149 8.445 -2.930 1.00 32.21 H new ATOM 0 HH2 TRP A 77 1.838 8.594 -4.707 1.00 54.24 H new ATOM 905 N ASN A 78 -4.320 4.722 -7.480 1.00 64.31 N ATOM 906 CA ASN A 78 -4.530 4.138 -8.778 1.00 75.35 C ATOM 907 C ASN A 78 -3.204 3.840 -9.404 1.00 62.14 C ATOM 908 O ASN A 78 -2.323 4.689 -9.418 1.00 71.00 O ATOM 909 CB ASN A 78 -5.327 5.078 -9.692 1.00 24.33 C ATOM 910 CG ASN A 78 -6.715 5.377 -9.173 1.00 74.12 C ATOM 911 OD1 ASN A 78 -7.671 4.581 -9.566 1.00 61.43 O flip ATOM 912 ND2 ASN A 78 -6.922 6.330 -8.425 1.00 11.31 N flip ATOM 0 H ASN A 78 -3.915 5.658 -7.500 1.00 64.31 H new ATOM 0 HA ASN A 78 -5.104 3.220 -8.653 1.00 75.35 H new ATOM 0 HB2 ASN A 78 -4.779 6.014 -9.807 1.00 24.33 H new ATOM 0 HB3 ASN A 78 -5.405 4.631 -10.683 1.00 24.33 H new ATOM 0 HD21 ASN A 78 -6.149 6.931 -8.139 1.00 11.31 H new ATOM 0 HD22 ASN A 78 -7.867 6.520 -8.090 1.00 11.31 H new ATOM 919 N TYR A 79 -3.054 2.662 -9.907 1.00 1.52 N ATOM 920 CA TYR A 79 -1.832 2.281 -10.558 1.00 34.45 C ATOM 921 C TYR A 79 -2.152 1.736 -11.922 1.00 51.13 C ATOM 922 O TYR A 79 -3.180 1.084 -12.106 1.00 13.32 O ATOM 923 CB TYR A 79 -0.995 1.288 -9.705 1.00 23.44 C ATOM 924 CG TYR A 79 -1.674 -0.032 -9.350 1.00 33.52 C ATOM 925 CD1 TYR A 79 -2.503 -0.138 -8.237 1.00 44.32 C ATOM 926 CD2 TYR A 79 -1.470 -1.171 -10.120 1.00 3.30 C ATOM 927 CE1 TYR A 79 -3.109 -1.337 -7.907 1.00 12.14 C ATOM 928 CE2 TYR A 79 -2.069 -2.374 -9.795 1.00 53.55 C ATOM 929 CZ TYR A 79 -2.890 -2.452 -8.688 1.00 54.34 C ATOM 930 OH TYR A 79 -3.495 -3.652 -8.362 1.00 23.12 O ATOM 0 H TYR A 79 -3.767 1.933 -9.883 1.00 1.52 H new ATOM 0 HA TYR A 79 -1.203 3.164 -10.672 1.00 34.45 H new ATOM 0 HB2 TYR A 79 -0.074 1.066 -10.243 1.00 23.44 H new ATOM 0 HB3 TYR A 79 -0.710 1.787 -8.779 1.00 23.44 H new ATOM 0 HD1 TYR A 79 -2.676 0.731 -7.620 1.00 44.32 H new ATOM 0 HD2 TYR A 79 -0.831 -1.115 -10.989 1.00 3.30 H new ATOM 0 HE1 TYR A 79 -3.751 -1.399 -7.041 1.00 12.14 H new ATOM 0 HE2 TYR A 79 -1.895 -3.249 -10.404 1.00 53.55 H new ATOM 0 HH TYR A 79 -3.781 -3.630 -7.425 1.00 23.12 H new ATOM 940 N VAL A 80 -1.304 1.977 -12.875 1.00 74.14 N ATOM 941 CA VAL A 80 -1.592 1.558 -14.220 1.00 52.12 C ATOM 942 C VAL A 80 -0.775 0.347 -14.568 1.00 11.12 C ATOM 943 O VAL A 80 0.457 0.389 -14.591 1.00 44.00 O ATOM 944 CB VAL A 80 -1.317 2.696 -15.240 1.00 30.14 C ATOM 945 CG1 VAL A 80 -1.630 2.250 -16.662 1.00 40.21 C ATOM 946 CG2 VAL A 80 -2.132 3.926 -14.885 1.00 54.11 C ATOM 0 H VAL A 80 -0.413 2.458 -12.752 1.00 74.14 H new ATOM 0 HA VAL A 80 -2.651 1.307 -14.274 1.00 52.12 H new ATOM 0 HB VAL A 80 -0.257 2.944 -15.190 1.00 30.14 H new ATOM 0 HG11 VAL A 80 -1.427 3.068 -17.353 1.00 40.21 H new ATOM 0 HG12 VAL A 80 -1.006 1.394 -16.920 1.00 40.21 H new ATOM 0 HG13 VAL A 80 -2.681 1.968 -16.732 1.00 40.21 H new ATOM 0 HG21 VAL A 80 -1.931 4.717 -15.607 1.00 54.11 H new ATOM 0 HG22 VAL A 80 -3.193 3.678 -14.905 1.00 54.11 H new ATOM 0 HG23 VAL A 80 -1.858 4.268 -13.887 1.00 54.11 H new ATOM 956 N HIS A 81 -1.466 -0.726 -14.841 1.00 13.13 N ATOM 957 CA HIS A 81 -0.851 -1.980 -15.159 1.00 15.53 C ATOM 958 C HIS A 81 -1.567 -2.549 -16.379 1.00 52.44 C ATOM 959 O HIS A 81 -2.793 -2.646 -16.384 1.00 71.51 O ATOM 960 CB HIS A 81 -0.961 -2.910 -13.935 1.00 71.13 C ATOM 961 CG HIS A 81 -0.196 -4.188 -14.036 1.00 60.24 C ATOM 962 ND1 HIS A 81 1.161 -4.254 -13.872 1.00 51.13 N ATOM 963 CD2 HIS A 81 -0.603 -5.445 -14.264 1.00 53.11 C ATOM 964 CE1 HIS A 81 1.561 -5.499 -14.000 1.00 33.30 C ATOM 965 NE2 HIS A 81 0.507 -6.247 -14.236 1.00 21.52 N ATOM 0 H HIS A 81 -2.486 -0.751 -14.848 1.00 13.13 H new ATOM 0 HA HIS A 81 0.207 -1.870 -15.395 1.00 15.53 H new ATOM 0 HB2 HIS A 81 -0.616 -2.368 -13.055 1.00 71.13 H new ATOM 0 HB3 HIS A 81 -2.012 -3.147 -13.772 1.00 71.13 H new ATOM 0 HD1 HIS A 81 1.769 -3.458 -13.680 1.00 51.13 H new ATOM 0 HD2 HIS A 81 -1.619 -5.766 -14.438 1.00 53.11 H new ATOM 0 HE1 HIS A 81 2.580 -5.847 -13.924 1.00 33.30 H new ATOM 974 N ASP A 82 -0.801 -2.866 -17.420 1.00 32.43 N ATOM 975 CA ASP A 82 -1.333 -3.351 -18.722 1.00 4.11 C ATOM 976 C ASP A 82 -2.183 -2.291 -19.389 1.00 21.11 C ATOM 977 O ASP A 82 -3.065 -2.593 -20.190 1.00 74.45 O ATOM 978 CB ASP A 82 -2.145 -4.657 -18.586 1.00 2.54 C ATOM 979 CG ASP A 82 -1.300 -5.846 -18.250 1.00 71.02 C ATOM 980 OD1 ASP A 82 -0.759 -6.482 -19.172 1.00 55.44 O ATOM 981 OD2 ASP A 82 -1.148 -6.166 -17.069 1.00 44.23 O ATOM 0 H ASP A 82 0.217 -2.798 -17.399 1.00 32.43 H new ATOM 0 HA ASP A 82 -0.464 -3.566 -19.344 1.00 4.11 H new ATOM 0 HB2 ASP A 82 -2.902 -4.527 -17.812 1.00 2.54 H new ATOM 0 HB3 ASP A 82 -2.673 -4.847 -19.520 1.00 2.54 H new ATOM 986 N GLY A 83 -1.870 -1.047 -19.113 1.00 33.34 N ATOM 987 CA GLY A 83 -2.584 0.061 -19.710 1.00 41.35 C ATOM 988 C GLY A 83 -3.867 0.417 -18.983 1.00 24.00 C ATOM 989 O GLY A 83 -4.445 1.479 -19.228 1.00 50.03 O ATOM 0 H GLY A 83 -1.122 -0.774 -18.476 1.00 33.34 H new ATOM 0 HA2 GLY A 83 -1.932 0.935 -19.729 1.00 41.35 H new ATOM 0 HA3 GLY A 83 -2.819 -0.184 -20.746 1.00 41.35 H new ATOM 993 N GLU A 84 -4.313 -0.443 -18.086 1.00 21.43 N ATOM 994 CA GLU A 84 -5.525 -0.180 -17.341 1.00 43.21 C ATOM 995 C GLU A 84 -5.194 0.402 -16.012 1.00 73.05 C ATOM 996 O GLU A 84 -4.128 0.125 -15.442 1.00 43.21 O ATOM 997 CB GLU A 84 -6.338 -1.436 -17.108 1.00 71.15 C ATOM 998 CG GLU A 84 -6.809 -2.132 -18.340 1.00 42.33 C ATOM 999 CD GLU A 84 -7.640 -3.342 -17.999 1.00 61.22 C ATOM 1000 OE1 GLU A 84 -8.864 -3.193 -17.831 1.00 54.34 O ATOM 1001 OE2 GLU A 84 -7.084 -4.459 -17.875 1.00 52.14 O ATOM 0 H GLU A 84 -3.855 -1.325 -17.858 1.00 21.43 H new ATOM 0 HA GLU A 84 -6.113 0.517 -17.939 1.00 43.21 H new ATOM 0 HB2 GLU A 84 -5.738 -2.134 -16.524 1.00 71.15 H new ATOM 0 HB3 GLU A 84 -7.207 -1.179 -16.502 1.00 71.15 H new ATOM 0 HG2 GLU A 84 -7.397 -1.444 -18.948 1.00 42.33 H new ATOM 0 HG3 GLU A 84 -5.951 -2.434 -18.940 1.00 42.33 H new ATOM 1008 N ALA A 85 -6.090 1.174 -15.509 1.00 2.55 N ATOM 1009 CA ALA A 85 -5.924 1.762 -14.217 1.00 62.34 C ATOM 1010 C ALA A 85 -6.555 0.864 -13.186 1.00 70.22 C ATOM 1011 O ALA A 85 -7.774 0.623 -13.203 1.00 22.11 O ATOM 1012 CB ALA A 85 -6.538 3.154 -14.165 1.00 70.43 C ATOM 0 H ALA A 85 -6.962 1.420 -15.978 1.00 2.55 H new ATOM 0 HA ALA A 85 -4.860 1.868 -14.007 1.00 62.34 H new ATOM 0 HB1 ALA A 85 -6.397 3.577 -13.170 1.00 70.43 H new ATOM 0 HB2 ALA A 85 -6.054 3.793 -14.903 1.00 70.43 H new ATOM 0 HB3 ALA A 85 -7.604 3.090 -14.384 1.00 70.43 H new ATOM 1018 N LYS A 86 -5.747 0.351 -12.319 1.00 63.14 N ATOM 1019 CA LYS A 86 -6.206 -0.489 -11.263 1.00 25.13 C ATOM 1020 C LYS A 86 -6.366 0.339 -10.017 1.00 12.14 C ATOM 1021 O LYS A 86 -5.703 1.374 -9.868 1.00 15.35 O ATOM 1022 CB LYS A 86 -5.248 -1.662 -10.991 1.00 74.11 C ATOM 1023 CG LYS A 86 -5.250 -2.789 -12.026 1.00 20.12 C ATOM 1024 CD LYS A 86 -4.825 -2.350 -13.399 1.00 63.20 C ATOM 1025 CE LYS A 86 -4.879 -3.505 -14.371 1.00 43.22 C ATOM 1026 NZ LYS A 86 -6.247 -4.026 -14.568 1.00 71.35 N ATOM 0 H LYS A 86 -4.739 0.505 -12.324 1.00 63.14 H new ATOM 0 HA LYS A 86 -7.161 -0.919 -11.564 1.00 25.13 H new ATOM 0 HB2 LYS A 86 -4.235 -1.267 -10.917 1.00 74.11 H new ATOM 0 HB3 LYS A 86 -5.496 -2.089 -10.019 1.00 74.11 H new ATOM 0 HG2 LYS A 86 -4.585 -3.583 -11.686 1.00 20.12 H new ATOM 0 HG3 LYS A 86 -6.252 -3.215 -12.084 1.00 20.12 H new ATOM 0 HD2 LYS A 86 -5.474 -1.546 -13.746 1.00 63.20 H new ATOM 0 HD3 LYS A 86 -3.813 -1.948 -13.360 1.00 63.20 H new ATOM 0 HE2 LYS A 86 -4.476 -3.184 -15.332 1.00 43.22 H new ATOM 0 HE3 LYS A 86 -4.238 -4.309 -14.009 1.00 43.22 H new ATOM 0 HZ1 LYS A 86 -6.274 -4.617 -15.423 1.00 71.35 H new ATOM 0 HZ2 LYS A 86 -6.523 -4.597 -13.744 1.00 71.35 H new ATOM 0 HZ3 LYS A 86 -6.909 -3.231 -14.676 1.00 71.35 H new ATOM 1040 N VAL A 87 -7.210 -0.090 -9.135 1.00 2.03 N ATOM 1041 CA VAL A 87 -7.469 0.646 -7.928 1.00 2.41 C ATOM 1042 C VAL A 87 -7.016 -0.171 -6.737 1.00 11.54 C ATOM 1043 O VAL A 87 -7.196 -1.396 -6.704 1.00 24.12 O ATOM 1044 CB VAL A 87 -8.988 0.973 -7.783 1.00 14.52 C ATOM 1045 CG1 VAL A 87 -9.272 1.802 -6.532 1.00 1.05 C ATOM 1046 CG2 VAL A 87 -9.501 1.686 -9.022 1.00 62.43 C ATOM 0 H VAL A 87 -7.740 -0.957 -9.225 1.00 2.03 H new ATOM 0 HA VAL A 87 -6.918 1.585 -7.973 1.00 2.41 H new ATOM 0 HB VAL A 87 -9.518 0.027 -7.677 1.00 14.52 H new ATOM 0 HG11 VAL A 87 -10.340 2.009 -6.467 1.00 1.05 H new ATOM 0 HG12 VAL A 87 -8.955 1.248 -5.649 1.00 1.05 H new ATOM 0 HG13 VAL A 87 -8.723 2.742 -6.586 1.00 1.05 H new ATOM 0 HG21 VAL A 87 -10.562 1.906 -8.902 1.00 62.43 H new ATOM 0 HG22 VAL A 87 -8.951 2.617 -9.160 1.00 62.43 H new ATOM 0 HG23 VAL A 87 -9.359 1.048 -9.894 1.00 62.43 H new ATOM 1056 N ALA A 88 -6.442 0.489 -5.776 1.00 42.53 N ATOM 1057 CA ALA A 88 -5.986 -0.154 -4.589 1.00 20.10 C ATOM 1058 C ALA A 88 -6.904 0.220 -3.458 1.00 14.31 C ATOM 1059 O ALA A 88 -7.081 1.391 -3.158 1.00 34.22 O ATOM 1060 CB ALA A 88 -4.557 0.270 -4.277 1.00 10.34 C ATOM 0 H ALA A 88 -6.278 1.495 -5.798 1.00 42.53 H new ATOM 0 HA ALA A 88 -5.995 -1.235 -4.726 1.00 20.10 H new ATOM 0 HB1 ALA A 88 -4.220 -0.228 -3.368 1.00 10.34 H new ATOM 0 HB2 ALA A 88 -3.906 -0.008 -5.106 1.00 10.34 H new ATOM 0 HB3 ALA A 88 -4.521 1.350 -4.134 1.00 10.34 H new ATOM 1066 N LYS A 89 -7.512 -0.786 -2.870 1.00 74.35 N ATOM 1067 CA LYS A 89 -8.412 -0.606 -1.777 1.00 44.52 C ATOM 1068 C LYS A 89 -7.653 -0.851 -0.503 1.00 74.52 C ATOM 1069 O LYS A 89 -7.072 -1.927 -0.324 1.00 3.11 O ATOM 1070 CB LYS A 89 -9.706 -1.504 -1.867 1.00 72.50 C ATOM 1071 CG LYS A 89 -9.532 -3.050 -1.991 1.00 50.12 C ATOM 1072 CD LYS A 89 -9.622 -3.605 -3.450 1.00 45.11 C ATOM 1073 CE LYS A 89 -8.459 -3.217 -4.357 1.00 24.53 C ATOM 1074 NZ LYS A 89 -8.599 -3.753 -5.735 1.00 11.05 N ATOM 0 H LYS A 89 -7.387 -1.759 -3.148 1.00 74.35 H new ATOM 0 HA LYS A 89 -8.788 0.417 -1.806 1.00 44.52 H new ATOM 0 HB2 LYS A 89 -10.308 -1.308 -0.980 1.00 72.50 H new ATOM 0 HB3 LYS A 89 -10.285 -1.166 -2.726 1.00 72.50 H new ATOM 0 HG2 LYS A 89 -8.565 -3.328 -1.571 1.00 50.12 H new ATOM 0 HG3 LYS A 89 -10.295 -3.537 -1.384 1.00 50.12 H new ATOM 0 HD2 LYS A 89 -9.683 -4.692 -3.406 1.00 45.11 H new ATOM 0 HD3 LYS A 89 -10.549 -3.252 -3.901 1.00 45.11 H new ATOM 0 HE2 LYS A 89 -8.385 -2.130 -4.401 1.00 24.53 H new ATOM 0 HE3 LYS A 89 -7.528 -3.582 -3.923 1.00 24.53 H new ATOM 0 HZ1 LYS A 89 -7.790 -3.445 -6.311 1.00 11.05 H new ATOM 0 HZ2 LYS A 89 -8.625 -4.792 -5.702 1.00 11.05 H new ATOM 0 HZ3 LYS A 89 -9.480 -3.398 -6.158 1.00 