USER MOD reduce.3.24.130724 H: found=0, std=0, add=933, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 935 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 NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A1159 ZNZN :(H bumps) USER MOD NoAdj-H: A 86 HIS HE2 : A 86 HIS NE2 : A1159 ZNZN :(H bumps) USER MOD NoAdj-H: A 88 HIS HD1 : A 88 HIS ND1 : A1159 ZNZN :(H bumps) USER MOD Set 1.1: A 60 SER OG : rot 170:sc= 0.265 USER MOD Set 1.2: A 69 GLN : amide:sc= 0.707 K(o=0.21,f=-6.1!) USER MOD Set 1.3: A 90 TYR OH : rot -50:sc= -0.76 USER MOD Set 2.1: A 87 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 75 THR OG1 : rot 12:sc= 1.84 USER MOD Set 3.2: A 89 TYR OH : rot 38:sc= 0.855 USER MOD Single : A 40 SER OG : rot -24:sc= 0.231 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 177:sc= 0.96 (180deg=0.864) USER MOD Single : A 53 ASN : amide:sc= -0.266 X(o=-0.27,f=-0.082) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 169:sc= -0.0461 (180deg=-0.208) USER MOD Single : A 66 ASN : amide:sc= -1.2 K(o=-1.2,f=-6.2!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 TYR OH : rot -32:sc=0.000268 USER MOD Single : A 81 THR OG1 : rot -105:sc= 0.018 USER MOD Single : A 82 SER OG : rot 63:sc= 0.371 USER MOD Single : A 91 ASN : amide:sc= -1.53! X(o=-1.5!,f=-1) USER MOD Single : A 93 LYS NZ :NH3+ 171:sc= 0.326 (180deg=0.308) USER MOD Single : A 96 TYR OH : rot 116:sc= 0.167 USER MOD Single : A 101 SER OG : rot 30:sc= 0.0951 USER MOD Single : A 106 MET CE :methyl -138:sc= -1.76 (180deg=-3.84!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -0.0211 X(o=-0.021,f=-0.063) USER MOD Single : A 111 TYR OH : rot 2:sc= -0.485 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 120 ASN :FLIP amide:sc= -0.584 F(o=-1.2,f=-0.58) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 TYR OH : rot -110:sc= 1.28 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 LYS NZ :NH3+ -166:sc= 2.05 (180deg=1.07) USER MOD Single : A 134 TYR OH : rot 180:sc= -3.33! USER MOD Single : A 135 TYR OH : rot 30:sc= -0.219 USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 139 LYS NZ :NH3+ 156:sc= -1.24 (180deg=-2.73!) USER MOD Single : A 143 HIS :FLIP no HD1:sc= -0.0112 F(o=-0.7,f=-0.011) USER MOD Single : A 146 ASN : amide:sc= -1.84 K(o=-1.8,f=-8.1!) USER MOD Single : A 149 THR OG1 : rot 180:sc= 0.127 USER MOD Single : A 150 LYS NZ :NH3+ 178:sc= 0.914 (180deg=0.852) USER