11.05 H new ATOM 1088 N GLU A 90 -7.652 0.120 0.376 1.00 62.22 N ATOM 1089 CA GLU A 90 -6.836 0.059 1.541 1.00 21.53 C ATOM 1090 C GLU A 90 -7.449 0.844 2.688 1.00 32.11 C ATOM 1091 O GLU A 90 -8.204 1.804 2.489 1.00 3.44 O ATOM 1092 CB GLU A 90 -5.440 0.608 1.214 1.00 11.24 C ATOM 1093 CG GLU A 90 -5.464 2.046 0.719 1.00 42.24 C ATOM 1094 CD GLU A 90 -4.096 2.585 0.371 1.00 42.41 C ATOM 1095 OE1 GLU A 90 -3.341 2.962 1.295 1.00 45.35 O ATOM 1096 OE2 GLU A 90 -3.749 2.644 -0.833 1.00 12.31 O ATOM 0 H GLU A 90 -8.217 0.966 0.296 1.00 62.22 H new ATOM 0 HA GLU A 90 -6.759 -0.982 1.855 1.00 21.53 H new ATOM 0 HB2 GLU A 90 -4.815 0.547 2.105 1.00 11.24 H new ATOM 0 HB3 GLU A 90 -4.977 -0.023 0.456 1.00 11.24 H new ATOM 0 HG2 GLU A 90 -6.105 2.109 -0.160 1.00 42.24 H new ATOM 0 HG3 GLU A 90 -5.911 2.679 1.486 1.00 42.24 H new ATOM 1103 N ARG A 91 -7.148 0.392 3.859 1.00 10.02 N ATOM 1104 CA ARG A 91 -7.520 1.008 5.096 1.00 41.33 C ATOM 1105 C ARG A 91 -6.334 0.968 6.005 1.00 41.34 C ATOM 1106 O ARG A 91 -5.668 -0.068 6.104 1.00 34.11 O ATOM 1107 CB ARG A 91 -8.708 0.279 5.730 1.00 42.22 C ATOM 1108 CG ARG A 91 -8.948 0.595 7.203 1.00 30.54 C ATOM 1109 CD ARG A 91 -10.177 -0.124 7.738 1.00 30.14 C ATOM 1110 NE ARG A 91 -10.177 -0.167 9.197 1.00 35.23 N ATOM 1111 CZ ARG A 91 -11.253 -0.206 9.987 1.00 75.13 C ATOM 1112 NH1 ARG A 91 -12.476 -0.165 9.471 1.00 74.54 N ATOM 1113 NH2 ARG A 91 -11.095 -0.296 11.295 1.00 61.21 N ATOM 0 H ARG A 91 -6.607 -0.463 3.990 1.00 10.02 H new ATOM 0 HA ARG A 91 -7.827 2.039 4.922 1.00 41.33 H new ATOM 0 HB2 ARG A 91 -9.609 0.528 5.169 1.00 42.22 H new ATOM 0 HB3 ARG A 91 -8.554 -0.795 5.625 1.00 42.22 H new ATOM 0 HG2 ARG A 91 -8.074 0.304 7.785 1.00 30.54 H new ATOM 0 HG3 ARG A 91 -9.071 1.671 7.329 1.00 30.54 H new ATOM 0 HD2 ARG A 91 -11.077 0.381 7.388 1.00 30.14 H new ATOM 0 HD3 ARG A 91 -10.207 -1.139 7.343 1.00 30.14 H new ATOM 0 HE ARG A 91 -9.267 -0.167 9.658 1.00 35.23 H new ATOM 0 HH11 ARG A 91 -12.601 -0.103 8.461 1.00 74.54 H new ATOM 0 HH12 ARG A 91 -13.290 -0.196 10.085 1.00 74.54 H new ATOM 0 HH21 ARG A 91 -10.157 -0.335 11.694 1.00 61.21 H new ATOM 0 HH22 ARG A 91 -11.911 -0.326 11.906 1.00 61.21 H new ATOM 1127 N ILE A 92 -6.042 2.075 6.636 1.00 4.42 N ATOM 1128 CA ILE A 92 -4.943 2.126 7.561 1.00 73.25 C ATOM 1129 C ILE A 92 -5.345 1.421 8.842 1.00 43.03 C ATOM 1130 O ILE A 92 -6.319 1.801 9.484 1.00 73.45 O ATOM 1131 CB ILE A 92 -4.554 3.598 7.887 1.00 61.54 C ATOM 1132 CG1 ILE A 92 -4.149 4.362 6.609 1.00 31.13 C ATOM 1133 CG2 ILE A 92 -3.453 3.674 8.950 1.00 33.34 C ATOM 1134 CD1 ILE A 92 -2.989 3.754 5.852 1.00 3.22 C ATOM 0 H ILE A 92 -6.550 2.952 6.526 1.00 4.42 H new ATOM 0 HA ILE A 92 -4.082 1.635 7.108 1.00 73.25 H new ATOM 0 HB ILE A 92 -5.438 4.082 8.303 1.00 61.54 H new ATOM 0 HG12 ILE A 92 -5.011 4.415 5.945 1.00 31.13 H new ATOM 0 HG13 ILE A 92 -3.892 5.386 6.880 1.00 31.13 H new ATOM 0 HG21 ILE A 92 -3.211 4.718 9.149 1.00 33.34 H new ATOM 0 HG22 ILE A 92 -3.801 3.201 9.868 1.00 33.34 H new ATOM 0 HG23 ILE A 92 -2.563 3.157 8.590 1.00 33.34 H new ATOM 0 HD11 ILE A 92 -2.775 4.357 4.969 1.00 3.22 H new ATOM 0 HD12 ILE A 92 -2.109 3.726 6.495 1.00 3.22 H new ATOM 0 HD13 ILE A 92 -3.246 2.740 5.545 1.00 3.22 H new ATOM 1146 N GLU A 93 -4.598 0.412 9.198 1.00 73.24 N ATOM 1147 CA GLU A 93 -4.838 -0.334 10.421 1.00 24.33 C ATOM 1148 C GLU A 93 -3.825 0.028 11.473 1.00 64.31 C ATOM 1149 O GLU A 93 -4.103 -0.022 12.673 1.00 70.10 O ATOM 1150 CB GLU A 93 -4.790 -1.823 10.136 1.00 0.52 C ATOM 1151 CG GLU A 93 -5.929 -2.316 9.281 1.00 61.34 C ATOM 1152 CD GLU A 93 -7.238 -2.238 10.013 1.00 24.33 C ATOM 1153 OE1 GLU A 93 -7.863 -1.169 10.039 1.00 31.11 O ATOM 1154 OE2 GLU A 93 -7.656 -3.263 10.584 1.00 55.25 O ATOM 0 H GLU A 93 -3.803 0.077 8.654 1.00 73.24 H new ATOM 0 HA GLU A 93 -5.828 -0.075 10.797 1.00 24.33 H new ATOM 0 HB2 GLU A 93 -3.848 -2.058 9.641 1.00 0.52 H new ATOM 0 HB3 GLU A 93 -4.797 -2.365 11.082 1.00 0.52 H new ATOM 0 HG2 GLU A 93 -5.985 -1.722 8.369 1.00 61.34 H new ATOM 0 HG3 GLU A 93 -5.740 -3.346 8.979 1.00 61.34 H new ATOM 1161 N ALA A 94 -2.659 0.393 11.018 1.00 44.40 N ATOM 1162 CA ALA A 94 -1.570 0.770 11.874 1.00 22.24 C ATOM 1163 C ALA A 94 -0.532 1.449 11.037 1.00 61.33 C ATOM 1164 O ALA A 94 -0.255 1.000 9.917 1.00 15.00 O ATOM 1165 CB ALA A 94 -0.968 -0.457 12.546 1.00 12.22 C ATOM 0 H ALA A 94 -2.435 0.437 10.024 1.00 44.40 H new ATOM 0 HA ALA A 94 -1.931 1.441 12.654 1.00 22.24 H new ATOM 0 HB1 ALA A 94 -0.144 -0.151 13.191 1.00 12.22 H new ATOM 0 HB2 ALA A 94 -1.731 -0.955 13.144 1.00 12.22 H new ATOM 0 HB3 ALA A 94 -0.598 -1.144 11.785 1.00 12.22 H new ATOM 1171 N VAL A 95 0.015 2.519 11.530 1.00 53.44 N ATOM 1172 CA VAL A 95 1.037 3.225 10.813 1.00 12.54 C ATOM 1173 C VAL A 95 2.084 3.789 11.768 1.00 0.15 C ATOM 1174 O VAL A 95 1.773 4.528 12.698 1.00 53.21 O ATOM 1175 CB VAL A 95 0.445 4.347 9.881 1.00 15.21 C ATOM 1176 CG1 VAL A 95 -0.365 5.382 10.664 1.00 72.15 C ATOM 1177 CG2 VAL A 95 1.544 5.021 9.060 1.00 74.12 C ATOM 0 H VAL A 95 -0.231 2.926 12.433 1.00 53.44 H new ATOM 0 HA VAL A 95 1.529 2.504 10.160 1.00 12.54 H new ATOM 0 HB VAL A 95 -0.242 3.855 9.192 1.00 15.21 H new ATOM 0 HG11 VAL A 95 -0.753 6.135 9.978 1.00 72.15 H new ATOM 0 HG12 VAL A 95 -1.196 4.888 11.168 1.00 72.15 H new ATOM 0 HG13 VAL A 95 0.276 5.861 11.404 1.00 72.15 H new ATOM 0 HG21 VAL A 95 1.104 5.791 8.426 1.00 74.12 H new ATOM 0 HG22 VAL A 95 2.273 5.476 9.731 1.00 74.12 H new ATOM 0 HG23 VAL A 95 2.040 4.277 8.436 1.00 74.12 H new ATOM 1187 N GLU A 96 3.304 3.411 11.538 1.00 63.10 N ATOM 1188 CA GLU A 96 4.424 3.877 12.297 1.00 14.21 C ATOM 1189 C GLU A 96 5.324 4.662 11.389 1.00 13.33 C ATOM 1190 O GLU A 96 5.991 4.071 10.545 1.00 1.54 O ATOM 1191 CB GLU A 96 5.262 2.705 12.820 1.00 35.22 C ATOM 1192 CG GLU A 96 4.601 1.789 13.818 1.00 64.43 C ATOM 1193 CD GLU A 96 4.330 2.485 15.123 1.00 25.53 C ATOM 1194 OE1 GLU A 96 5.300 2.756 15.875 1.00 72.54 O ATOM 1195 OE2 GLU A 96 3.161 2.778 15.421 1.00 51.51 O ATOM 0 H GLU A 96 3.555 2.754 10.799 1.00 63.10 H new ATOM 0 HA GLU A 96 4.043 4.470 13.128 1.00 14.21 H new ATOM 0 HB2 GLU A 96 5.578 2.106 11.966 1.00 35.22 H new ATOM 0 HB3 GLU A 96 6.165 3.110 13.277 1.00 35.22 H new ATOM 0 HG2 GLU A 96 3.664 1.416 13.404 1.00 64.43 H new ATOM 0 HG3 GLU A 96 5.239 0.923 13.994 1.00 64.43 H new ATOM 1202 N PRO A 97 5.367 5.975 11.507 1.00 32.24 N ATOM 1203 CA PRO A 97 6.331 6.768 10.759 1.00 55.34 C ATOM 1204 C PRO A 97 7.731 6.511 11.312 1.00 2.02 C ATOM 1205 O PRO A 97 8.718 6.547 10.605 1.00 25.23 O ATOM 1206 CB PRO A 97 5.906 8.208 11.033 1.00 0.12 C ATOM 1207 CG PRO A 97 5.106 8.156 12.296 1.00 40.51 C ATOM 1208 CD PRO A 97 4.458 6.806 12.328 1.00 73.14 C ATOM 0 HA PRO A 97 6.355 6.536 9.694 1.00 55.34 H new ATOM 0 HB2 PRO A 97 6.773 8.859 11.145 1.00 0.12 H new ATOM 0 HB3 PRO A 97 5.313 8.606 10.209 1.00 0.12 H new ATOM 0 HG2 PRO A 97 5.745 8.301 13.167 1.00 40.51 H new ATOM 0 HG3 PRO A 97 4.357 8.947 12.315 1.00 40.51 H new ATOM 0 HD2 PRO A 97 4.372 6.424 13.345 1.00 73.14 H new ATOM 0 HD3 PRO A 97 3.451 6.833 11.912 1.00 73.14 H new ATOM 1216 N ASP A 98 7.763 6.207 12.594 1.00 75.14 N ATOM 1217 CA ASP A 98 8.981 5.931 13.343 1.00 74.35 C ATOM 1218 C ASP A 98 9.618 4.619 12.955 1.00 21.45 C ATOM 1219 O ASP A 98 10.833 4.471 13.012 1.00 15.43 O ATOM 1220 CB ASP A 98 8.673 5.987 14.850 1.00 3.23 C ATOM 1221 CG ASP A 98 9.752 5.435 15.753 1.00 64.45 C ATOM 1222 OD1 ASP A 98 10.769 6.107 15.969 1.00 53.32 O ATOM 1223 OD2 ASP A 98 9.565 4.312 16.293 1.00 32.30 O ATOM 0 H ASP A 98 6.919 6.142 13.164 1.00 75.14 H new ATOM 0 HA ASP A 98 9.714 6.699 13.095 1.00 74.35 H new ATOM 0 HB2 ASP A 98 8.487 7.025 15.127 1.00 3.23 H new ATOM 0 HB3 ASP A 98 7.751 5.437 15.036 1.00 3.23 H new ATOM 1228 N LYS A 99 8.816 3.689 12.541 1.00 15.53 N ATOM 1229 CA LYS A 99 9.316 2.381 12.206 1.00 72.55 C ATOM 1230 C LYS A 99 9.123 2.080 10.754 1.00 2.24 C ATOM 1231 O LYS A 99 9.415 0.967 10.305 1.00 74.43 O ATOM 1232 CB LYS A 99 8.609 1.361 13.039 1.00 71.44 C ATOM 1233 CG LYS A 99 8.803 1.620 14.492 1.00 23.32 C ATOM 1234 CD LYS A 99 8.070 0.647 15.314 1.00 3.14 C ATOM 1235 CE LYS A 99 8.170 1.019 16.768 1.00 23.23 C ATOM 1236 NZ LYS A 99 7.685 2.398 17.009 1.00 40.53 N ATOM 0 H LYS A 99 7.809 3.806 12.425 1.00 15.53 H new ATOM 0 HA LYS A 99 10.386 2.353 12.410 1.00 72.55 H new ATOM 0 HB2 LYS A 99 7.545 1.371 12.805 1.00 71.44 H new ATOM 0 HB3 LYS A 99 8.980 0.366 12.792 1.00 71.44 H new ATOM 0 HG2 LYS A 99 9.865 1.574 14.732 1.00 23.32 H new ATOM 0 HG3 LYS A 99 8.465 2.628 14.731 1.00 23.32 H new ATOM 0 HD2 LYS A 99 7.024 0.617 15.009 1.00 3.14 H new ATOM 0 HD3 LYS A 99 8.476 -0.352 15.158 1.00 3.14 H new ATOM 0 HE2 LYS A 99 7.587 0.318 17.365 1.00 23.23 H new ATOM 0 HE3 LYS A 99 9.206 0.934 17.096 1.00 23.23 H new ATOM 0 HZ1 LYS A 99 7.510 2.532 18.025 1.00 40.53 H new ATOM 0 HZ2 LYS A 99 8.402 3.079 16.688 1.00 40.53 H new ATOM 0 HZ3 LYS A 99 6.801 2.552 16.483 1.00 40.53 H new ATOM 1250 N ASN A 100 8.648 3.086 10.015 1.00 65.40 N ATOM 1251 CA ASN A 100 8.327 2.943 8.565 1.00 23.42 C ATOM 1252 C ASN A 100 7.411 1.742 8.315 1.00 12.44 C ATOM 1253 O ASN A 100 7.584 1.008 7.341 1.00 1.35 O ATOM 1254 CB ASN A 100 9.599 2.790 7.720 1.00 23.34 C ATOM 1255 CG ASN A 100 10.505 3.986 7.766 1.00 63.52 C ATOM 1256 OD1 ASN A 100 10.064 5.114 7.940 1.00 24.42 O ATOM 1257 ND2 ASN A 100 11.777 3.749 7.602 1.00 13.35 N ATOM 0 H ASN A 100 8.471 4.019 10.386 1.00 65.40 H new ATOM 0 HA ASN A 100 7.811 3.856 8.266 1.00 23.42 H new ATOM 0 HB2 ASN A 100 10.150 1.915 8.065 1.00 23.34 H new ATOM 0 HB3 ASN A 100 9.316 2.600 6.685 1.00 23.34 H new ATOM 0 HD21 ASN A 100 12.445 4.519 7.616 1.00 13.35 H new ATOM 0 HD22 ASN A 100 12.103 2.793 7.460 1.00 13.35 H new ATOM 1264 N LEU A 101 6.403 1.598 9.144 1.00 24.54 N ATOM 1265 CA LEU A 101 5.509 0.457 9.090 1.00 51.23 C ATOM 1266 C LEU A 101 4.111 0.919 8.801 1.00 30.45 C ATOM 1267 O LEU A 101 3.654 1.893 9.373 1.00 23.23 O ATOM 1268 CB LEU A 101 5.493 -0.259 10.444 1.00 22.15 C ATOM 1269 CG LEU A 101 4.527 -1.435 10.567 1.00 50.22 C ATOM 1270 CD1 LEU A 101 4.954 -2.600 9.716 1.00 24.15 C ATOM 1271 CD2 LEU A 101 4.336 -1.837 12.004 1.00 33.22 C ATOM 0 H LEU A 101 6.177 2.269 9.878 1.00 24.54 H new ATOM 0 HA LEU A 101 5.859 -0.216 8.308 1.00 51.23 H new ATOM 0 HB2 LEU A 101 6.500 -0.618 10.655 1.00 22.15 H new ATOM 0 HB3 LEU A 101 5.247 0.470 11.216 1.00 22.15 H new ATOM 0 HG LEU A 101 3.560 -1.103 10.189 1.00 50.22 H new ATOM 0 HD11 LEU A 101 4.241 -3.416 9.832 1.00 24.15 H new ATOM 0 HD12 LEU A 101 4.988 -2.294 8.671 1.00 24.15 H new ATOM 0 HD13 LEU A 101 5.943 -2.936 10.028 1.00 24.15 H new ATOM 0 HD21 LEU A 101 3.643 -2.677 12.058 1.00 33.22 H new ATOM 0 HD22 LEU A 101 5.295 -2.130 12.430 1.00 33.22 H new ATOM 0 HD23 LEU A 101 3.931 -0.996 12.566 1.00 33.22 H new ATOM 1283 N ILE A 102 3.435 0.232 7.928 1.00 2.20 N ATOM 1284 CA ILE A 102 2.080 0.574 7.613 1.00 31.42 C ATOM 1285 C ILE A 102 1.268 -0.676 7.233 1.00 33.22 C ATOM 1286 O ILE A 102 1.665 -1.475 6.374 1.00 50.25 O ATOM 1287 CB ILE A 102 2.022 1.675 6.520 1.00 63.13 C ATOM 1288 CG1 ILE A 102 0.580 2.083 6.197 1.00 1.11 C ATOM 1289 CG2 ILE A 102 2.770 1.241 5.270 1.00 75.04 C ATOM 1290 CD1 ILE A 102 0.488 3.235 5.214 1.00 71.14 C ATOM 0 H ILE A 102 3.802 -0.572 7.419 1.00 2.20 H new ATOM 0 HA ILE A 102 1.615 0.992 8.506 1.00 31.42 H new ATOM 0 HB ILE A 102 2.521 2.558 6.919 1.00 63.13 H new ATOM 0 HG12 ILE A 102 0.049 1.223 5.789 1.00 1.11 H new ATOM 0 HG13 ILE A 102 0.073 2.361 7.121 1.00 1.11 H new ATOM 0 HG21 ILE A 102 2.714 2.030 4.520 1.00 75.04 H new ATOM 0 HG22 ILE A 102 3.814 1.050 5.519 1.00 75.04 H new ATOM 0 HG23 ILE A 102 2.319 0.331 4.874 1.00 75.04 H new ATOM 0 HD11 ILE A 102 -0.560 3.473 5.029 1.00 71.14 H new ATOM 0 HD12 ILE A 102 0.991 4.109 5.629 1.00 71.14 H new ATOM 0 HD13 ILE A 102 0.967 2.952 4.276 1.00 71.14 H new ATOM 1302 N THR A 103 0.179 -0.858 7.923 1.00 24.12 N ATOM 1303 CA THR A 103 -0.716 -1.979 7.700 1.00 64.51 C ATOM 1304 C THR A 103 -1.927 -1.559 6.833 1.00 74.34 C ATOM 1305 O THR A 103 -2.656 -0.617 7.185 1.00 63.25 O ATOM 1306 CB THR A 103 -1.236 -2.496 9.055 1.00 72.12 C ATOM 1307 OG1 THR A 103 -0.119 -2.757 9.922 1.00 23.40 O ATOM 1308 CG2 THR A 103 -2.046 -3.773 8.876 1.00 73.42 C ATOM 0 H THR A 103 -0.124 -0.230 8.667 1.00 24.12 H new ATOM 0 HA THR A 103 -0.161 -2.759 7.179 1.00 64.51 H new ATOM 0 HB THR A 103 -1.883 -1.736 9.493 1.00 72.12 H new ATOM 0 HG1 THR A 103 -0.445 -3.085 10.786 1.00 23.40 H new ATOM 0 HG21 THR A 103 -2.402 -4.117 9.847 1.00 73.42 H new ATOM 0 HG22 THR A 103 -2.899 -3.575 8.227 1.00 73.42 H new ATOM 0 HG23 THR A 103 -1.418 -4.542 8.426 1.00 73.42 H new ATOM 1316 N PHE A 104 -2.120 -2.267 5.718 1.00 23.11 N ATOM 1317 CA PHE A 104 -3.227 -2.045 4.790 1.00 34.51 C ATOM 1318 C PHE A 104 -4.244 -3.185 4.938 1.00 55.04 C ATOM 1319 O PHE A 104 -3.871 -4.322 5.268 1.00 4.53 O ATOM 1320 CB PHE A 104 -2.730 -2.022 3.340 1.00 32.24 C ATOM 1321 CG PHE A 104 -1.686 -0.997 3.034 1.00 50.11 C ATOM 1322 CD1 PHE A 104 -2.015 0.339 2.937 1.00 3.44 C ATOM 1323 CD2 PHE A 104 -0.373 -1.376 2.829 1.00 44.11 C ATOM 1324 CE1 PHE A 104 -1.053 1.278 2.644 1.00 31.22 C ATOM 1325 CE2 PHE A 104 0.590 -0.445 2.533 1.00 73.35 C ATOM 1326 CZ PHE A 104 0.254 0.885 2.439 1.00 25.04 C ATOM 0 H PHE A 104 -1.499 -3.024 5.431 1.00 23.11 H new ATOM 0 HA PHE A 104 -3.685 -1.084 5.024 1.00 34.51 H new ATOM 0 HB2 PHE A 104 -2.331 -3.006 3.095 1.00 32.24 H new ATOM 0 HB3 PHE A 104 -3.584 -1.853 2.684 1.00 32.24 H new ATOM 0 HD1 PHE A 104 -3.037 0.651 3.092 1.00 3.44 H new ATOM 0 HD2 PHE A 104 -0.101 -2.419 2.903 1.00 44.11 H new ATOM 0 HE1 PHE A 104 -1.321 2.322 2.574 1.00 31.22 H new ATOM 0 HE2 PHE A 104 1.612 -0.757 2.374 1.00 73.35 H new ATOM 0 HZ PHE A 104 1.010 1.620 2.206 1.00 25.04 H new ATOM 1336 N ARG A 105 -5.497 -2.889 4.687 1.00 62.15 N ATOM 1337 CA ARG A 105 -6.580 -3.853 4.837 1.00 20.42 C ATOM 1338 C ARG A 105 -7.588 -3.716 3.699 1.00 22.03 C ATOM 1339 O ARG A 105 -7.813 -2.610 3.199 1.00 31.34 O ATOM 1340 CB ARG A 105 -7.295 -3.563 6.151 1.00 20.44 C ATOM 1341 CG ARG A 105 -8.489 -4.448 6.462 1.00 2.11 C ATOM 1342 CD ARG A 105 -9.179 -3.939 7.693 1.00 53.21 C ATOM 1343 NE ARG A 105 -10.336 -4.738 8.087 1.00 30.21 N ATOM 1344 CZ ARG A 105 -10.812 -4.795 9.339 1.00 55.33 C ATOM 1345 NH1 ARG A 105 -10.149 -4.206 10.338 1.00 1.13 N ATOM 1346 NH2 ARG A 105 -11.921 -5.469 9.597 1.00 12.10 N ATOM 0 H ARG A 105 -5.804 -1.969 4.371 1.00 62.15 H new ATOM 0 HA ARG A 105 -6.166 -4.861 4.822 1.00 20.42 H new ATOM 0 HB2 ARG A 105 -6.575 -3.658 6.964 1.00 20.44 H new ATOM 0 HB3 ARG A 105 -7.629 -2.525 6.140 1.00 20.44 H new ATOM 0 HG2 ARG A 105 -9.181 -4.453 5.620 1.00 2.11 H new ATOM 0 HG3 ARG A 105 -8.163 -5.477 6.613 1.00 2.11 H new ATOM 0 HD2 ARG A 105 -8.465 -3.917 8.517 1.00 53.21 H new ATOM 0 HD3 ARG A 105 -9.499 -2.911 7.521 1.00 53.21 H new ATOM 0 HE ARG A 105 -10.810 -5.285 7.368 1.00 30.21 H new ATOM 0 HH11 ARG A 105 -9.277 -3.711 10.150 1.00 1.13 H new ATOM 0 HH12 ARG A 105 -10.514 -4.252 11.289 1.00 1.13 H new ATOM 0 HH21 ARG A 105 -12.415 -5.946 8.843 1.00 12.10 H new ATOM 0 HH22 ARG A 105 -12.282 -5.511 10.550 1.00 12.10 H new ATOM 1360 N VAL A 106 -8.184 -4.838 3.288 1.00 64.24 N ATOM 1361 CA VAL A 106 -9.255 -4.821 2.314 1.00 62.52 C ATOM 1362 C VAL A 106 -10.539 -4.250 2.971 1.00 42.34 C ATOM 1363 O VAL A 106 -10.828 -4.535 4.135 1.00 44.43 O ATOM 1364 CB VAL A 106 -9.519 -6.257 1.776 1.00 21.43 C ATOM 1365 CG1 VAL A 106 -9.844 -7.207 2.919 1.00 60.42 C ATOM 1366 CG2 VAL A 106 -10.636 -6.256 0.736 1.00 13.24 C ATOM 0 H VAL A 106 -7.935 -5.769 3.622 1.00 64.24 H new ATOM 0 HA VAL A 106 -8.967 -4.188 1.475 1.00 62.52 H new ATOM 0 HB VAL A 106 -8.609 -6.608 1.289 1.00 21.43 H new ATOM 0 HG11 VAL A 106 -10.025 -8.206 2.522 1.00 60.42 H new ATOM 0 HG12 VAL A 106 -9.005 -7.240 3.614 1.00 60.42 H new ATOM 0 HG13 VAL A 106 -10.735 -6.857 3.441 1.00 60.42 H new ATOM 0 HG21 VAL A 106 -10.800 -7.272 0.377 1.00 13.24 H new ATOM 0 HG22 VAL A 106 -11.553 -5.879 1.188 1.00 13.24 H new ATOM 0 HG23 VAL A 106 -10.354 -5.617 -0.100 1.00 13.24 H new ATOM 1376 N ILE A 107 -11.278 -3.423 2.241 1.00 72.22 N ATOM 1377 CA ILE A 107 -12.513 -2.846 2.788 1.00 12.52 C ATOM 1378 C ILE A 107 -13.714 -3.006 1.865 1.00 45.51 C ATOM 1379 O ILE A 107 -14.845 -3.105 2.340 1.00 61.42 O ATOM 1380 CB ILE A 107 -12.408 -1.328 3.209 1.00 52.11 C ATOM 1381 CG1 ILE A 107 -12.069 -0.380 2.029 1.00 34.32 C ATOM 1382 CG2 ILE A 107 -11.398 -1.146 4.310 1.00 4.22 C ATOM 1383 CD1 ILE A 107 -10.666 -0.520 1.490 1.00 33.35 C ATOM 0 H ILE A 107 -11.055 -3.138 1.287 1.00 72.22 H new ATOM 0 HA ILE A 107 -12.664 -3.435 3.693 1.00 12.52 H new ATOM 0 HB ILE A 107 -13.400 -1.051 3.566 1.00 52.11 H new ATOM 0 HG12 ILE A 107 -12.775 -0.564 1.219 1.00 34.32 H new ATOM 0 HG13 ILE A 107 -12.218 0.650 2.354 1.00 34.32 H new ATOM 0 HG21 ILE A 107 -11.343 -0.092 4.583 1.00 4.22 H new ATOM 0 HG22 ILE A 107 -11.698 -1.731 5.179 1.00 4.22 H new ATOM 0 HG23 ILE A 107 -10.420 -1.483 3.966 1.00 4.22 H new ATOM 0 HD11 ILE A 107 -10.520 0.181 0.668 1.00 33.35 H new ATOM 0 HD12 ILE A 107 -9.949 -0.305 2.282 1.00 33.35 H new ATOM 0 HD13 ILE A 107 -10.515 -1.537 1.130 1.00 33.35 H new ATOM 1395 N GLU A 108 -13.493 -3.021 0.555 1.00 4.34 N ATOM 1396 CA GLU A 108 -14.625 -3.070 -0.341 1.00 61.43 C ATOM 1397 C GLU A 108 -15.063 -4.512 -0.678 1.00 53.34 C ATOM 1398 O GLU A 108 -15.832 -5.111 0.073 1.00 44.31 O ATOM 1399 CB GLU A 108 -14.392 -2.218 -1.584 1.00 32.13 C ATOM 1400 CG GLU A 108 -15.611 -2.075 -2.471 1.00 5.40 C ATOM 1401 CD GLU A 108 -16.757 -1.419 -1.749 1.00 65.53 C ATOM 1402 OE1 GLU A 108 -16.735 -0.179 -1.584 1.00 63.02 O ATOM 1403 OE2 GLU A 108 -17.690 -2.127 -1.320 1.00 1.35 O ATOM 0 H GLU A 108 -12.575 -3.001 0.110 1.00 4.34 H new ATOM 0 HA GLU A 108 -15.468 -2.630 0.192 1.00 61.43 H new ATOM 0 HB2 GLU A 108 -14.062 -1.226 -1.275 1.00 32.13 H new ATOM 0 HB3 GLU A 108 -13.582 -2.657 -2.166 1.00 32.13 H new ATOM 0 HG2 GLU A 108 -15.352 -1.487 -3.351 1.00 5.40 H new ATOM 0 HG3 GLU A 108 -15.920 -3.059 -2.824 1.00 5.40 H new ATOM 1410 N GLY A 109 -14.558 -5.083 -1.770 1.00 75.02 N ATOM 1411 CA GLY A 109 -15.001 -6.427 -2.114 1.00 61.12 C ATOM 1412 C GLY A 109 -14.167 -7.125 -3.170 1.00 33.22 C ATOM 1413 O GLY A 109 -14.186 -8.342 -3.243 1.00 24.13 O ATOM 0 H GLY A 109 -13.877 -4.661 -2.401 1.00 75.02 H new ATOM 0 HA2 GLY A 109 -15.000 -7.036 -1.210 1.00 61.12 H new ATOM 0 HA3 GLY A 109 -16.033 -6.375 -2.462 1.00 61.12 H new ATOM 1417 N ASP A 110 -13.437 -6.357 -3.974 1.00 24.55 N ATOM 1418 CA ASP A 110 -12.576 -6.898 -5.064 1.00 65.01 C ATOM 1419 C ASP A 110 -11.681 -8.045 -4.600 1.00 62.54 C ATOM 1420 O ASP A 110 -11.666 -9.106 -5.195 1.00 32.44 O ATOM 1421 CB ASP A 110 -11.721 -5.759 -5.631 1.00 21.40 C ATOM 1422 CG ASP A 110 -10.672 -6.186 -6.627 1.00 64.12 C ATOM 1423 OD1 ASP A 110 -11.004 -6.372 -7.817 1.00 41.01 O ATOM 1424 OD2 ASP A 110 -9.490 -6.287 -6.228 1.00 25.23 O ATOM 0 H ASP A 110 -13.414 -5.340 -3.902 1.00 24.55 H new ATOM 0 HA ASP A 110 -13.231 -7.308 -5.833 1.00 65.01 H new ATOM 0 HB2 ASP A 110 -12.379 -5.033 -6.108 1.00 21.40 H new ATOM 0 HB3 ASP A 110 -11.229 -5.248 -4.804 1.00 21.40 H new ATOM 1429 N LEU A 111 -10.993 -7.836 -3.512 1.00 13.11 N ATOM 1430 CA LEU A 111 -10.092 -8.843 -2.965 1.00 31.44 C ATOM 1431 C LEU A 111 -10.861 -9.976 -2.277 1.00 34.43 C ATOM 1432 O LEU A 111 -10.383 -11.097 -2.181 1.00 73.12 O ATOM 1433 CB LEU A 111 -9.097 -8.180 -2.016 1.00 11.31 C ATOM 1434 CG LEU A 111 -8.183 -7.129 -2.661 1.00 41.41 C ATOM 1435 CD1 LEU A 111 -7.376 -6.398 -1.615 1.00 54.22 C ATOM 1436 CD2 LEU A 111 -7.252 -7.779 -3.679 1.00 74.24 C ATOM 0 H LEU A 111 -11.032 -6.971 -2.973 1.00 13.11 H new ATOM 0 HA LEU A 111 -9.539 -9.299 -3.786 1.00 31.44 H new ATOM 0 HB2 LEU A 111 -9.651 -7.708 -1.205 1.00 11.31 H new ATOM 0 HB3 LEU A 111 -8.474 -8.955 -1.568 1.00 11.31 H new ATOM 0 HG LEU A 111 -8.817 -6.406 -3.175 1.00 41.41 H new ATOM 0 HD11 LEU A 111 -6.737 -5.659 -2.099 1.00 54.22 H new ATOM 0 HD12 LEU A 111 -8.050 -5.896 -0.921 1.00 54.22 H new ATOM 0 HD13 LEU A 111 -6.758 -7.110 -1.069 1.00 54.22 H new ATOM 0 HD21 LEU A 111 -6.612 -7.018 -4.125 1.00 74.24 H new ATOM 0 HD22 LEU A 111 -6.634 -8.526 -3.182 1.00 74.24 H new ATOM 0 HD23 LEU A 111 -7.844 -8.258 -4.459 1.00 74.24 H new ATOM 1448 N MET A 112 -12.071 -9.677 -1.846 1.00 72.32 N ATOM 1449 CA MET A 112 -12.895 -10.629 -1.083 1.00 31.42 C ATOM 1450 C MET A 112 -13.564 -11.666 -1.987 1.00 24.31 C ATOM 1451 O MET A 112 -14.208 -12.595 -1.505 1.00 11.45 O ATOM 1452 CB MET A 112 -13.974 -9.915 -0.278 1.00 71.45 C ATOM 1453 CG MET A 112 -13.524 -8.939 0.840 1.00 25.33 C ATOM 1454 SD MET A 112 -12.811 -9.700 2.353 1.00 71.55 S ATOM 1455 CE MET A 112 -11.202 -10.314 1.842 1.00 3.10 C ATOM 0 H MET A 112 -12.520 -8.775 -2.007 1.00 72.32 H new ATOM 0 HA MET A 112 -12.211 -11.140 -0.405 1.00 31.42 H new ATOM 0 HB2 MET A 112 -14.597 -9.357 -0.977 1.00 71.45 H new ATOM 0 HB3 MET A 112 -14.608 -10.675 0.178 1.00 71.45 H new ATOM 0 HG2 MET A 112 -12.785 -8.257 0.420 1.00 25.33 H new ATOM 0 HG3 MET A 112 -14.384 -8.336 1.134 1.00 25.33 H new ATOM 0 HE1 MET A 112 -10.463 -10.078 2.607 1.00 3.10 H new ATOM 0 HE2 MET A 112 -11.251 -11.394 1.706 1.00 3.10 H new ATOM 0 HE3 MET A 112 -10.914 -9.843 0.902 1.00 3.10 H new ATOM 1465 N LYS A 113 -13.438 -11.496 -3.284 1.00 10.20 N ATOM 1466 CA LYS A 113 -14.028 -12.445 -4.222 1.00 74.13 C ATOM 1467 C LYS A 113 -13.139 -13.667 -4.338 1.00 54.45 C ATOM 1468 O LYS A 113 -13.602 -14.778 -4.634 1.00 11.44 O ATOM 1469 CB LYS A 113 -14.232 -11.791 -5.589 1.00 43.02 C ATOM 1470 CG LYS A 113 -15.102 -10.544 -5.543 1.00 54.13 C ATOM 1471 CD LYS A 113 -16.509 -10.855 -5.054 1.00 31.13 C ATOM 1472 CE LYS A 113 -17.323 -9.587 -4.871 1.00 41.44 C ATOM 1473 NZ LYS A 113 -17.435 -8.800 -6.112 1.00 15.42 N ATOM 0 H LYS A 113 -12.939 -10.719 -3.718 1.00 10.20 H new ATOM 0 HA LYS A 113 -15.004 -12.755 -3.849 1.00 74.13 H new ATOM 0 HB2 LYS A 113 -13.260 -11.530 -6.007 1.00 43.02 H new ATOM 0 HB3 LYS A 113 -14.685 -12.516 -6.265 1.00 43.02 H new ATOM 0 HG2 LYS A 113 -14.644 -9.805 -4.886 1.00 54.13 H new ATOM 0 HG3 LYS A 113 -15.153 -10.099 -6.537 1.00 54.13 H new ATOM 0 HD2 LYS A 113 -17.008 -11.510 -5.768 1.00 31.13 H new ATOM 0 HD3 LYS A 113 -16.457 -11.395 -4.109 1.00 31.13 H new ATOM 0 HE2 LYS A 113 -18.321 -9.848 -4.520 1.00 41.44 H new ATOM 0 HE3 LYS A 113 -16.863 -8.973 -4.096 1.00 41.44 H new ATOM 0 HZ1 LYS A 113 -18.108 -8.020 -5.969 1.00 15.42 H new ATOM 0 HZ2 LYS A 113 -16.503 -8.411 -6.362 1.00 15.42 H new ATOM 0 HZ3 LYS A 113 -17.773 -9.412 -6.882 1.00 15.42 H new ATOM 1487 N GLU A 114 -11.873 -13.451 -4.075 1.00 51.24 N ATOM 1488 CA GLU A 114 -10.869 -14.501 -4.131 1.00 61.44 C ATOM 1489 C GLU A 114 -10.465 -14.940 -2.730 1.00 72.52 C ATOM 1490 O GLU A 114 -10.134 -16.114 -2.492 1.00 11.55 O ATOM 1491 CB GLU A 114 -9.604 -14.043 -4.898 1.00 41.41 C ATOM 1492 CG GLU A 114 -9.701 -13.952 -6.430 1.00 3.22 C ATOM 1493 CD GLU A 114 -10.719 -12.984 -6.962 1.00 21.31 C ATOM 1494 OE1 GLU A 114 -10.437 -11.772 -7.004 1.00 65.34 O ATOM 1495 OE2 GLU A 114 -11.798 -13.425 -7.390 1.00 1.11 O ATOM 0 H GLU A 114 -11.502 -12.538 -3.814 1.00 51.24 H new ATOM 0 HA GLU A 114 -11.319 -15.339 -4.663 1.00 61.44 H new ATOM 0 HB2 GLU A 114 -9.317 -13.062 -4.520 1.00 41.41 H new ATOM 0 HB3 GLU A 114 -8.794 -14.729 -4.652 1.00 41.41 H new ATOM 0 HG2 GLU A 114 -8.723 -13.674 -6.822 1.00 3.22 H new ATOM 0 HG3 GLU A 114 -9.930 -14.943 -6.821 1.00 3.22 H new ATOM 1502 N TYR A 115 -10.483 -14.003 -1.804 1.00 74.21 N ATOM 1503 CA TYR A 115 -10.036 -14.257 -0.454 1.00 52.13 C ATOM 1504 C TYR A 115 -11.121 -13.910 0.512 1.00 23.10 C ATOM 1505 O TYR A 115 -11.901 -13.027 0.263 1.00 23.55 O ATOM 1506 CB TYR A 115 -8.785 -13.423 -0.160 1.00 21.32 C ATOM 1507 CG TYR A 115 -7.724 -13.631 -1.193 1.00 21.51 C ATOM 1508 CD1 TYR A 115 -6.917 -14.743 -1.163 1.00 32.53 C ATOM 1509 CD2 TYR A 115 -7.564 -12.726 -2.233 1.00 22.42 C ATOM 1510 CE1 TYR A 115 -5.983 -14.958 -2.132 1.00 74.12 C ATOM 1511 CE2 TYR A 115 -6.618 -12.934 -3.207 1.00 33.31 C ATOM 1512 CZ TYR A 115 -5.831 -14.057 -3.148 1.00 33.01 C ATOM 1513 OH TYR A 115 -4.905 -14.299 -4.118 1.00 32.23 O ATOM 0 H TYR A 115 -10.807 -13.049 -1.967 1.00 74.21 H new ATOM 0 HA TYR A 115 -9.793 -15.314 -0.348 1.00 52.13 H new ATOM 0 HB2 TYR A 115 -9.053 -12.367 -0.121 1.00 21.32 H new ATOM 0 HB3 TYR A 115 -8.393 -13.689 0.822 1.00 21.32 H new ATOM 0 HD1 TYR A 115 -7.025 -15.457 -0.360 1.00 32.53 H new ATOM 0 HD2 TYR A 115 -8.191 -11.848 -2.277 1.00 22.42 H new ATOM 0 HE1 TYR A 115 -5.362 -15.841 -2.097 1.00 74.12 H new ATOM 0 HE2 TYR A 115 -6.495 -12.222 -4.010 1.00 33.31 H new ATOM 0 HH TYR A 115 -4.459 -15.153 -3.939 1.00 32.23 H new ATOM 1523 N LYS A 116 -11.166 -14.599 1.604 1.00 51.32 N ATOM 1524 CA LYS A 116 -12.183 -14.361 2.599 1.00 12.30 C ATOM 1525 C LYS A 116 -11.703 -13.415 3.692 1.00 50.30 C ATOM 1526 O LYS A 116 -12.483 -12.953 4.533 1.00 24.41 O ATOM 1527 CB LYS A 116 -12.786 -15.688 3.096 1.00 11.44 C ATOM 1528 CG LYS A 116 -11.769 -16.778 3.416 1.00 51.54 C ATOM 1529 CD LYS A 116 -12.448 -18.144 3.598 1.00 5.03 C ATOM 1530 CE LYS A 116 -13.361 -18.203 4.810 1.00 45.52 C ATOM 1531 NZ LYS A 116 -12.619 -18.151 6.075 1.00 25.41 N ATOM 0 H LYS A 116 -10.507 -15.341 1.840 1.00 51.32 H new ATOM 0 HA LYS A 116 -13.012 -13.826 2.136 1.00 12.30 H new ATOM 0 HB2 LYS A 116 -13.376 -15.489 3.990 1.00 11.44 H new ATOM 0 HB3 LYS A 116 -13.473 -16.064 2.338 1.00 11.44 H new ATOM 0 HG2 LYS A 116 -11.035 -16.839 2.613 1.00 51.54 H new ATOM 0 HG3 LYS A 116 -11.227 -16.516 4.324 1.00 51.54 H new ATOM 0 HD2 LYS A 116 -13.027 -18.377 2.704 1.00 5.03 H new ATOM 0 HD3 LYS A 116 -11.682 -18.914 3.691 1.00 5.03 H new ATOM 0 HE2 LYS A 116 -14.065 -17.372 4.771 1.00 45.52 H new ATOM 0 HE3 LYS A 116 -13.948 -19.121 4.774 1.00 45.52 H new ATOM 0 HZ1 LYS A 116 -13.287 -18.194 6.871 1.00 25.41 H new ATOM 0 HZ2 LYS A 116 -11.965 -18.958 6.127 1.00 25.41 H new ATOM 0 HZ3 LYS A 116 -12.079 -17.264 6.124 1.00 25.41 H new ATOM 1545 N SER A 117 -10.416 -13.103 3.641 1.00 32.33 N ATOM 1546 CA SER A 117 -9.797 -12.135 4.499 1.00 72.31 C ATOM 1547 C SER A 117 -8.447 -11.805 3.879 1.00 53.33 C ATOM 1548 O SER A 117 -7.826 -12.686 3.255 1.00 53.30 O ATOM 1549 CB SER A 117 -9.654 -12.698 5.896 1.00 42.41 C ATOM 1550 OG SER A 117 -9.204 -11.713 6.813 1.00 51.21 O ATOM 0 H SER A 117 -9.768 -13.533 2.981 1.00 32.33 H new ATOM 0 HA SER A 117 -10.397 -11.229 4.589 1.00 72.31 H new ATOM 0 HB2 SER A 117 -10.613 -13.095 6.229 1.00 42.41 H new ATOM 0 HB3 SER A 117 -8.952 -13.531 5.883 1.00 42.41 H new ATOM 0 HG SER A 117 -9.124 -12.109 7.706 1.00 51.21 H new ATOM 1556 N PHE A 118 -7.999 -10.566 4.001 1.00 64.30 N ATOM 1557 CA PHE A 118 -6.772 -10.142 3.339 1.00 71.44 C ATOM 1558 C PHE A 118 -6.140 -8.935 4.037 1.00 4.30 C ATOM 1559 O PHE A 118 -6.787 -7.894 4.233 1.00 73.25 O ATOM 1560 CB PHE A 118 -7.067 -9.833 1.848 1.00 44.31 C ATOM 1561 CG PHE A 118 -5.896 -9.345 1.033 1.00 62.45 C ATOM 1562 CD1 PHE A 118 -5.056 -10.240 0.398 1.00 12.43 C ATOM 1563 CD2 PHE A 118 -5.647 -7.993 0.890 1.00 54.51 C ATOM 1564 CE1 PHE A 118 -3.994 -9.800 -0.357 1.00 33.21 C ATOM 1565 CE2 PHE A 118 -4.584 -7.547 0.134 1.00 71.45 C ATOM 1566 CZ PHE A 118 -3.757 -8.452 -0.492 1.00 55.02 C ATOM 0 H PHE A 118 -8.461 -9.839 4.548 1.00 64.30 H new ATOM 0 HA PHE A 118 -6.049 -10.955 3.399 1.00 71.44 H new ATOM 0 HB2 PHE A 118 -7.459 -10.736 1.380 1.00 44.31 H new ATOM 0 HB3 PHE A 118 -7.855 -9.082 1.802 1.00 44.31 H new ATOM 0 HD1 PHE A 118 -5.236 -11.300 0.496 1.00 12.43 H new ATOM 0 HD2 PHE A 118 -6.293 -7.277 1.376 1.00 54.51 H new ATOM 0 HE1 PHE A 118 -3.346 -10.513 -0.844 1.00 33.21 H new ATOM 0 HE2 PHE A 118 -4.400 -6.488 0.033 1.00 71.45 H new ATOM 0 HZ PHE A 118 -2.925 -8.105 -1.087 1.00 55.02 H new ATOM 1576 N LEU A 119 -4.897 -9.093 4.423 1.00 31.43 N ATOM 1577 CA LEU A 119 -4.113 -8.044 5.033 1.00 3.41 C ATOM 1578 C LEU A 119 -2.746 -8.005 4.456 1.00 52.04 C ATOM 1579 O LEU A 119 -2.187 -9.020 4.041 1.00 23.12 O ATOM 1580 CB LEU A 119 -3.997 -8.223 6.541 1.00 12.34 C ATOM 1581 CG LEU A 119 -5.220 -7.885 7.334 1.00 21.45 C ATOM 1582 CD1 LEU A 119 -5.095 -8.414 8.746 1.00 52.21 C ATOM 1583 CD2 LEU A 119 -5.410 -6.385 7.385 1.00 43.11 C ATOM 0 H LEU A 119 -4.391 -9.973 4.320 1.00 31.43 H new ATOM 0 HA LEU A 119 -4.633 -7.108 4.828 1.00 3.41 H new ATOM 0 HB2 LEU A 119 -3.730 -9.260 6.745 1.00 12.34 H new ATOM 0 HB3 LEU A 119 -3.173 -7.605 6.899 1.00 12.34 H new ATOM 0 HG LEU A 119 -6.080 -8.347 6.849 1.00 21.45 H new ATOM 0 HD11 LEU A 119 -5.992 -8.160 9.310 1.00 52.21 H new ATOM 0 HD12 LEU A 119 -4.977 -9.497 8.720 1.00 52.21 H new ATOM 0 HD13 LEU A 119 -4.225 -7.966 9.227 1.00 52.21 H new ATOM 0 HD21 LEU A 119 -6.303 -6.151 7.965 1.00 43.11 H new ATOM 0 HD22 LEU A 119 -4.541 -5.924 7.855 1.00 43.11 H new ATOM 0 HD23 LEU A 119 -5.523 -5.998 6.372 1.00 43.11 H new ATOM 1595 N LEU A 120 -2.221 -6.855 4.413 1.00 72.54 N ATOM 1596 CA LEU A 120 -0.861 -6.662 3.969 1.00 14.40 C ATOM 1597 C LEU A 120 -0.215 -5.577 4.773 1.00 32.42 C ATOM 1598 O LEU A 120 -0.799 -4.532 5.006 1.00 52.15 O ATOM 1599 CB LEU A 120 -0.710 -6.408 2.444 1.00 42.24 C ATOM 1600 CG LEU A 120 -1.323 -5.133 1.843 1.00 21.35 C ATOM 1601 CD1 LEU A 120 -0.902 -4.999 0.397 1.00 10.41 C ATOM 1602 CD2 LEU A 120 -2.840 -5.147 1.933 1.00 75.23 C ATOM 0 H LEU A 120 -2.704 -5.997 4.681 1.00 72.54 H new ATOM 0 HA LEU A 120 -0.344 -7.606 4.141 1.00 14.40 H new ATOM 0 HB2 LEU A 120 0.355 -6.402 2.214 1.00 42.24 H new ATOM 0 HB3 LEU A 120 -1.144 -7.261 1.922 1.00 42.24 H new ATOM 0 HG LEU A 120 -0.959 -4.281 2.418 1.00 21.35 H new ATOM 0 HD11 LEU A 120 -1.338 -4.094 -0.027 1.00 10.41 H new ATOM 0 HD12 LEU A 120 0.185 -4.940 0.338 1.00 10.41 H new ATOM 0 HD13 LEU A 120 -1.249 -5.866 -0.165 1.00 10.41 H new ATOM 0 HD21 LEU A 120 -3.239 -4.230 1.499 1.00 75.23 H new ATOM 0 HD22 LEU A 120 -3.229 -6.006 1.387 1.00 75.23 H new ATOM 0 HD23 LEU A 120 -3.142 -5.214 2.978 1.00 75.23 H new ATOM 1614 N THR A 121 0.945 -5.830 5.232 1.00 61.25 N ATOM 1615 CA THR A 121 1.648 -4.888 6.026 1.00 31.23 C ATOM 1616 C THR A 121 3.042 -4.713 5.462 1.00 41.12 C ATOM 1617 O THR A 121 3.740 -5.696 5.234 1.00 33.45 O ATOM 1618 CB THR A 121 1.722 -5.386 7.472 1.00 23.12 C ATOM 1619 OG1 THR A 121 0.390 -5.700 7.924 1.00 3.23 O ATOM 1620 CG2 THR A 121 2.312 -4.321 8.366 1.00 55.43 C ATOM 0 H THR A 121 1.445 -6.704 5.070 1.00 61.25 H new ATOM 0 HA THR A 121 1.129 -3.930 6.013 1.00 31.23 H new ATOM 0 HB THR A 121 2.356 -6.271 7.514 1.00 23.12 H new ATOM 0 HG1 THR A 121 0.335 -5.570 8.894 1.00 3.23 H new ATOM 0 HG21 THR A 121 2.358 -4.690 9.390 1.00 55.43 H new ATOM 0 HG22 THR A 121 3.317 -4.075 8.024 1.00 55.43 H new ATOM 0 HG23 THR A 121 1.687 -3.428 8.330 1.00 55.43 H new ATOM 1628 N ILE A 122 3.439 -3.492 5.221 1.00 61.13 N ATOM 1629 CA ILE A 122 4.748 -3.245 4.676 1.00 40.23 C ATOM 1630 C ILE A 122 5.565 -2.440 5.639 1.00 62.53 C ATOM 1631 O ILE A 122 5.021 -1.644 6.426 1.00 61.53 O ATOM 1632 CB ILE A 122 4.711 -2.519 3.305 1.00 33.22 C ATOM 1633 CG1 ILE A 122 4.106 -1.128 3.414 1.00 31.22 C ATOM 1634 CG2 ILE A 122 3.929 -3.332 2.310 1.00 72.35 C ATOM 1635 CD1 ILE A 122 