MOD Single : A 154 LYS NZ :NH3+ -118:sc= 0.397 (180deg=-0.0722) USER MOD Single : A 156 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 158 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 40 -6.980 -15.352 14.398 1.00 13.12 N ATOM 2 CA SER A 40 -7.456 -15.967 15.652 1.00 12.82 C ATOM 3 C SER A 40 -8.462 -15.054 16.337 1.00 12.18 C ATOM 4 O SER A 40 -8.154 -13.900 16.637 1.00 11.93 O ATOM 5 CB SER A 40 -6.269 -16.250 16.577 1.00 13.03 C ATOM 6 OG SER A 40 -5.411 -15.123 16.670 1.00 13.46 O ATOM 0 HA SER A 40 -7.951 -16.910 15.420 1.00 12.82 H new ATOM 0 HB2 SER A 40 -6.633 -16.516 17.569 1.00 13.03 H new ATOM 0 HB3 SER A 40 -5.709 -17.107 16.203 1.00 13.03 H new ATOM 0 HG SER A 40 -5.523 -14.560 15.876 1.00 13.46 H new ATOM 13 N TYR A 41 -9.664 -15.582 16.562 1.00 12.10 N ATOM 14 CA TYR A 41 -10.756 -14.848 17.198 1.00 11.74 C ATOM 15 C TYR A 41 -11.285 -13.747 16.284 1.00 11.26 C ATOM 16 O TYR A 41 -10.547 -12.868 15.836 1.00 11.61 O ATOM 17 CB TYR A 41 -10.323 -14.274 18.551 1.00 12.43 C ATOM 18 CG TYR A 41 -9.847 -15.332 19.516 1.00 13.20 C ATOM 19 CD1 TYR A 41 -10.754 -16.152 20.168 1.00 13.72 C ATOM 20 CD2 TYR A 41 -8.496 -15.503 19.787 1.00 13.55 C ATOM 21 CE1 TYR A 41 -10.334 -17.114 21.062 1.00 14.56 C ATOM 22 CE2 TYR A 41 -8.065 -16.464 20.678 1.00 14.41 C ATOM 23 CZ TYR A 41 -8.955 -17.292 21.271 1.00 14.90 C ATOM 24 OH TYR A 41 -8.564 -18.223 22.207 1.00 15.87 O ATOM 0 H TYR A 41 -9.909 -16.538 16.306 1.00 12.10 H new ATOM 0 HA TYR A 41 -11.567 -15.554 17.378 1.00 11.74 H new ATOM 0 HB2 TYR A 41 -9.525 -13.549 18.393 1.00 12.43 H new ATOM 0 HB3 TYR A 41 -11.160 -13.735 18.995 1.00 12.43 H new ATOM 0 HD1 TYR A 41 -11.810 -16.035 19.972 1.00 13.72 H new ATOM 0 HD2 TYR A 41 -7.771 -14.874 19.292 1.00 13.55 H new ATOM 0 HE1 TYR A 41 -11.052 -17.721 21.593 1.00 14.56 H new ATOM 0 HE2 TYR A 41 -7.013 -16.556 20.903 1.00 14.41 H new ATOM 0 HH TYR A 41 -7.585 -18.249 22.254 1.00 15.87 H new ATOM 34 N ILE A 42 -12.574 -13.822 15.999 1.00 10.66 N ATOM 35 CA ILE A 42 -13.238 -12.857 15.132 1.00 10.40 C ATOM 36 C ILE A 42 -13.390 -11.511 15.834 1.00 10.44 C ATOM 37 O ILE A 42 -13.569 -10.476 15.191 1.00 10.49 O ATOM 38 CB ILE A 42 -14.625 -13.374 14.710 1.00 9.97 C ATOM 39 CG1 ILE A 42 -15.310 -12.408 13.738 1.00 9.82 C ATOM 40 CG2 ILE A 42 -15.491 -13.607 15.944 1.00 10.25 C ATOM 41 CD1 ILE A 42 -14.576 -12.247 12.423 1.00 10.06 C ATOM 0 H ILE A 