4.144 -0.334 2.116 1.00 1.31 C ATOM 0 H ILE A 122 2.879 -2.657 5.392 1.00 61.13 H new ATOM 0 HA ILE A 122 5.203 -4.222 4.514 1.00 40.23 H new ATOM 0 HB ILE A 122 5.741 -2.411 2.966 1.00 33.22 H new ATOM 0 HG12 ILE A 122 3.071 -1.218 3.743 1.00 31.22 H new ATOM 0 HG13 ILE A 122 4.638 -0.571 4.185 1.00 31.22 H new ATOM 0 HG21 ILE A 122 3.909 -2.813 1.352 1.00 72.35 H new ATOM 0 HG22 ILE A 122 4.401 -4.307 2.186 1.00 72.35 H new ATOM 0 HG23 ILE A 122 2.909 -3.466 2.671 1.00 72.35 H new ATOM 0 HD11 ILE A 122 3.694 0.646 2.276 1.00 1.31 H new ATOM 0 HD12 ILE A 122 5.178 -0.211 1.795 1.00 1.31 H new ATOM 0 HD13 ILE A 122 3.586 -0.868 1.346 1.00 1.31 H new ATOM 1647 N GLN A 123 6.845 -2.658 5.614 1.00 5.02 N ATOM 1648 CA GLN A 123 7.731 -1.918 6.442 1.00 24.20 C ATOM 1649 C GLN A 123 9.008 -1.659 5.678 1.00 74.44 C ATOM 1650 O GLN A 123 9.592 -2.584 5.084 1.00 10.40 O ATOM 1651 CB GLN A 123 7.992 -2.665 7.751 1.00 71.55 C ATOM 1652 CG GLN A 123 8.702 -1.832 8.802 1.00 12.33 C ATOM 1653 CD GLN A 123 8.748 -2.511 10.154 1.00 43.44 C ATOM 1654 OE1 GLN A 123 8.805 -3.743 10.257 1.00 33.35 O ATOM 1655 NE2 GLN A 123 8.685 -1.721 11.200 1.00 22.24 N ATOM 0 H GLN A 123 7.298 -3.352 5.019 1.00 5.02 H new ATOM 0 HA GLN A 123 7.283 -0.961 6.708 1.00 24.20 H new ATOM 0 HB2 GLN A 123 7.041 -3.011 8.157 1.00 71.55 H new ATOM 0 HB3 GLN A 123 8.590 -3.552 7.539 1.00 71.55 H new ATOM 0 HG2 GLN A 123 9.719 -1.625 8.469 1.00 12.33 H new ATOM 0 HG3 GLN A 123 8.197 -0.871 8.900 1.00 12.33 H new ATOM 0 HE21 GLN A 123 8.639 -0.710 11.073 1.00 22.24 H new ATOM 0 HE22 GLN A 123 8.682 -2.118 12.140 1.00 22.24 H new ATOM 1664 N VAL A 124 9.430 -0.422 5.666 1.00 15.54 N ATOM 1665 CA VAL A 124 10.596 -0.033 4.918 1.00 15.32 C ATOM 1666 C VAL A 124 11.818 -0.045 5.821 1.00 51.24 C ATOM 1667 O VAL A 124 11.903 0.690 6.799 1.00 43.03 O ATOM 1668 CB VAL A 124 10.427 1.361 4.260 1.00 21.43 C ATOM 1669 CG1 VAL A 124 11.630 1.693 3.402 1.00 61.24 C ATOM 1670 CG2 VAL A 124 9.155 1.412 3.425 1.00 35.43 C ATOM 0 H VAL A 124 8.978 0.340 6.171 1.00 15.54 H new ATOM 0 HA VAL A 124 10.730 -0.757 4.114 1.00 15.32 H new ATOM 0 HB VAL A 124 10.349 2.104 5.054 1.00 21.43 H new ATOM 0 HG11 VAL A 124 11.494 2.675 2.948 1.00 61.24 H new ATOM 0 HG12 VAL A 124 12.527 1.701 4.021 1.00 61.24 H new ATOM 0 HG13 VAL A 124 11.736 0.943 2.618 1.00 61.24 H new ATOM 0 HG21 VAL A 124 9.056 2.399 2.973 1.00 35.43 H new ATOM 0 HG22 VAL A 124 9.204 0.656 2.641 1.00 35.43 H new ATOM 0 HG23 VAL A 124 8.293 1.217 4.063 1.00 35.43 H new ATOM 1680 N THR A 125 12.731 -0.888 5.489 1.00 11.04 N ATOM 1681 CA THR A 125 13.921 -1.106 6.241 1.00 54.42 C ATOM 1682 C THR A 125 15.132 -0.695 5.376 1.00 3.04 C ATOM 1683 O THR A 125 15.109 -0.902 4.163 1.00 22.44 O ATOM 1684 CB THR A 125 13.984 -2.615 6.589 1.00 32.23 C ATOM 1685 OG1 THR A 125 12.774 -2.972 7.282 1.00 63.42 O ATOM 1686 CG2 THR A 125 15.173 -2.962 7.465 1.00 52.41 C ATOM 0 H THR A 125 12.669 -1.469 4.653 1.00 11.04 H new ATOM 0 HA THR A 125 13.932 -0.517 7.158 1.00 54.42 H new ATOM 0 HB THR A 125 14.093 -3.170 5.657 1.00 32.23 H new ATOM 0 HG1 THR A 125 12.796 -3.925 7.509 1.00 63.42 H new ATOM 0 HG21 THR A 125 15.168 -4.031 7.678 1.00 52.41 H new ATOM 0 HG22 THR A 125 16.095 -2.699 6.947 1.00 52.41 H new ATOM 0 HG23 THR A 125 15.111 -2.405 8.400 1.00 52.41 H new ATOM 1694 N PRO A 126 16.167 -0.052 5.976 1.00 51.22 N ATOM 1695 CA PRO A 126 17.400 0.341 5.264 1.00 44.23 C ATOM 1696 C PRO A 126 17.967 -0.792 4.390 1.00 71.40 C ATOM 1697 O PRO A 126 17.829 -1.982 4.713 1.00 1.33 O ATOM 1698 CB PRO A 126 18.368 0.643 6.401 1.00 35.52 C ATOM 1699 CG PRO A 126 17.507 1.109 7.518 1.00 65.22 C ATOM 1700 CD PRO A 126 16.197 0.379 7.389 1.00 41.21 C ATOM 0 HA PRO A 126 17.225 1.172 4.581 1.00 44.23 H new ATOM 0 HB2 PRO A 126 18.936 -0.243 6.683 1.00 35.52 H new ATOM 0 HB3 PRO A 126 19.091 1.407 6.113 1.00 35.52 H new ATOM 0 HG2 PRO A 126 17.974 0.899 8.480 1.00 65.22 H new ATOM 0 HG3 PRO A 126 17.356 2.187 7.466 1.00 65.22 H new ATOM 0 HD2 PRO A 126 16.146 -0.473 8.067 1.00 41.21 H new ATOM 0 HD3 PRO A 126 15.354 1.027 7.627 1.00 41.21 H new ATOM 1708 N LYS A 127 18.585 -0.424 3.300 1.00 54.01 N ATOM 1709 CA LYS A 127 19.152 -1.381 2.381 1.00 51.13 C ATOM 1710 C LYS A 127 20.644 -1.554 2.609 1.00 13.13 C ATOM 1711 O LYS A 127 21.393 -0.563 2.630 1.00 31.51 O ATOM 1712 CB LYS A 127 18.883 -0.967 0.924 1.00 32.53 C ATOM 1713 CG LYS A 127 19.618 -1.813 -0.103 1.00 12.44 C ATOM 1714 CD LYS A 127 19.211 -1.466 -1.515 1.00 50.51 C ATOM 1715 CE LYS A 127 20.070 -2.202 -2.523 1.00 52.53 C ATOM 1716 NZ LYS A 127 19.566 -2.043 -3.892 1.00 33.52 N ATOM 0 H LYS A 127 18.711 0.549 3.021 1.00 54.01 H new ATOM 0 HA LYS A 127 18.667 -2.339 2.568 1.00 51.13 H new ATOM 0 HB2 LYS A 127 17.812 -1.028 0.731 1.00 32.53 H new ATOM 0 HB3 LYS A 127 19.171 0.076 0.794 1.00 32.53 H new ATOM 0 HG2 LYS A 127 20.692 -1.669 0.011 1.00 12.44 H new ATOM 0 HG3 LYS A 127 19.416 -2.868 0.084 1.00 12.44 H new ATOM 0 HD2 LYS A 127 18.163 -1.722 -1.669 1.00 50.51 H new ATOM 0 HD3 LYS A 127 19.302 -0.391 -1.670 1.00 50.51 H new ATOM 0 HE2 LYS A 127 21.093 -1.831 -2.468 1.00 52.53 H new ATOM 0 HE3 LYS A 127 20.101 -3.261 -2.268 1.00 52.53 H new ATOM 0 HZ1 LYS A 127 20.344 -2.188 -4.567 1.00 33.52 H new ATOM 0 HZ2 LYS A 127 18.818 -2.743 -4.070 1.00 33.52 H new ATOM 0 HZ3 LYS A 127 19.179 -1.085 -4.010 1.00 33.52 H new ATOM 1772 N GLY A 132 19.213 3.602 -1.369 1.00 52.21 N ATOM 1773 CA GLY A 132 17.958 2.914 -1.482 1.00 2.45 C ATOM 1774 C GLY A 132 17.530 2.320 -0.166 1.00 42.53 C ATOM 1775 O GLY A 132 18.202 2.503 0.861 1.00 2.53 O ATOM 0 HA2 GLY A 132 17.194 3.606 -1.835 1.00 2.45 H new ATOM 0 HA3 GLY A 132 18.042 2.124 -2.228 1.00 2.45 H new ATOM 1779 N SER A 133 16.425 1.634 -0.173 1.00 13.43 N ATOM 1780 CA SER A 133 15.909 0.971 1.001 1.00 1.44 C ATOM 1781 C SER A 133 15.084 -0.232 0.569 1.00 70.24 C ATOM 1782 O SER A 133 14.713 -0.340 -0.596 1.00 5.25 O ATOM 1783 CB SER A 133 15.082 1.942 1.860 1.00 35.35 C ATOM 1784 OG SER A 133 15.884 3.033 2.319 1.00 64.23 O ATOM 0 H SER A 133 15.845 1.514 -1.003 1.00 13.43 H new ATOM 0 HA SER A 133 16.738 0.627 1.619 1.00 1.44 H new ATOM 0 HB2 SER A 133 14.243 2.323 1.278 1.00 35.35 H new ATOM 0 HB3 SER A 133 14.663 1.410 2.714 1.00 35.35 H new ATOM 0 HG SER A 133 16.805 2.916 2.006 1.00 64.23 H new ATOM 1790 N ILE A 134 14.814 -1.124 1.473 1.00 4.02 N ATOM 1791 CA ILE A 134 14.072 -2.319 1.154 1.00 20.13 C ATOM 1792 C ILE A 134 12.713 -2.249 1.803 1.00 53.23 C ATOM 1793 O ILE A 134 12.589 -1.903 2.975 1.00 53.13 O ATOM 1794 CB ILE A 134 14.779 -3.589 1.694 1.00 31.44 C ATOM 1795 CG1 ILE A 134 16.191 -3.695 1.163 1.00 60.42 C ATOM 1796 CG2 ILE A 134 13.995 -4.858 1.351 1.00 64.34 C ATOM 1797 CD1 ILE A 134 16.303 -3.813 -0.335 1.00 74.32 C ATOM 0 H ILE A 134 15.098 -1.051 2.450 1.00 4.02 H new ATOM 0 HA ILE A 134 13.997 -2.380 0.068 1.00 20.13 H new ATOM 0 HB ILE A 134 14.820 -3.495 2.779 1.00 31.44 H new ATOM 0 HG12 ILE A 134 16.751 -2.817 1.486 1.00 60.42 H new ATOM 0 HG13 ILE A 134 16.669 -4.563 1.617 1.00 60.42 H new ATOM 0 HG21 ILE A 134 14.520 -5.728 1.745 1.00 64.34 H new ATOM 0 HG22 ILE A 134 13.001 -4.803 1.795 1.00 64.34 H new ATOM 0 HG23 ILE A 134 13.905 -4.948 0.269 1.00 64.34 H new ATOM 0 HD11 ILE A 134 17.354 -3.883 -0.617 1.00 74.32 H new ATOM 0 HD12 ILE A 134 15.777 -4.707 -0.670 1.00 74.32 H new ATOM 0 HD13 ILE A 134 15.860 -2.934 -0.803 1.00 74.32 H new ATOM 1809 N VAL A 135 11.731 -2.587 1.077 1.00 22.24 N ATOM 1810 CA VAL A 135 10.401 -2.640 1.604 1.00 12.21 C ATOM 1811 C VAL A 135 9.966 -4.087 1.725 1.00 43.41 C ATOM 1812 O VAL A 135 9.899 -4.824 0.736 1.00 35.41 O ATOM 1813 CB VAL A 135 9.362 -1.773 0.796 1.00 72.50 C ATOM 1814 CG1 VAL A 135 9.265 -2.172 -0.666 1.00 23.52 C ATOM 1815 CG2 VAL A 135 7.989 -1.801 1.458 1.00 73.31 C ATOM 0 H VAL A 135 11.808 -2.840 0.092 1.00 22.24 H new ATOM 0 HA VAL A 135 10.422 -2.186 2.595 1.00 12.21 H new ATOM 0 HB VAL A 135 9.738 -0.750 0.816 1.00 72.50 H new ATOM 0 HG11 VAL A 135 8.534 -1.539 -1.168 1.00 23.52 H new ATOM 0 HG12 VAL A 135 10.238 -2.050 -1.142 1.00 23.52 H new ATOM 0 HG13 VAL A 135 8.954 -3.214 -0.739 1.00 23.52 H new ATOM 0 HG21 VAL A 135 7.293 -1.194 0.878 1.00 73.31 H new ATOM 0 HG22 VAL A 135 7.626 -2.828 1.501 1.00 73.31 H new ATOM 0 HG23 VAL A 135 8.064 -1.401 2.469 1.00 73.31 H new ATOM 1825 N HIS A 136 9.743 -4.510 2.935 1.00 44.13 N ATOM 1826 CA HIS A 136 9.305 -5.857 3.175 1.00 21.14 C ATOM 1827 C HIS A 136 7.825 -5.916 3.211 1.00 3.13 C ATOM 1828 O HIS A 136 7.185 -5.243 4.026 1.00 60.22 O ATOM 1829 CB HIS A 136 9.909 -6.463 4.449 1.00 14.52 C ATOM 1830 CG HIS A 136 11.361 -6.775 4.332 1.00 12.15 C ATOM 1831 ND1 HIS A 136 11.820 -7.978 3.849 1.00 34.32 N ATOM 1832 CD2 HIS A 136 12.469 -6.041 4.631 1.00 21.53 C ATOM 1833 CE1 HIS A 136 13.135 -7.977 3.852 1.00 0.43 C ATOM 1834 NE2 HIS A 136 13.555 -6.813 4.319 1.00 22.11 N ATOM 0 H HIS A 136 9.857 -3.941 3.774 1.00 44.13 H new ATOM 0 HA HIS A 136 9.668 -6.464 2.345 1.00 21.14 H new ATOM 0 HB2 HIS A 136 9.761 -5.769 5.277 1.00 14.52 H new ATOM 0 HB3 HIS A 136 9.369 -7.376 4.698 1.00 14.52 H new ATOM 0 HD1 HIS A 136 11.232 -8.751 3.537 1.00 34.32 H new ATOM 0 HD2 HIS A 136 12.487 -5.040 5.037 1.00 21.53 H new ATOM 0 HE1 HIS A 136 13.767 -8.791 3.527 1.00 0.43 H new ATOM 1843 N TRP A 137 7.285 -6.674 2.321 1.00 3.22 N ATOM 1844 CA TRP A 137 5.880 -6.848 2.235 1.00 40.11 C ATOM 1845 C TRP A 137 5.477 -8.105 2.957 1.00 21.20 C ATOM 1846 O TRP A 137 5.943 -9.191 2.619 1.00 4.54 O ATOM 1847 CB TRP A 137 5.459 -6.975 0.768 1.00 0.41 C ATOM 1848 CG TRP A 137 5.635 -5.742 -0.061 1.00 13.35 C ATOM 1849 CD1 TRP A 137 6.805 -5.165 -0.483 1.00 11.21 C ATOM 1850 CD2 TRP A 137 4.586 -4.948 -0.599 1.00 64.31 C ATOM 1851 NE1 TRP A 137 6.527 -4.057 -1.233 1.00 24.45 N ATOM 1852 CE2 TRP A 137 5.178 -3.903 -1.319 1.00 64.11 C ATOM 1853 CE3 TRP A 137 3.194 -5.021 -0.533 1.00 42.15 C ATOM 1854 CZ2 TRP A 137 4.435 -2.936 -1.966 1.00 63.13 C ATOM 1855 CZ3 TRP A 137 2.453 -4.062 -1.177 1.00 21.32 C ATOM 1856 CH2 TRP A 137 3.072 -3.031 -1.885 1.00 22.21 C ATOM 0 H TRP A 137 7.815 -7.197 1.624 1.00 3.22 H new ATOM 0 HA TRP A 137 5.394 -5.984 2.688 1.00 40.11 H new ATOM 0 HB2 TRP A 137 6.031 -7.783 0.312 1.00 0.41 H new ATOM 0 HB3 TRP A 137 4.410 -7.269 0.733 1.00 0.41 H new ATOM 0 HD1 TRP A 137 7.796 -5.531 -0.257 1.00 11.21 H new ATOM 0 HE1 TRP A 137 7.221 -3.443 -1.660 1.00 24.45 H new ATOM 0 