42 -13.190 -14.550 16.360 1.00 10.66 H new ATOM 0 HA ILE A 42 -12.619 -12.725 14.245 1.00 10.40 H new ATOM 0 HB ILE A 42 -14.493 -14.321 14.188 1.00 9.97 H new ATOM 0 HG12 ILE A 42 -16.321 -12.763 13.539 1.00 9.82 H new ATOM 0 HG13 ILE A 42 -15.403 -11.432 14.214 1.00 9.82 H new ATOM 0 HG21 ILE A 42 -16.471 -13.973 15.637 1.00 10.25 H new ATOM 0 HG22 ILE A 42 -15.014 -14.345 16.589 1.00 10.25 H new ATOM 0 HG23 ILE A 42 -15.608 -12.670 16.489 1.00 10.25 H new ATOM 0 HD11 ILE A 42 -15.119 -11.549 11.786 1.00 10.06 H new ATOM 0 HD12 ILE A 42 -13.574 -11.862 12.611 1.00 10.06 H new ATOM 0 HD13 ILE A 42 -14.506 -13.214 11.925 1.00 10.06 H new ATOM 53 N ASP A 43 -13.339 -11.543 17.162 1.00 10.68 N ATOM 54 CA ASP A 43 -13.386 -10.329 17.963 1.00 11.02 C ATOM 55 C ASP A 43 -12.307 -9.374 17.485 1.00 11.08 C ATOM 56 O ASP A 43 -11.117 -9.697 17.516 1.00 11.69 O ATOM 57 CB ASP A 43 -13.205 -10.671 19.432 1.00 11.24 C ATOM 58 CG ASP A 43 -13.288 -9.452 20.329 1.00 11.95 C ATOM 59 OD1 ASP A 43 -14.412 -9.048 20.694 1.00 12.25 O ATOM 60 OD2 ASP A 43 -12.230 -8.881 20.663 1.00 12.35 O ATOM 0 H ASP A 43 -13.265 -12.402 17.707 1.00 10.68 H new ATOM 0 HA ASP A 43 -14.356 -9.845 17.849 1.00 11.02 H new ATOM 0 HB2 ASP A 43 -13.968 -11.390 19.731 1.00 11.24 H new ATOM 0 HB3 ASP A 43 -12.239 -11.155 19.572 1.00 11.24 H new ATOM 65 N GLY A 44 -12.726 -8.204 17.040 1.00 10.65 N ATOM 66 CA GLY A 44 -11.880 -7.414 16.186 1.00 10.86 C ATOM 67 C GLY A 44 -12.399 -7.503 14.772 1.00 10.53 C ATOM 68 O GLY A 44 -11.674 -7.906 13.872 1.00 10.64 O ATOM 0 H GLY A 44 -13.633 -7.790 17.255 1.00 10.65 H new ATOM 0 HA2 GLY A 44 -11.870 -6.376 16.520 1.00 10.86 H new ATOM 0 HA3 GLY A 44 -10.852 -7.774 16.234 1.00 10.86 H new ATOM 72 N ASP A 45 -13.695 -7.185 14.631 1.00 10.35 N ATOM 73 CA ASP A 45 -14.504 -7.406 13.412 1.00 10.29 C ATOM 74 C ASP A 45 -13.753 -7.191 12.094 1.00 9.54 C ATOM 75 O ASP A 45 -14.081 -7.813 11.082 1.00 9.39 O ATOM 76 CB ASP A 45 -15.739 -6.503 13.446 1.00 10.94 C ATOM 77 CG ASP A 45 -16.647 -6.712 12.251 1.00 11.21 C ATOM 78 OD1 ASP A 45 -17.277 -7.787 12.151 1.00 11.37 O ATOM 79 OD2 ASP A 45 -16.731 -5.808 11.397 1.00 11.45 O ATOM 0 H ASP A 45 -14.230 -6.753 15.384 1.00 10.35 H new ATOM 0 HA ASP A 45 -14.780 -8.460 13.429 1.00 10.29 H new ATOM 0 HB2 ASP A 45 -16.299 -6.694 14.361 1.00 10.94 H new ATOM 0 HB3 ASP A 45 -15.422 -5.461 13.479 1.00 10.94 H new ATOM 84 N GLN