HE3 TRP A 137 2.709 -5.816 0.014 1.00 42.15 H new ATOM 0 HZ2 TRP A 137 4.910 -2.136 -2.514 1.00 63.13 H new ATOM 0 HZ3 TRP A 137 1.375 -4.106 -1.135 1.00 21.32 H new ATOM 0 HH2 TRP A 137 2.461 -2.291 -2.381 1.00 22.21 H new ATOM 1867 N HIS A 138 4.629 -7.967 3.939 1.00 2.25 N ATOM 1868 CA HIS A 138 4.071 -9.096 4.602 1.00 31.53 C ATOM 1869 C HIS A 138 2.638 -9.188 4.176 1.00 61.43 C ATOM 1870 O HIS A 138 1.821 -8.338 4.529 1.00 43.31 O ATOM 1871 CB HIS A 138 4.170 -8.954 6.147 1.00 10.31 C ATOM 1872 CG HIS A 138 3.530 -10.079 6.938 1.00 33.22 C ATOM 1873 ND1 HIS A 138 4.221 -11.159 7.433 1.00 35.12 N ATOM 1874 CD2 HIS A 138 2.255 -10.256 7.323 1.00 31.01 C ATOM 1875 CE1 HIS A 138 3.394 -11.952 8.087 1.00 55.02 C ATOM 1876 NE2 HIS A 138 2.195 -11.430 8.037 1.00 11.33 N ATOM 0 H HIS A 138 4.310 -7.066 4.296 1.00 2.25 H new ATOM 0 HA HIS A 138 4.620 -9.999 4.335 1.00 31.53 H new ATOM 0 HB2 HIS A 138 5.222 -8.889 6.424 1.00 10.31 H new ATOM 0 HB3 HIS A 138 3.704 -8.013 6.441 1.00 10.31 H new ATOM 0 HD2 HIS A 138 1.427 -9.596 7.110 1.00 31.01 H new ATOM 0 HE1 HIS A 138 3.661 -12.875 8.580 1.00 55.02 H new ATOM 0 HE2 HIS A 138 1.355 -11.828 8.458 1.00 11.33 H new ATOM 1885 N LEU A 139 2.335 -10.187 3.436 1.00 22.12 N ATOM 1886 CA LEU A 139 1.005 -10.401 2.977 1.00 4.22 C ATOM 1887 C LEU A 139 0.465 -11.544 3.741 1.00 2.31 C ATOM 1888 O LEU A 139 1.126 -12.574 3.863 1.00 61.43 O ATOM 1889 CB LEU A 139 0.938 -10.748 1.464 1.00 5.51 C ATOM 1890 CG LEU A 139 1.455 -9.715 0.441 1.00 4.21 C ATOM 1891 CD1 LEU A 139 2.964 -9.549 0.497 1.00 62.23 C ATOM 1892 CD2 LEU A 139 1.010 -10.086 -0.958 1.00 14.54 C ATOM 0 H LEU A 139 3.006 -10.890 3.125 1.00 22.12 H new ATOM 0 HA LEU A 139 0.435 -9.483 3.122 1.00 4.22 H new ATOM 0 HB2 LEU A 139 1.497 -11.671 1.312 1.00 5.51 H new ATOM 0 HB3 LEU A 139 -0.103 -10.962 1.220 1.00 5.51 H new ATOM 0 HG LEU A 139 1.019 -8.752 0.709 1.00 4.21 H new ATOM 0 HD11 LEU A 139 3.277 -8.811 -0.242 1.00 62.23 H new ATOM 0 HD12 LEU A 139 3.256 -9.212 1.492 1.00 62.23 H new ATOM 0 HD13 LEU A 139 3.443 -10.504 0.282 1.00 62.23 H new ATOM 0 HD21 LEU A 139 1.383 -9.347 -1.667 1.00 14.54 H new ATOM 0 HD22 LEU A 139 1.405 -11.069 -1.217 1.00 14.54 H new ATOM 0 HD23 LEU A 139 -0.079 -10.110 -0.999 1.00 14.54 H new ATOM 1904 N GLU A 140 -0.683 -11.381 4.282 1.00 73.24 N ATOM 1905 CA GLU A 140 -1.278 -12.428 5.008 1.00 45.41 C ATOM 1906 C GLU A 140 -2.744 -12.393 4.652 1.00 14.50 C ATOM 1907 O GLU A 140 -3.414 -11.385 4.829 1.00 41.15 O ATOM 1908 CB GLU A 140 -1.032 -12.144 6.479 1.00 20.00 C ATOM 1909 CG GLU A 140 -1.306 -13.270 7.431 1.00 41.55 C ATOM 1910 CD GLU A 140 -0.966 -12.845 8.828 1.00 51.11 C ATOM 1911 OE1 GLU A 140 0.211 -12.982 9.228 1.00 3.52 O ATOM 1912 OE2 GLU A 140 -1.843 -12.326 9.533 1.00 11.00 O ATOM 0 H GLU A 140 -1.231 -10.522 4.233 1.00 73.24 H new ATOM 0 HA GLU A 140 -0.878 -13.417 4.784 1.00 45.41 H new ATOM 0 HB2 GLU A 140 0.008 -11.841 6.599 1.00 20.00 H new ATOM 0 HB3 GLU A 140 -1.648 -11.293 6.770 1.00 20.00 H new ATOM 0 HG2 GLU A 140 -2.355 -13.560 7.374 1.00 41.55 H new ATOM 0 HG3 GLU A 140 -0.718 -14.145 7.153 1.00 41.55 H new ATOM 1919 N TYR A 141 -3.226 -13.473 4.186 1.00 41.04 N ATOM 1920 CA TYR A 141 -4.540 -13.541 3.632 1.00 52.33 C ATOM 1921 C TYR A 141 -5.093 -14.931 3.765 1.00 35.24 C ATOM 1922 O TYR A 141 -4.362 -15.870 4.051 1.00 14.12 O ATOM 1923 CB TYR A 141 -4.500 -13.061 2.154 1.00 60.22 C ATOM 1924 CG TYR A 141 -3.496 -13.797 1.271 1.00 34.32 C ATOM 1925 CD1 TYR A 141 -2.131 -13.513 1.328 1.00 12.34 C ATOM 1926 CD2 TYR A 141 -3.910 -14.769 0.403 1.00 21.53 C ATOM 1927 CE1 TYR A 141 -1.222 -14.197 0.545 1.00 22.02 C ATOM 1928 CE2 TYR A 141 -3.018 -15.453 -0.389 1.00 32.13 C ATOM 1929 CZ TYR A 141 -1.675 -15.171 -0.314 1.00 2.41 C ATOM 1930 OH TYR A 141 -0.781 -15.872 -1.100 1.00 3.31 O ATOM 0 H TYR A 141 -2.720 -14.359 4.172 1.00 41.04 H new ATOM 0 HA TYR A 141 -5.210 -12.881 4.182 1.00 52.33 H new ATOM 0 HB2 TYR A 141 -5.494 -13.175 1.722 1.00 60.22 H new ATOM 0 HB3 TYR A 141 -4.265 -11.997 2.138 1.00 60.22 H new ATOM 0 HD1 TYR A 141 -1.778 -12.743 1.998 1.00 12.34 H new ATOM 0 HD2 TYR A 141 -4.962 -15.005 0.338 1.00 21.53 H new ATOM 0 HE1 TYR A 141 -0.168 -13.970 0.606 1.00 22.02 H new ATOM 0 HE2 TYR A 141 -3.373 -16.212 -1.070 1.00 32.13 H new ATOM 0 HH TYR A 141 -1.267 -16.523 -1.647 1.00 3.31 H new ATOM 1940 N GLU A 142 -6.352 -15.063 3.571 1.00 15.52 N ATOM 1941 CA GLU A 142 -6.993 -16.320 3.734 1.00 72.11 C ATOM 1942 C GLU A 142 -7.765 -16.663 2.473 1.00 3.23 C ATOM 1943 O GLU A 142 -8.682 -15.921 2.072 1.00 5.23 O ATOM 1944 CB GLU A 142 -7.902 -16.227 4.953 1.00 64.33 C ATOM 1945 CG GLU A 142 -8.611 -17.491 5.348 1.00 52.34 C ATOM 1946 CD GLU A 142 -9.401 -17.281 6.606 1.00 42.24 C ATOM 1947 OE1 GLU A 142 -10.511 -16.716 6.537 1.00 73.54 O ATOM 1948 OE2 GLU A 142 -8.923 -17.658 7.691 1.00 61.12 O ATOM 0 H GLU A 142 -6.972 -14.302 3.294 1.00 15.52 H new ATOM 0 HA GLU A 142 -6.268 -17.118 3.895 1.00 72.11 H new ATOM 0 HB2 GLU A 142 -7.306 -15.889 5.801 1.00 64.33 H new ATOM 0 HB3 GLU A 142 -8.651 -15.458 4.764 1.00 64.33 H new ATOM 0 HG2 GLU A 142 -9.275 -17.809 4.544 1.00 52.34 H new ATOM 0 HG3 GLU A 142 -7.885 -18.290 5.497 1.00 52.34 H new ATOM 1955 N LYS A 143 -7.369 -17.759 1.830 1.00 5.33 N ATOM 1956 CA LYS A 143 -8.017 -18.223 0.610 1.00 15.33 C ATOM 1957 C LYS A 143 -9.442 -18.630 0.865 1.00 63.43 C ATOM 1958 O LYS A 143 -9.755 -19.170 1.915 1.00 1.22 O ATOM 1959 CB LYS A 143 -7.321 -19.469 0.008 1.00 24.23 C ATOM 1960 CG LYS A 143 -6.035 -19.279 -0.788 1.00 31.51 C ATOM 1961 CD LYS A 143 -4.865 -18.754 0.000 1.00 74.43 C ATOM 1962 CE LYS A 143 -3.618 -18.779 -0.879 1.00 35.15 C ATOM 1963 NZ LYS A 143 -3.229 -20.166 -1.260 1.00 63.35 N ATOM 0 H LYS A 143 -6.594 -18.346 2.139 1.00 5.33 H new ATOM 0 HA LYS A 143 -7.957 -17.380 -0.079 1.00 15.33 H new ATOM 0 HB2 LYS A 143 -7.104 -20.154 0.828 1.00 24.23 H new ATOM 0 HB3 LYS A 143 -8.041 -19.967 -0.642 1.00 24.23 H new ATOM 0 HG2 LYS A 143 -5.755 -20.236 -1.230 1.00 31.51 H new ATOM 0 HG3 LYS A 143 -6.234 -18.594 -1.612 1.00 31.51 H new ATOM 0 HD2 LYS A 143 -5.066 -17.738 0.339 1.00 74.43 H new ATOM 0 HD3 LYS A 143 -4.709 -19.362 0.891 1.00 74.43 H new ATOM 0 HE2 LYS A 143 -3.798 -18.193 -1.780 1.00 35.15 H new ATOM 0 HE3 LYS A 143 -2.792 -18.304 -0.350 1.00 35.15 H new ATOM 0 HZ1 LYS A 143 -2.264 -20.361 -0.924 1.00 63.35 H new ATOM 0 HZ2 LYS A 143 -3.889 -20.843 -0.827 1.00 63.35 H new ATOM 0 HZ3 LYS A 143 -3.262 -20.264 -2.295 1.00 63.35 H new ATOM 1977 N ILE A 144 -10.304 -18.359 -0.086 1.00 22.43 N ATOM 1978 CA ILE A 144 -11.621 -18.945 -0.062 1.00 71.05 C ATOM 1979 C ILE A 144 -11.453 -20.385 -0.470 1.00 0.45 C ATOM 1980 O ILE A 144 -11.975 -21.309 0.145 1.00 74.21 O ATOM 1981 CB ILE A 144 -12.585 -18.221 -1.033 1.00 2.33 C ATOM 1982 CG1 ILE A 144 -12.938 -16.841 -0.476 1.00 33.30 C ATOM 1983 CG2 ILE A 144 -13.826 -19.060 -1.326 1.00 62.44 C ATOM 1984 CD1 ILE A 144 -13.886 -16.038 -1.325 1.00 45.24 C ATOM 0 H ILE A 144 -10.119 -17.743 -0.878 1.00 22.43 H new ATOM 0 HA ILE A 144 -12.058 -18.856 0.932 1.00 71.05 H new ATOM 0 HB ILE A 144 -12.081 -18.083 -1.990 1.00 2.33 H new ATOM 0 HG12 ILE A 144 -13.377 -16.966 0.514 1.00 33.30 H new ATOM 0 HG13 ILE A 144 -12.018 -16.271 -0.347 1.00 33.30 H new ATOM 0 HG21 ILE A 144 -14.478 -18.518 -2.011 1.00 62.44 H new ATOM 0 HG22 ILE A 144 -13.528 -20.005 -1.780 1.00 62.44 H new ATOM 0 HG23 ILE A 144 -14.360 -19.257 -0.396 1.00 62.44 H new ATOM 0 HD11 ILE A 144 -14.076 -15.076 -0.848 1.00 45.24 H new ATOM 0 HD12 ILE A 144 -13.445 -15.875 -2.308 1.00 45.24 H new ATOM 0 HD13 ILE A 144 -14.825 -16.580 -1.434 1.00 45.24 H new ATOM 1996 N SER A 145 -10.697 -20.543 -1.508 1.00 1.25 N ATOM 1997 CA SER A 145 -10.302 -21.790 -2.043 1.00 21.41 C ATOM 1998 C SER A 145 -9.042 -21.528 -2.866 1.00 51.05 C ATOM 1999 O SER A 145 -8.841 -20.404 -3.344 1.00 72.52 O ATOM 2000 CB SER A 145 -11.433 -22.410 -2.881 1.00 51.34 C ATOM 2001 OG SER A 145 -12.587 -22.687 -2.087 1.00 3.02 O ATOM 0 H SER A 145 -10.320 -19.752 -2.031 1.00 1.25 H new ATOM 0 HA SER A 145 -10.090 -22.515 -1.257 1.00 21.41 H new ATOM 0 HB2 SER A 145 -11.702 -21.730 -3.689 1.00 51.34 H new ATOM 0 HB3 SER A 145 -11.080 -23.331 -3.344 1.00 51.34 H new ATOM 0 HG SER A 145 -12.396 -22.480 -1.148 1.00 3.02 H new ATOM 2007 N GLU A 146 -8.225 -22.527 -3.016 1.00 31.14 N ATOM 2008 CA GLU A 146 -6.912 -22.416 -3.664 1.00 30.12 C ATOM 2009 C GLU A 146 -6.989 -21.942 -5.094 1.00 13.12 C ATOM 2010 O GLU A 146 -6.411 -20.916 -5.448 1.00 13.33 O ATOM 2011 CB GLU A 146 -6.226 -23.747 -3.619 1.00 41.04 C ATOM 2012 CG GLU A 146 -5.793 -24.165 -2.229 1.00 34.22 C ATOM 2013 CD GLU A 146 -4.705 -23.268 -1.682 1.00 1.45 C ATOM 2014 OE1 GLU A 146 -5.010 -22.241 -1.059 1.00 11.14 O ATOM 2015 OE2 GLU A 146 -3.512 -23.581 -1.886 1.00 62.14 O ATOM 0 H GLU A 146 -8.438 -23.470 -2.691 1.00 31.14 H new ATOM 0 HA GLU A 146 -6.348 -21.664 -3.112 1.00 30.12 H new ATOM 0 HB2 GLU A 146 -6.897 -24.505 -4.024 1.00 41.04 H new ATOM 0 HB3 GLU A 146 -5.351 -23.716 -4.268 1.00 41.04 H new ATOM 0 HG2 GLU A 146 -6.653 -24.142 -1.559 1.00 34.22 H new ATOM 0 HG3 GLU A 146 -5.436 -25.194 -2.255 1.00 34.22 H new ATOM 2022 N GLU A 147 -7.715 -22.682 -5.898 1.00 23.21 N ATOM 2023 CA GLU A 147 -7.878 -22.406 -7.324 1.00 42.32 C ATOM 2024 C GLU A 147 -8.604 -21.089 -7.549 1.00 43.42 C ATOM 2025 O GLU A 147 -8.545 -20.490 -8.634 1.00 1.31 O ATOM 2026 CB GLU A 147 -8.650 -23.547 -7.974 1.00 70.40 C ATOM 2027 CG GLU A 147 -7.966 -24.892 -7.838 1.00 34.13 C ATOM 2028 CD GLU A 147 -6.620 -24.918 -8.506 1.00 12.23 C ATOM 2029 OE1 GLU A 147 -6.567 -25.111 -9.735 1.00 15.34 O ATOM 2030 OE2 GLU A 147 -5.595 -24.749 -7.826 1.00 42.32 O ATOM 0 H GLU A 147 -8.222 -23.509 -5.584 1.00 23.21 H new ATOM 0 HA GLU A 147 -6.890 -22.325 -7.778 1.00 42.32 H new ATOM 0 HB2 GLU A 147 -9.642 -23.606 -7.526 1.00 70.40 H new ATOM 0 HB3 GLU A 147 -8.790 -23.325 -9.032 1.00 70.40 H new ATOM 0 HG2 GLU A 147 -7.849 -25.132 -6.781 1.00 34.13 H new ATOM 0 HG3 GLU A 147 -8.600 -25.665 -8.273 1.00 34.13 H new ATOM 2037 N VAL A 148 -9.284 -20.655 -6.532 1.00 33.40 N ATOM 2038 CA VAL A 148 -10.058 -19.430 -6.579 1.00 4.45 C ATOM 2039 C VAL A 148 -9.150 -18.216 -6.327 1.00 22.34 C ATOM 2040 O VAL A 148 -9.407 -17.122 -6.810 1.00 61.42 O ATOM 2041 CB VAL A 148 -11.212 -19.479 -5.536 1.00 54.20 C ATOM 2042 CG1 VAL A 148 -12.070 -18.222 -5.580 1.00 75.22 C ATOM 2043 CG2 VAL A 148 -12.065 -20.715 -5.765 1.00 54.41 C ATOM 0 H VAL A 148 -9.324 -21.137 -5.634 1.00 33.40 H new ATOM 0 HA VAL A 148 -10.497 -19.331 -7.572 1.00 4.45 H new ATOM 0 HB VAL A 148 -10.764 -19.530 -4.544 1.00 54.20 H new ATOM 0 HG11 VAL A 148 -12.864 -18.297 -4.837 1.00 75.22 H new ATOM 0 HG12 VAL A 148 -11.451 -17.351 -5.364 1.00 75.22 H new ATOM 0 HG13 VAL A 148 -12.510 -18.117 -6.571 1.00 75.22 H new ATOM 0 HG21 VAL A 148 -12.870 -20.742 -5.031 1.00 54.41 H new ATOM 0 HG22 VAL A 148 -12.489 -20.683 -6.769 1.00 54.41 H new ATOM 0 HG23 VAL A 148 -11.448 -21.607 -5.660 1.00 54.41 H new ATOM 2053 N ALA A 149 -8.076 -18.446 -5.614 1.00 50.21 N ATOM 2054 CA ALA A 149 -7.148 -17.400 -5.250 1.00 14.34 C ATOM 2055 C ALA A 149 -6.144 -17.142 -6.363 1.00 44.42 C ATOM 2056 O ALA A 149 -5.939 -17.986 -7.234 1.00 1.23 O ATOM 2057 CB ALA A 149 -6.432 -17.786 -3.987 1.00 52.41 C ATOM 0 H ALA A 149 -7.818 -19.370 -5.267 1.00 50.21 H new ATOM 0 HA ALA A 149 -7.709 -16.480 -5.088 1.00 14.34 H new ATOM 0 HB1 ALA A 149 -5.731 -16.998 -3.711 1.00 52.41 H new ATOM 0 HB2 ALA A 149 -7.157 -17.924 -3.185 1.00 52.41 H new ATOM 0 HB3 ALA A 149 -5.887 -18.716 -4.147 1.00 52.41 H new ATOM 2063 N HIS A 150 -5.511 -15.983 -6.330 1.00 53.21 N ATOM 2064 CA HIS A 150 -4.537 -15.600 -7.347 1.00 3.34 C ATOM 2065 C HIS A 150 -3.323 -14.935 -6.696 1.00 12.20 C ATOM 2066 O HIS A 150 -3.309 -13.729 -6.509 1.00 21.15 O ATOM 2067 CB HIS A 150 -5.135 -14.624 -8.402 1.00 35.14 C ATOM 2068 CG HIS A 150 -6.239 -15.170 -9.270 1.00 53.30 C ATOM 2069 ND1 HIS A 150 -6.072 -15.462 -10.603 1.00 4.22 N ATOM 2070 CD2 HIS A 150 -7.537 -15.431 -8.997 1.00 52.14 C ATOM 2071 CE1 HIS A 150 -7.213 -15.874 -11.109 1.00 52.30 C ATOM 2072 NE2 HIS A 150 -8.120 -15.863 -10.154 1.00 2.24 N ATOM 0 H HIS A 150 -5.654 -15.281 -5.603 1.00 53.21 H new ATOM 0 HA HIS A 150 -4.241 -16.517 -7.857 1.00 3.34 H new ATOM 0 HB2 HIS A 150 -5.514 -13.746 -7.879 1.00 35.14 H new ATOM 0 HB3 HIS A 150 -4.327 -14.285 -9.050 1.00 35.14 H new ATOM 0 HD2 HIS A 150 -8.024 -15.319 -8.039 1.00 52.14 H new ATOM 0 HE1 HIS A 150 -7.379 -16.171 -12.134 1.00 52.30 H new ATOM 0 HE2 HIS A 150 -9.098 -16.133 -10.261 1.00 2.24 H new ATOM 2081 N PRO A 151 -2.314 -15.710 -6.271 1.00 43.15 N ATOM 2082 CA PRO A 151 -1.074 -15.149 -5.690 1.00 12.55 C ATOM 2083 C PRO A 151 -0.314 -14.256 -6.685 1.00 72.14 C ATOM 2084 O PRO A 151 0.407 -13.333 -6.290 1.00 41.43 O ATOM 2085 CB PRO A 151 -0.241 -16.391 -5.353 1.00 24.04 C ATOM 2086 CG PRO A 151 -1.231 -17.498 -5.255 1.00 1.40 C ATOM 2087 CD PRO A 151 -2.308 -17.184 -6.252 1.00 13.31 C ATOM 0 HA PRO A 151 -1.283 -14.511 -4.831 1.00 12.55 H new ATOM 0 HB2 PRO A 151 0.501 -16.591 -6.126 1.00 24.04 H new ATOM 0 HB3 PRO A 151 0.301 -16.261 -4.416 1.00 24.04 H new ATOM 0 HG2 PRO A 151 -0.765 -18.458 -5.475 1.00 1.40 H new ATOM 0 HG3 PRO A 151 -1.641 -17.566 -4.247 1.00 1.40 H new ATOM 0 HD2 PRO A 151 -2.084 -17.600 -7.234 1.00 13.31 H new ATOM 0 HD3 PRO A 151 -3.273 -17.589 -5.946 1.00 13.31 H new ATOM 2095 N GLU A 152 -0.511 -14.528 -7.971 1.00 74.13 N ATOM 2096 CA GLU A 152 0.146 -13.797 -9.055 1.00 25.33 C ATOM 2097 C GLU A 152 -0.197 -12.327 -8.997 1.00 2.45 C ATOM 2098 O GLU A 152 0.673 -11.454 -9.061 1.00 42.24 O ATOM 2099 CB GLU A 152 -0.376 -14.308 -10.384 1.00 44.01 C ATOM 2100 CG GLU A 152 -0.196 -15.776 -10.611 1.00 41.42 C ATOM 2101 CD GLU A 152 1.246 -16.199 -10.575 1.00 63.12 C ATOM 2102 OE1 GLU A 152 2.016 -15.772 -11.459 1.00 40.32 O ATOM 2103 OE2 GLU A 152 1.633 -16.982 -9.672 1.00 73.41 O ATOM 0 H GLU A 152 -1.135 -15.267 -8.295 1.00 74.13 H new ATOM 0 HA GLU A 152 1.222 -13.941 -8.953 1.00 25.33 H new ATOM 0 HB2 GLU A 152 -1.438 -14.072 -10.455 1.00 44.01 H new ATOM 0 HB3 GLU A 152 0.125 -13.767 -11.187 1.00 44.01 H new ATOM 0 HG2 GLU A 152 -0.750 -16.327 -9.851 1.00 41.42 H new ATOM 0 HG3 GLU A 152 -0.625 -16.045 -11.576 1.00 41.42 H new ATOM 2110 N THR A 153 -1.466 -12.069 -8.834 1.00 42.02 N ATOM 2111 CA THR A 153 -1.987 -10.746 -8.866 1.00 13.42 C ATOM 2112 C THR A 153 -1.558 -9.949 -7.643 1.00 44.13 C ATOM 2113 O THR A 153 -1.408 -8.734 -7.712 1.00 41.51 O ATOM 2114 CB THR A 153 -3.508 -10.771 -9.059 1.00 15.41 C ATOM 2115 OG1 THR A 153 -4.111 -11.466 -7.977 1.00 74.01 O ATOM 2116 CG2 THR A 153 -3.828 -11.517 -10.352 1.00 51.44 C ATOM 0 H THR A 153 -2.171 -12.789 -8.673 1.00 42.02 H new ATOM 0 HA THR A 153 -1.565 -10.227 -9.726 1.00 13.42 H new ATOM 0 HB THR A 153 -3.888 -9.750 -9.102 1.00 15.41 H new ATOM 0 HG1 THR A 153 -3.476 -12.116 -7.611 1.00 74.01 H new ATOM 0 HG21 THR A 153 -4.908 -11.541 -10.500 1.00 51.44 H new ATOM 0 HG22 THR A 153 -3.358 -11.007 -11.192 1.00 51.44 H new ATOM 0 HG23 THR A 153 -3.447 -12.536 -10.288 1.00 51.44 H new ATOM 2124 N LEU A 154 -1.358 -10.646 -6.523 1.00 35.14 N ATOM 2125 CA LEU A 154 -0.808 -10.039 -5.319 1.00 41.30 C ATOM 2126 C LEU A 154 0.593 -9.542 -5.558 1.00 61.01 C ATOM 2127 O LEU A 154 0.925 -8.437 -5.165 1.00 2.41 O ATOM 2128 CB LEU A 154 -0.825 -11.004 -4.130 1.00 73.54 C ATOM 2129 CG LEU A 154 -2.136 -11.141 -3.351 1.00 42.30 C ATOM 2130 CD1 LEU A 154 -3.297 -11.495 -4.226 1.00 52.22 C ATOM 2131 CD2 LEU A 154 -1.983 -12.156 -2.254 1.00 53.44 C ATOM 0 H LEU A 154 -1.572 -11.639 -6.429 1.00 35.14 H new ATOM 0 HA LEU A 154 -1.448 -9.192 -5.072 1.00 41.30 H new ATOM 0 HB2 LEU A 154 -0.545 -11.992 -4.495 1.00 73.54 H new ATOM 0 HB3 LEU A 154 -0.049 -10.691 -3.431 1.00 73.54 H new ATOM 0 HG LEU A 154 -2.352 -10.164 -2.919 1.00 42.30 H new ATOM 0 HD11 LEU A 154 -4.198 -11.579 -3.619 1.00 52.22 H new ATOM 0 HD12 LEU A 154 -3.437 -10.718 -4.977 1.00 52.22 H new ATOM 0 HD13 LEU A 154 -3.103 -12.447 -4.720 1.00 52.22 H new ATOM 0 HD21 LEU A 154 -2.922 -12.245 -1.707 1.00 53.44 H new ATOM 0 HD22 LEU A 154 -1.722 -13.122 -2.686 1.00 53.44 H new ATOM 0 HD23 LEU A 154 -1.194 -11.839 -1.572 1.00 53.44 H new ATOM 2143 N LEU A 155 1.415 -10.345 -6.213 1.00 55.13 N ATOM 2144 CA LEU A 155 2.771 -9.923 -6.512 1.00 73.21 C ATOM 2145 C LEU A 155 2.788 -8.791 -7.515 1.00 3.44 C ATOM 2146 O LEU A 155 3.599 -7.868 -7.400 1.00 52.12 O ATOM 2147 CB LEU A 155 3.667 -11.083 -6.934 1.00 34.01 C ATOM 2148 CG LEU A 155 3.941 -12.125 -5.843 1.00 22.42 C ATOM 2149 CD1 LEU A 155 4.884 -13.185 -6.347 1.00 72.32 C ATOM 2150 CD2 LEU A 155 4.517 -11.462 -4.598 1.00 34.11 C ATOM 0 H LEU A 155 1.171 -11.279 -6.543 1.00 55.13 H new ATOM 0 HA LEU A 155 3.196 -9.540 -5.584 1.00 73.21 H new ATOM 0 HB2 LEU A 155 3.208 -11.584 -7.786 1.00 34.01 H new ATOM 0 HB3 LEU A 155 4.620 -10.680 -7.277 1.00 34.01 H new ATOM 0 HG LEU A 155 2.994 -12.596 -5.580 1.00 22.42 H new ATOM 0 HD11 LEU A 155 5.066 -13.915 -5.558 1.00 72.32 H new ATOM 0 HD12 LEU A 155 4.442 -13.685 -7.209 1.00 72.32 H new ATOM 0 HD13 LEU A 155 5.827 -12.724 -6.639 1.00 72.32 H new ATOM 0 HD21 LEU A 155 4.704 -12.219 -3.836 1.00 34.11 H new ATOM 0 HD22 LEU A 155 5.452 -10.963 -4.851 1.00 34.11 H new ATOM 0 HD23 LEU A 155 3.807 -10.729 -4.215 1.00 34.11 H new ATOM 2162 N GLN A 156 1.874 -8.839 -8.477 1.00 24.52 N ATOM 2163 CA GLN A 156 1.730 -7.742 -9.423 1.00 12.51 C ATOM 2164 C GLN A 156 1.287 -6.480 -8.679 1.00 31.44 C ATOM 2165 O GLN A 156 1.759 -5.387 -8.959 1.00 62.05 O ATOM 2166 CB GLN A 156 0.725 -8.082 -10.532 1.00 3.31 C ATOM 2167 CG GLN A 156 1.117 -9.273 -11.396 1.00 30.21 C ATOM 2168 CD GLN A 156 2.446 -9.085 -12.116 1.00 2.31 C ATOM 2169 OE1 GLN A 156 2.846 -7.966 -12.447 1.00 3.31 O ATOM 2170 NE2 GLN A 156 3.123 -10.172 -12.376 1.00 11.33 N ATOM 0 H GLN A 156 1.229 -9.616 -8.621 1.00 24.52 H new ATOM 0 HA GLN A 156 2.697 -7.570 -9.896 1.00 12.51 H new ATOM 0 HB2 GLN A 156 -0.245 -8.283 -10.077 1.00 3.31 H new ATOM 0 HB3 GLN A 156 0.602 -7.209 -11.173 1.00 3.31 H new ATOM 0 HG2 GLN A 156 1.174 -10.164 -10.770 1.00 30.21 H new ATOM 0 HG3 GLN A 156 0.334 -9.451 -12.134 1.00 30.21 H new ATOM 0 HE21 GLN A 156 2.760 -11.080 -12.086 1.00 11.33 H new ATOM 0 HE22 GLN A 156 4.014 -10.112 -12.868 1.00 11.33 H new ATOM 2179 N PHE A 157 0.393 -6.659 -7.713 1.00 32.24 N ATOM 2180 CA PHE A 157 -0.090 -5.569 -6.876 1.00 52.13 C ATOM 2181 C PHE A 157 1.071 -4.966 -6.076 1.00 54.14 C ATOM 2182 O PHE A 157 1.257 -3.748 -6.052 1.00 42.00 O ATOM 2183 CB PHE A 157 -1.213 -6.098 -5.944 1.00 75.32 C ATOM 2184 CG PHE A 157 -1.796 -5.109 -4.970 1.00 12.30 C ATOM 2185 CD1 PHE A 157 -2.301 -3.898 -5.406 1.00 53.21 C ATOM 2186 CD2 PHE A 157 -1.862 -5.407 -3.614 1.00 75.12 C ATOM 2187 CE1 PHE A 157 -2.856 -2.998 -4.522 1.00 75.14 C ATOM 2188 CE2 PHE A 157 -2.418 -4.501 -2.720 1.00 61.44 C ATOM 2189 CZ PHE A 157 -2.913 -3.299 -3.178 1.00 22.33 C ATOM 0 H PHE A 157 -0.017 -7.565 -7.489 1.00 32.24 H new ATOM 0 HA PHE A 157 -0.506 -4.777 -7.499 1.00 52.13 H new ATOM 0 HB2 PHE A 157 -2.021 -6.481 -6.567 1.00 75.32 H new ATOM 0 HB3 PHE A 157 -0.818 -6.942 -5.379 1.00 75.32 H new ATOM 0 HD1 PHE A 157 -2.260 -3.653 -6.457 1.00 53.21 H new ATOM 0 HD2 PHE A 157 -1.478 -6.350 -3.253 1.00 75.12 H new ATOM 0 HE1 PHE A 157 -3.246 -2.057 -4.882 1.00 75.14 H new ATOM 0 HE2 PHE A 157 -2.462 -4.738 -1.667 1.00 61.44 H new ATOM 0 HZ PHE A 157 -3.345 -2.593 -2.484 1.00 22.33 H new ATOM 2199 N CYS A 158 1.861 -5.833 -5.470 1.00 62.33 N ATOM 2200 CA CYS A 158 2.990 -5.419 -4.663 1.00 64.14 C ATOM 2201 C CYS A 158 4.035 -4.680 -5.487 1.00 3.30 C ATOM 2202 O CYS A 158 4.477 -3.594 -5.101 1.00 12.54 O ATOM 2203 CB CYS A 158 3.630 -6.619 -3.960 1.00 43.15 C ATOM 2204 SG CYS A 158 2.512 -7.527 -2.874 1.00 11.43 S ATOM 0 H CYS A 158 1.737 -6.844 -5.524 1.00 62.33 H new ATOM 0 HA CYS A 158 2.607 -4.731 -3.910 1.00 64.14 H new ATOM 0 HB2 CYS A 158 4.019 -7.302 -4.715 1.00 43.15 H new ATOM 0 HB3 CYS A 158 4.482 -6.271 -3.376 1.00 43.15 H new ATOM 0 HG CYS A 158 1.595 -8.111 -3.586 1.00 11.43 H new ATOM 2210 N VAL A 159 4.412 -5.244 -6.630 1.00 24.32 N ATOM 2211 CA VAL A 159 5.453 -4.645 -7.435 1.00 33.14 C ATOM 2212 C VAL A 159 5.051 -3.254 -7.907 1.00 71.33 C ATOM 2213 O VAL A 159 5.816 -2.315 -7.770 1.00 54.44 O ATOM 2214 CB VAL A 159 5.903 -5.546 -8.642 1.00 45.34 C ATOM 2215 CG1 VAL A 159 4.829 -5.709 -9.709 1.00 62.52 C ATOM 2216 CG2 VAL A 159 7.220 -5.068 -9.233 1.00 41.22 C ATOM 0 H VAL A 159 4.015 -6.103 -7.010 1.00 24.32 H new ATOM 0 HA VAL A 159 6.323 -4.553 -6.785 1.00 33.14 H new ATOM 0 HB VAL A 159 6.063 -6.543 -8.231 1.00 45.34 H new ATOM 0 HG11 VAL A 159 5.207 -6.342 -10.512 1.00 62.52 H new ATOM 0 HG12 VAL A 159 3.945 -6.171 -9.268 1.00 62.52 H new ATOM 0 HG13 