A 46 -12.746 -6.331 12.098 1.00 9.30 N ATOM 85 CA GLN A 46 -11.907 -6.127 10.924 1.00 8.82 C ATOM 86 C GLN A 46 -10.990 -7.338 10.679 1.00 7.96 C ATOM 87 O GLN A 46 -9.951 -7.227 10.028 1.00 7.83 O ATOM 88 CB GLN A 46 -11.084 -4.852 11.097 1.00 9.37 C ATOM 89 CG GLN A 46 -11.937 -3.625 11.342 1.00 9.97 C ATOM 90 CD GLN A 46 -11.126 -2.352 11.448 1.00 10.63 C ATOM 91 OE1 GLN A 46 -10.682 -1.975 12.532 1.00 11.07 O ATOM 92 NE2 GLN A 46 -10.951 -1.667 10.332 1.00 10.92 N ATOM 0 H GLN A 46 -12.488 -5.761 12.903 1.00 9.30 H new ATOM 0 HA GLN A 46 -12.550 -6.021 10.050 1.00 8.82 H new ATOM 0 HB2 GLN A 46 -10.395 -4.981 11.932 1.00 9.37 H new ATOM 0 HB3 GLN A 46 -10.478 -4.694 10.205 1.00 9.37 H new ATOM 0 HG2 GLN A 46 -12.658 -3.523 10.531 1.00 9.97 H new ATOM 0 HG3 GLN A 46 -12.507 -3.763 12.261 1.00 9.97 H new ATOM 0 HE21 GLN A 46 -11.336 -2.015 9.454 1.00 10.92 H new ATOM 0 HE22 GLN A 46 -10.431 -0.790 10.348 1.00 10.92 H new ATOM 101 N ALA A 47 -11.386 -8.492 11.216 1.00 7.63 N ATOM 102 CA ALA A 47 -10.688 -9.750 10.992 1.00 7.10 C ATOM 103 C ALA A 47 -11.236 -10.439 9.752 1.00 6.23 C ATOM 104 O ALA A 47 -10.711 -11.462 9.303 1.00 6.37 O ATOM 105 CB ALA A 47 -10.828 -10.660 12.210 1.00 7.70 C ATOM 0 H ALA A 47 -12.203 -8.577 11.820 1.00 7.63 H new ATOM 0 HA ALA A 47 -9.630 -9.540 10.837 1.00 7.10 H new ATOM 0 HB1 ALA A 47 -10.301 -11.596 12.027 1.00 7.70 H new ATOM 0 HB2 ALA A 47 -10.400 -10.167 13.083 1.00 7.70 H new ATOM 0 HB3 ALA A 47 -11.883 -10.867 12.390 1.00 7.70 H new ATOM 111 N GLY A 48 -12.298 -9.858 9.217 1.00 5.65 N ATOM 112 CA GLY A 48 -12.922 -10.368 8.022 1.00 5.11 C ATOM 113 C GLY A 48 -11.984 -10.316 6.846 1.00 4.06 C ATOM 114 O GLY A 48 -11.401 -9.271 6.546 1.00 4.07 O ATOM 0 H GLY A 48 -12.744 -9.025 9.601 1.00 5.65 H new ATOM 0 HA2 GLY A 48 -13.243 -11.396 8.188 1.00 5.11 H new ATOM 0 HA3 GLY A 48 -13.817 -9.787 7.801 1.00 5.11 H new ATOM 118 N GLN A 49 -11.819 -11.450 6.203 1.00 3.63 N ATOM 119 CA GLN A 49 -10.897 -11.565 5.084 1.00 2.96 C ATOM 120 C GLN A 49 -11.374 -10.772 3.880 1.00 2.13 C ATOM 121 O GLN A 49 -12.551 -10.801 3.516 1.00 2.55 O ATOM 122 CB GLN A 49 -10.700 -13.023 4.680 1.00 3.66 C ATOM 123 CG GLN A 49 -10.082 -13.875 5.770 1.00 4.66 C ATOM 124 CD GLN A 49 -9.717 -15.257 5.279 1.00 5.45 C ATOM 125 OE1 GLN A 49 -10.532 -16.177 5.317 1.00 5.88 O ATOM 126 NE2 GLN A 49 -8.485 -15.414 4.827 1.00 6.04 N ATOM 0 H GLN A 49 -12.312 -12.313 6.434 1.00 3.63 H new ATOM 0 HA GLN A 49 -9.945 -11.153 5.419 1.00 2.96 H new ATOM 0 HB2 GLN A 49 -11.664 -13.448 4.401 1.00 3.66 H new ATOM 0 HB3 GLN A 49 -10.066 -13.064 3.795 1.00 3.66 H new ATOM 0 HG2 GLN A 49 -9.189 -13.380 6.153 1.00 4.66 H new ATOM 0 HG3 GLN A 49 -10.781 -13.960 6.602 1.00 4.66 H new ATOM 0 HE21 GLN A 49 -7.842 -14.622 4.814 1.00 6.04 H new ATOM 0 HE22 GLN A 49 -8.177 -16.327 4.491 1.00 6.04 H new ATOM 135 N LYS A 50 -10.439 -10.070 3.276 1.00 1.67 N ATOM 136 CA LYS A 50 -10.667 -9.342 2.049 1.00 1.23 C ATOM 137 C LYS A 50 -9.435 -9.508 1.173 1.00 1.14 C ATOM 138 O LYS A 50 -8.379 -9.898 1.671 1.00 1.86 O ATOM 139 CB LYS A 50 -10.933 -7.855 2.329 1.00 1.57 C ATOM 140 CG LYS A 50 -12.272 -7.568 2.994 1.00 1.90 C ATOM 141 CD LYS A 50 -13.256 -6.916 2.031 1.00 2.73 C ATOM 142 CE LYS A 50 -13.717 -7.874 0.944 1.00 3.21 C ATOM 143 NZ LYS A 50 -14.480 -7.175 -0.129 1.00 4.04 N ATOM 0 H LYS A 50 -9.486 -9.989 3.630 1.00 1.67 H new ATOM 0 HA LYS A 50 -11.549 -9.736 1.544 1.00 1.23 H new ATOM 0 HB2 LYS A 50 -10.136 -7.470 2.965 1.00 1.57 H new ATOM 0 HB3 LYS A 50 -10.884 -7.307 1.388 1.00 1.57 H new ATOM 0 HG2 LYS A 50 -12.696 -8.498 3.372 1.00 1.90 H new ATOM 0 HG3 LYS A 50 -12.118 -6.915 3.853 1.00 1.90 H new ATOM 0 HD2 LYS A 50 -14.122 -6.557 2.587 1.00 2.73 H new ATOM 0 HD3 LYS A 50 -12.789 -6.045 1.571 1.00 2.73 H new ATOM 0 HE2 LYS A 50 -12.851 -8.371 0.508 1.00 3.21 H new ATOM 0 HE3 LYS A 50 -14.341 -8.651 1.386 1.00 3.21 H new ATOM 0 HZ1 LYS A 50 -14.732 -7.855 -0.875 1.00 4.04 H new ATOM 0 HZ2 LYS A 50 -15.347 -6.765 0.273 1.00 4.04 H new ATOM 0 HZ3 LYS A 50 -13.894 -6.417 -0.534 1.00 4.04 H new ATOM 157 N ALA A 51 -9.581 -9.223 -0.104 1.00 0.80 N ATOM 158 CA ALA A 51 -8.502 -9.338 -1.077 1.00 0.75 C ATOM 159 C ALA A 51 -9.071 -9.072 -2.458 1.00 0.83 C ATOM 160 O ALA A 51 -9.101 -9.956 -3.320 1.00 1.01 O ATOM 161 CB ALA A 51 -7.838 -10.708 -1.035 1.00 0.84 C ATOM 0 H ALA A 51 -10.461 -8.900 -0.506 1.00 0.80 H new ATOM 0 HA ALA A 51 -7.732 -8.606 -0.833 1.00 0.75 H new ATOM 0 HB1 ALA A 51 -7.040 -10.748 -1.777 1.00 0.84 H new ATOM 0 HB2 ALA A 51 -7.420 -10.880 -0.043 1.00 0.84 H new ATOM 0 HB3 ALA A 51 -8.578 -11.478 -1.256 1.00 0.84 H new ATOM 167 N GLU A 52 -9.555 -7.849 -2.626 1.00 0.75 N ATOM 168 CA GLU A 52 -10.256 -7.414 -3.831 1.00 0.86 C ATOM 169 C GLU A 52 -9.520 -7.820 -5.098 1.00 0.97 C ATOM 170 O GLU A 52 -8.299 -7.681 -5.200 1.00 1.04 O ATOM 171 CB GLU A 52 -10.432 -5.892 -3.812 1.00 0.83 C ATOM 172 CG GLU A 52 -10.631 -5.318 -2.420 1.00 0.91 C ATOM 173 CD GLU A 52 -11.779 -5.974 -1.662 1.00 1.63 C ATOM 174 OE1 GLU A 52 -11.562 -7.031 -1.032 1.00 1.98 O ATOM 175 OE2 GLU A 52 -12.904 -5.437 -1.681 1.00 2.04 O ATOM 0 H GLU A 52 -9.471 -7.118 -1.919 1.00 0.75 H new ATOM 0 HA GLU A 52 -11.229 -7.905 -3.836 1.00 0.86 H new ATOM 0 HB2 GLU A 52 -9.556 -5.428 -4.265 1.00 0.83 H new ATOM 0 HB3 GLU A 52 -11.289 -5.626 -4.431 1.00 0.83 H new ATOM 0 HG2 GLU A 52 -9.710 -5.438 -1.849 1.00 0.91 H new ATOM 0 HG3 GLU A 52 -10.820 -4.247 -2.498 1.00 0.91 H new ATOM 182 N ASN A 53 -10.275 -8.325 -6.056 1.00 1.07 N ATOM 183 CA ASN A 53 -9.722 -8.713 -7.341 1.00 1.20 C ATOM 184 C ASN A 53 -9.901 -7.579 -8.342 1.00 1.20 C ATOM 185 O ASN A 53 -9.275 -7.561 -9.401 1.00 1.34 O ATOM 186 CB ASN A 53 -10.387 -9.995 -7.855 1.00 1.31 C ATOM 187 CG ASN A 53 -11.888 -9.857 -8.022 1.00 1.88 C ATOM 188 OD1 ASN A 53 -12.377 -9.468 -9.082 1.00 2.59 O ATOM 189 ND2 ASN A 53 -12.630 -10.183 -6.975 1.00 2.43 N ATOM 0 H ASN A 53 -11.280 -8.477 -5.968 1.00 1.07 H new ATOM 0 HA ASN A 53 -8.658 -8.913 -7.218 1.00 1.20 H new ATOM 0 HB2 ASN A 53 -9.944 -10.269 -8.812 1.00 1.31 H new ATOM 0 HB3 ASN A 53 -10.177 -10.810 -7.162 1.00 1.31 H new ATOM 0 HD21 ASN A 53 -13.646 -10.116 -7.029 1.00 2.43 H new ATOM 0 HD22 ASN A 53 -12.185 -10.501 -6.114 1.00 2.43 H new ATOM 196 N LEU A 54 -10.771 -6.641 -7.995 1.00 1.12 N ATOM 197 CA LEU A 54 -10.980 -5.449 -8.786 1.00 1.15 C ATOM 198 C LEU A 54 -9.874 -4.437 -8.506 1.00 1.13 C ATOM 199 O LEU A 54 -9.240 -4.481 -7.451 1.00 1.13 O ATOM 200 CB LEU A 54 -12.329 -4.859 -8.416 1.00 1.18 C ATOM 201 CG LEU A 54 -13.185 -4.399 -9.581 1.00 1.18 C ATOM 202 CD1 LEU A 54 -13.585 -5.572 -10.455 1.00 1.28 C ATOM 203 CD2 LEU A 54 -14.401 -3.691 -9.044 1.00 1.81 C ATOM 0 H LEU A 54 -11.349 -6.690 -7.156 1.00 1.12 H new ATOM 0 HA LEU A 54 -10.960 -5.697 -9.847 1.00 1.15 H new ATOM 0 HB2 LEU A 54 -12.888 -5.604 -7.849 1.00 1.18 H new ATOM 0 HB3 LEU A 54 -12.165 -4.010 -7.752 1.00 1.18 H new ATOM 0 HG LEU A 54 -12.611 -3.712 -10.202 1.00 1.18 H new ATOM 0 HD11 LEU A 54 -14.198 -5.216 -11.283 1.00 1.28 H new ATOM 0 HD12 LEU A 54 -12.690 -6.055 -10.847 1.00 1.28 H new ATOM 0 HD13 LEU A 54 -14.155 -6.289 -9.864 1.00 1.28 H new ATOM 0 HD21 LEU A 54 -15.023 -3.356 -9.874 1.00 1.81 H new