VAL A 159 4.565 -4.731 -10.112 1.00 62.52 H new ATOM 0 HG21 VAL A 159 7.501 -5.714 -10.065 1.00 41.22 H new ATOM 0 HG22 VAL A 159 7.108 -4.044 -9.590 1.00 41.22 H new ATOM 0 HG23 VAL A 159 7.996 -5.103 -8.468 1.00 41.22 H new ATOM 2226 N GLU A 160 3.825 -3.124 -8.389 1.00 41.52 N ATOM 2227 CA GLU A 160 3.324 -1.851 -8.915 1.00 44.42 C ATOM 2228 C GLU A 160 3.317 -0.767 -7.869 1.00 14.41 C ATOM 2229 O GLU A 160 3.860 0.325 -8.093 1.00 41.22 O ATOM 2230 CB GLU A 160 1.948 -2.019 -9.548 1.00 42.34 C ATOM 2231 CG GLU A 160 1.964 -2.880 -10.794 1.00 41.54 C ATOM 2232 CD GLU A 160 2.767 -2.263 -11.917 1.00 43.43 C ATOM 2233 OE1 GLU A 160 3.995 -2.151 -11.805 1.00 63.25 O ATOM 2234 OE2 GLU A 160 2.173 -1.906 -12.947 1.00 21.23 O ATOM 0 H GLU A 160 3.149 -3.887 -8.429 1.00 41.52 H new ATOM 0 HA GLU A 160 4.016 -1.534 -9.695 1.00 44.42 H new ATOM 0 HB2 GLU A 160 1.271 -2.462 -8.817 1.00 42.34 H new ATOM 0 HB3 GLU A 160 1.548 -1.036 -9.799 1.00 42.34 H new ATOM 0 HG2 GLU A 160 2.379 -3.858 -10.550 1.00 41.54 H new ATOM 0 HG3 GLU A 160 0.940 -3.043 -11.131 1.00 41.54 H new ATOM 2241 N VAL A 161 2.760 -1.078 -6.711 1.00 51.32 N ATOM 2242 CA VAL A 161 2.704 -0.134 -5.607 1.00 74.41 C ATOM 2243 C VAL A 161 4.115 0.271 -5.174 1.00 2.01 C ATOM 2244 O VAL A 161 4.347 1.415 -4.794 1.00 53.45 O ATOM 2245 CB VAL A 161 1.880 -0.682 -4.408 1.00 42.44 C ATOM 2246 CG1 VAL A 161 1.892 0.294 -3.229 1.00 45.14 C ATOM 2247 CG2 VAL A 161 0.443 -0.948 -4.833 1.00 34.23 C ATOM 0 H VAL A 161 2.337 -1.984 -6.510 1.00 51.32 H new ATOM 0 HA VAL A 161 2.185 0.756 -5.963 1.00 74.41 H new ATOM 0 HB VAL A 161 2.345 -1.614 -4.088 1.00 42.44 H new ATOM 0 HG11 VAL A 161 1.307 -0.120 -2.408 1.00 45.14 H new ATOM 0 HG12 VAL A 161 2.919 0.453 -2.899 1.00 45.14 H new ATOM 0 HG13 VAL A 161 1.459 1.245 -3.540 1.00 45.14 H new ATOM 0 HG21 VAL A 161 -0.123 -1.331 -3.984 1.00 34.23 H new ATOM 0 HG22 VAL A 161 -0.011 -0.021 -5.182 1.00 34.23 H new ATOM 0 HG23 VAL A 161 0.432 -1.683 -5.638 1.00 34.23 H new ATOM 2257 N SER A 162 5.056 -0.667 -5.272 1.00 14.34 N ATOM 2258 CA SER A 162 6.438 -0.404 -4.925 1.00 24.50 C ATOM 2259 C SER A 162 7.025 0.776 -5.712 1.00 33.11 C ATOM 2260 O SER A 162 7.722 1.594 -5.143 1.00 13.21 O ATOM 2261 CB SER A 162 7.274 -1.643 -5.093 1.00 23.32 C ATOM 2262 OG SER A 162 6.824 -2.665 -4.219 1.00 43.30 O ATOM 0 H SER A 162 4.877 -1.619 -5.592 1.00 14.34 H new ATOM 0 HA SER A 162 6.457 -0.116 -3.874 1.00 24.50 H new ATOM 0 HB2 SER A 162 7.220 -1.989 -6.125 1.00 23.32 H new ATOM 0 HB3 SER A 162 8.320 -1.414 -4.888 1.00 23.32 H new ATOM 0 HG SER A 162 6.103 -3.170 -4.650 1.00 43.30 H new ATOM 2268 N LYS A 163 6.726 0.881 -7.017 1.00 14.00 N ATOM 2269 CA LYS A 163 7.206 2.050 -7.770 1.00 20.02 C ATOM 2270 C LYS A 163 6.424 3.276 -7.370 1.00 63.32 C ATOM 2271 O LYS A 163 6.993 4.322 -7.150 1.00 54.31 O ATOM 2272 CB LYS A 163 7.151 1.908 -9.318 1.00 25.20 C ATOM 2273 CG LYS A 163 8.141 0.932 -9.983 1.00 31.40 C ATOM 2274 CD LYS A 163 7.845 -0.527 -9.700 1.00 72.23 C ATOM 2275 CE LYS A 163 6.465 -0.936 -10.212 1.00 31.41 C ATOM 2276 NZ LYS A 163 6.283 -0.758 -11.659 1.00 13.55 N ATOM 0 H LYS A 163 6.180 0.205 -7.552 1.00 14.00 H new ATOM 0 HA LYS A 163 8.261 2.138 -7.509 1.00 20.02 H new ATOM 0 HB2 LYS A 163 6.142 1.600 -9.591 1.00 25.20 H new ATOM 0 HB3 LYS A 163 7.311 2.895 -9.751 1.00 25.20 H new ATOM 0 HG2 LYS A 163 8.127 1.093 -11.061 1.00 31.40 H new ATOM 0 HG3 LYS A 163 9.150 1.162 -9.639 1.00 31.40 H new ATOM 0 HD2 LYS A 163 8.606 -1.150 -10.170 1.00 72.23 H new ATOM 0 HD3 LYS A 163 7.903 -0.708 -8.627 1.00 72.23 H new ATOM 0 HE2 LYS A 163 6.292 -1.983 -9.961 1.00 31.41 H new ATOM 0 HE3 LYS A 163 5.708 -0.353 -9.687 1.00 31.41 H new ATOM 0 HZ1 LYS A 163 5.421 -1.253 -11.964 1.00 13.55 H new ATOM 0 HZ2 LYS A 163 6.195 0.255 -11.876 1.00 13.55 H new ATOM 0 HZ3 LYS A 163 7.104 -1.150 -12.163 1.00 13.55 H new ATOM 2290 N GLU A 164 5.115 3.112 -7.243 1.00 10.35 N ATOM 2291 CA GLU A 164 4.209 4.207 -6.901 1.00 21.14 C ATOM 2292 C GLU A 164 4.623 4.914 -5.614 1.00 70.45 C ATOM 2293 O GLU A 164 4.731 6.139 -5.575 1.00 2.24 O ATOM 2294 CB GLU A 164 2.787 3.684 -6.761 1.00 2.15 C ATOM 2295 CG GLU A 164 2.234 3.031 -8.021 1.00 15.43 C ATOM 2296 CD GLU A 164 2.243 3.964 -9.202 1.00 75.22 C ATOM 2297 OE1 GLU A 164 1.318 4.796 -9.321 1.00 43.33 O ATOM 2298 OE2 GLU A 164 3.178 3.874 -10.040 1.00 10.23 O ATOM 0 H GLU A 164 4.647 2.215 -7.374 1.00 10.35 H new ATOM 0 HA GLU A 164 4.259 4.934 -7.712 1.00 21.14 H new ATOM 0 HB2 GLU A 164 2.757 2.960 -5.947 1.00 2.15 H new ATOM 0 HB3 GLU A 164 2.135 4.510 -6.477 1.00 2.15 H new ATOM 0 HG2 GLU A 164 2.824 2.145 -8.257 1.00 15.43 H new ATOM 0 HG3 GLU A 164 1.214 2.695 -7.835 1.00 15.43 H new ATOM 2305 N ILE A 165 4.874 4.142 -4.579 1.00 31.02 N ATOM 2306 CA ILE A 165 5.233 4.693 -3.291 1.00 21.33 C ATOM 2307 C ILE A 165 6.682 5.252 -3.347 1.00 31.14 C ATOM 2308 O ILE A 165 6.959 6.338 -2.830 1.00 31.52 O ATOM 2309 CB ILE A 165 5.014 3.607 -2.143 1.00 24.30 C ATOM 2310 CG1 ILE A 165 5.010 4.198 -0.697 1.00 45.51 C ATOM 2311 CG2 ILE A 165 6.009 2.448 -2.244 1.00 4.13 C ATOM 2312 CD1 ILE A 165 6.325 4.741 -0.191 1.00 64.52 C ATOM 0 H ILE A 165 4.835 3.123 -4.606 1.00 31.02 H new ATOM 0 HA ILE A 165 4.581 5.531 -3.044 1.00 21.33 H new ATOM 0 HB ILE A 165 4.011 3.221 -2.322 1.00 24.30 H new ATOM 0 HG12 ILE A 165 4.271 4.999 -0.657 1.00 45.51 H new ATOM 0 HG13 ILE A 165 4.675 3.420 -0.011 1.00 45.51 H new ATOM 0 HG21 ILE A 165 5.820 1.735 -1.441 1.00 4.13 H new ATOM 0 HG22 ILE A 165 5.891 1.950 -3.207 1.00 4.13 H new ATOM 0 HG23 ILE A 165 7.025 2.832 -2.156 1.00 4.13 H new ATOM 0 HD11 ILE A 165 6.196 5.123 0.822 1.00 64.52 H new ATOM 0 HD12 ILE A 165 7.070 3.945 -0.186 1.00 64.52 H new ATOM 0 HD13 ILE A 165 6.660 5.548 -0.843 1.00 64.52 H new ATOM 2324 N ASP A 166 7.563 4.536 -4.034 1.00 0.34 N ATOM 2325 CA ASP A 166 8.978 4.933 -4.186 1.00 71.32 C ATOM 2326 C ASP A 166 9.110 6.255 -4.918 1.00 31.03 C ATOM 2327 O ASP A 166 9.744 7.200 -4.427 1.00 31.13 O ATOM 2328 CB ASP A 166 9.742 3.849 -4.938 1.00 11.43 C ATOM 2329 CG ASP A 166 11.166 4.219 -5.253 1.00 31.21 C ATOM 2330 OD1 ASP A 166 11.961 4.353 -4.333 1.00 61.32 O ATOM 2331 OD2 ASP A 166 11.501 4.354 -6.453 1.00 14.32 O ATOM 0 H ASP A 166 7.328 3.663 -4.505 1.00 0.34 H new ATOM 0 HA ASP A 166 9.400 5.057 -3.189 1.00 71.32 H new ATOM 0 HB2 ASP A 166 9.736 2.935 -4.344 1.00 11.43 H new ATOM 0 HB3 ASP A 166 9.219 3.628 -5.869 1.00 11.43 H new ATOM 2336 N GLU A 167 8.467 6.341 -6.063 1.00 73.21 N ATOM 2337 CA GLU A 167 8.489 7.535 -6.872 1.00 71.03 C ATOM 2338 C GLU A 167 7.776 8.668 -6.162 1.00 23.33 C ATOM 2339 O GLU A 167 8.111 9.833 -6.342 1.00 41.33 O ATOM 2340 CB GLU A 167 7.904 7.284 -8.259 1.00 23.15 C ATOM 2341 CG GLU A 167 8.646 6.211 -9.047 1.00 34.43 C ATOM 2342 CD GLU A 167 8.104 6.019 -10.436 1.00 63.24 C ATOM 2343 OE1 GLU A 167 7.106 5.291 -10.616 1.00 10.12 O ATOM 2344 OE2 GLU A 167 8.662 6.594 -11.378 1.00 54.25 O ATOM 0 H GLU A 167 7.913 5.581 -6.458 1.00 73.21 H new ATOM 0 HA GLU A 167 9.529 7.828 -7.016 1.00 71.03 H new ATOM 0 HB2 GLU A 167 6.859 6.991 -8.156 1.00 23.15 H new ATOM 0 HB3 GLU A 167 7.920 8.215 -8.825 1.00 23.15 H new ATOM 0 HG2 GLU A 167 9.701 6.478 -9.109 1.00 34.43 H new ATOM 0 HG3 GLU A 167 8.588 5.266 -8.507 1.00 34.43 H new ATOM 2351 N HIS A 168 6.780 8.320 -5.355 1.00 13.50 N ATOM 2352 CA HIS A 168 6.076 9.302 -4.542 1.00 33.13 C ATOM 2353 C HIS A 168 7.046 9.923 -3.550 1.00 22.40 C ATOM 2354 O HIS A 168 7.024 11.119 -3.329 1.00 62.33 O ATOM 2355 CB HIS A 168 4.879 8.666 -3.805 1.00 32.50 C ATOM 2356 CG HIS A 168 4.067 9.620 -2.958 1.00 40.21 C ATOM 2357 ND1 HIS A 168 3.041 10.383 -3.459 1.00 45.15 N ATOM 2358 CD2 HIS A 168 4.121 9.904 -1.631 1.00 53.03 C ATOM 2359 CE1 HIS A 168 2.500 11.088 -2.485 1.00 62.53 C ATOM 2360 NE2 HIS A 168 3.136 10.817 -1.371 1.00 54.30 N ATOM 0 H HIS A 168 6.442 7.364 -5.247 1.00 13.50 H new ATOM 0 HA HIS A 168 5.680 10.078 -5.197 1.00 33.13 H new ATOM 0 HB2 HIS A 168 4.220 8.208 -4.542 1.00 32.50 H new ATOM 0 HB3 HIS A 168 5.250 7.864 -3.167 1.00 32.50 H new ATOM 0 HD2 HIS A 168 4.813 9.487 -0.914 1.00 53.03 H new ATOM 0 HE1 HIS A 168 1.672 11.774 -2.588 1.00 62.53 H new ATOM 0 HE2 HIS A 168 2.930 11.222 -0.458 1.00 54.30 H new ATOM 2369 N LEU A 169 7.909 9.105 -2.970 1.00 53.43 N ATOM 2370 CA LEU A 169 8.890 9.600 -2.021 1.00 61.11 C ATOM 2371 C LEU A 169 9.927 10.447 -2.719 1.00 44.32 C ATOM 2372 O LEU A 169 10.360 11.447 -2.186 1.00 74.31 O ATOM 2373 CB LEU A 169 9.574 8.473 -1.243 1.00 72.54 C ATOM 2374 CG LEU A 169 8.691 7.603 -0.354 1.00 55.14 C ATOM 2375 CD1 LEU A 169 9.527 6.531 0.330 1.00 22.21 C ATOM 2376 CD2 LEU A 169 7.965 8.445 0.681 1.00 63.52 C ATOM 0 H LEU A 169 7.950 8.100 -3.139 1.00 53.43 H new ATOM 0 HA LEU A 169 8.347 10.212 -1.301 1.00 61.11 H new ATOM 0 HB2 LEU A 169 10.075 7.823 -1.960 1.00 72.54 H new ATOM 0 HB3 LEU A 169 10.350 8.916 -0.618 1.00 72.54 H new ATOM 0 HG LEU A 169 7.944 7.120 -0.984 1.00 55.14 H new ATOM 0 HD11 LEU A 169 8.885 5.917 0.962 1.00 22.21 H new ATOM 0 HD12 LEU A 169 10.002 5.903 -0.424 1.00 22.21 H new ATOM 0 HD13 LEU A 169 10.294 7.004 0.943 1.00 22.21 H new ATOM 0 HD21 LEU A 169 7.342 7.801 1.302 1.00 63.52 H new ATOM 0 HD22 LEU A 169 8.694 8.959 1.308 1.00 63.52 H new ATOM 0 HD23 LEU A 169 7.337 9.180 0.177 1.00 63.52 H new ATOM 2388 N LEU A 170 10.321 10.041 -3.909 1.00 61.11 N ATOM 2389 CA LEU A 170 11.280 10.806 -4.704 1.00 72.10 C ATOM 2390 C LEU A 170 10.698 12.173 -5.059 1.00 5.42 C ATOM 2391 O LEU A 170 11.410 13.180 -5.101 1.00 75.34 O ATOM 2392 CB LEU A 170 11.650 10.040 -5.986 1.00 31.22 C ATOM 2393 CG LEU A 170 12.335 8.678 -5.791 1.00 34.11 C ATOM 2394 CD1 LEU A 170 12.570 8.006 -7.133 1.00 24.45 C ATOM 2395 CD2 LEU A 170 13.654 8.841 -5.049 1.00 22.41 C ATOM 0 H LEU A 170 9.995 9.183 -4.354 1.00 61.11 H new ATOM 0 HA LEU A 170 12.184 10.949 -4.112 1.00 72.10 H new ATOM 0 HB2 LEU A 170 10.741 9.886 -6.567 1.00 31.22 H new ATOM 0 HB3 LEU A 170 12.307 10.671 -6.584 1.00 31.22 H new ATOM 0 HG LEU A 170 11.677 8.048 -5.193 1.00 34.11 H new ATOM 0 HD11 LEU A 170 13.056 7.043 -6.977 1.00 24.45 H new ATOM 0 HD12 LEU A 170 11.615 7.854 -7.636 1.00 24.45 H new ATOM 0 HD13 LEU A 170 13.208 8.639 -7.750 1.00 24.45 H new ATOM 0 HD21 LEU A 170 14.123 7.865 -4.921 1.00 22.41 H new ATOM 0 HD22 LEU A 170 14.316 9.489 -5.622 1.00 22.41 H new ATOM 0 HD23 LEU A 170 13.469 9.285 -4.071 1.00 22.41 H new