ATOM 0 HD22 LEU A 54 -14.972 -4.374 -8.415 1.00 1.81 H new ATOM 0 HD23 LEU A 54 -14.089 -2.829 -8.454 1.00 1.81 H new ATOM 215 N THR A 55 -9.639 -3.534 -9.445 1.00 1.16 N ATOM 216 CA THR A 55 -8.603 -2.527 -9.285 1.00 1.21 C ATOM 217 C THR A 55 -9.075 -1.401 -8.360 1.00 1.14 C ATOM 218 O THR A 55 -10.274 -1.159 -8.253 1.00 1.09 O ATOM 219 CB THR A 55 -8.181 -1.944 -10.647 1.00 1.31 C ATOM 220 OG1 THR A 55 -9.294 -1.302 -11.280 1.00 1.30 O ATOM 221 CG2 THR A 55 -7.648 -3.034 -11.556 1.00 1.40 C ATOM 0 H THR A 55 -10.151 -3.478 -10.325 1.00 1.16 H new ATOM 0 HA THR A 55 -7.739 -3.014 -8.833 1.00 1.21 H new ATOM 0 HB THR A 55 -7.393 -1.212 -10.470 1.00 1.31 H new ATOM 0 HG1 THR A 55 -9.012 -0.934 -12.144 1.00 1.30 H new ATOM 0 HG21 THR A 55 -7.356 -2.600 -12.512 1.00 1.40 H new ATOM 0 HG22 THR A 55 -6.781 -3.504 -11.091 1.00 1.40 H new ATOM 0 HG23 THR A 55 -8.423 -3.783 -11.719 1.00 1.40 H new ATOM 229 N PRO A 56 -8.140 -0.705 -7.683 1.00 1.18 N ATOM 230 CA PRO A 56 -8.448 0.288 -6.636 1.00 1.10 C ATOM 231 C PRO A 56 -9.556 1.276 -7.013 1.00 1.05 C ATOM 232 O PRO A 56 -10.441 1.560 -6.204 1.00 0.97 O ATOM 233 CB PRO A 56 -7.119 1.036 -6.438 1.00 1.21 C ATOM 234 CG PRO A 56 -6.217 0.556 -7.528 1.00 1.38 C ATOM 235 CD PRO A 56 -6.694 -0.819 -7.882 1.00 1.34 C ATOM 0 HA PRO A 56 -8.826 -0.208 -5.742 1.00 1.10 H new ATOM 0 HB2 PRO A 56 -7.265 2.115 -6.497 1.00 1.21 H new ATOM 0 HB3 PRO A 56 -6.694 0.825 -5.457 1.00 1.21 H new ATOM 0 HG2 PRO A 56 -6.262 1.219 -8.392 1.00 1.38 H new ATOM 0 HG3 PRO A 56 -5.179 0.536 -7.195 1.00 1.38 H new ATOM 0 HD2 PRO A 56 -6.444 -1.085 -8.909 1.00 1.34 H new ATOM 0 HD3 PRO A 56 -6.253 -1.581 -7.239 1.00 1.34 H new ATOM 243 N ASP A 57 -9.527 1.767 -8.247 1.00 1.13 N ATOM 244 CA ASP A 57 -10.471 2.799 -8.682 1.00 1.14 C ATOM 245 C ASP A 57 -11.852 2.192 -8.865 1.00 1.07 C ATOM 246 O ASP A 57 -12.875 2.857 -8.698 1.00 1.05 O ATOM 247 CB ASP A 57 -10.020 3.459 -9.994 1.00 1.30 C ATOM 248 CG ASP A 57 -8.689 4.181 -9.881 1.00 1.61 C ATOM 249 OD1 ASP A 57 -8.655 5.293 -9.307 1.00 1.67 O ATOM 250 OD2 ASP A 57 -7.664 3.636 -10.346 1.00 2.15 O ATOM 0 H ASP A 57 -8.864 1.471 -8.964 1.00 1.13 H new ATOM 0 HA ASP A 57 -10.504 3.568 -7.910 1.00 1.14 H new ATOM 0 HB2 ASP A 57 -9.946 2.696 -10.769 1.00 1.30 H new ATOM 0 HB3 ASP A 57 -10.783 4.168 -10.316 1.00 1.30 H new ATOM 255 N GLU A 58 -11.861 0.915 -9.202 1.00 1.09 N ATOM 256 CA GLU A 58 -13.086 0.155 -9.347 1.00 1.05 C ATOM 257 C GLU A 58 -13.664 -0.170 -7.980 1.00 0.93 C ATOM 258 O GLU A 58 -14.879 -0.240 -7.803 1.00 0.93 O ATOM 259 CB GLU A 58 -12.787 -1.139 -10.094 1.00 1.12 C ATOM 260 CG GLU A 58 -12.384 -0.943 -11.530 1.00 1.26 C ATOM 261 CD GLU A 58 -13.563 -0.702 -12.448 1.00 1.83 C ATOM 262 OE1 GLU A 58 -14.407 0.166 -12.135 1.00 2.17 O ATOM 263 OE2 GLU A 58 -13.655 -1.382 -13.491 1.00 2.54 O ATOM 0 H GLU A 58 -11.015 0.375 -9.383 1.00 1.09 H new ATOM 0 HA GLU A 58 -13.812 0.746 -9.906 1.00 1.05 H new ATOM 0 HB2 GLU A 58 -11.990 -1.670 -9.574 1.00 1.12 H new ATOM 0 HB3 GLU A 58 -13.670 -1.777 -10.060 1.00 1.12 H new ATOM 0 HG2 GLU A 58 -11.700 -0.097 -11.597 1.00 1.26 H new ATOM 0 HG3 GLU A 58 -11.838 -1.823 -11.872 1.00 1.26 H new ATOM 270 N VAL A 59 -12.768 -0.363 -7.023 1.00 0.86 N ATOM 271 CA VAL A 59 -13.141 -0.753 -5.665 1.00 0.75 C ATOM 272 C VAL A 59 -13.895 0.357 -4.948 1.00 0.71 C ATOM 273 O VAL A 59 -15.057 0.198 -4.567 1.00 0.71 O ATOM 274 CB VAL A 59 -11.891 -1.097 -4.831 1.00 0.72 C ATOM 275 CG1 VAL A 59 -12.267 -1.472 -3.406 1.00 0.63 C ATOM 276 CG2 VAL A 59 -11.097 -2.218 -5.480 1.00 0.82 C ATOM 0 H VAL A 59 -11.763 -0.255 -7.162 1.00 0.86 H new ATOM 0 HA VAL A 59 -13.786 -1.627 -5.759 1.00 0.75 H new ATOM 0 HB VAL A 59 -11.264 -0.206 -4.795 1.00 0.72 H new ATOM 0 HG11 VAL A 59 -11.365 -1.709 -2.842 1.00 0.63 H new ATOM 0 HG12 VAL A 59 -12.781 -0.635 -2.933 1.00 0.63 H new ATOM 0 HG13 VAL A 59 -12.925 -2.341 -3.420 1.00 0.63 H new ATOM 0 HG21 VAL A 59 -10.220 -2.442 -4.872 1.00 0.82 H new ATOM 0 HG22 VAL A 59 -11.721 -3.108 -5.558 1.00 0.82 H new ATOM 0 HG23 VAL A 59 -10.779 -1.909 -6.476 1.00 0.82 H new ATOM 286 N SER A 60 -13.213 1.476 -4.774 1.00 0.70 N ATOM 287 CA SER A 60 -13.687 2.573 -3.983 1.00 0.70 C ATOM 288 C SER A 60 -15.065 3.060 -4.405 1.00 0.74 C ATOM 289 O SER A 60 -16.019 3.019 -3.628 1.00 0.72 O ATOM 290 CB SER A 60 -12.686 3.688 -4.142 1.00 0.76 C ATOM 291 OG SER A 60 -11.386 3.273 -3.771 1.00 0.97 O ATOM 0 H SER A 60 -12.297 1.640 -5.192 1.00 0.70 H new ATOM 0 HA SER A 60 -13.786 2.247 -2.948 1.00 0.70 H new ATOM 0 HB2 SER A 60 -12.679 4.027 -5.178 1.00 0.76 H new ATOM 0 HB3 SER A 60 -12.986 4.538 -3.530 1.00 0.76 H new ATOM 0 HG SER A 60 -10.736 3.958 -4.034 1.00 0.97 H new ATOM 297 N LYS A 61 -15.145 3.522 -5.637 1.00 0.87 N ATOM 298 CA LYS A 61 -16.378 4.069 -6.199 1.00 0.96 C ATOM 299 C LYS A 61 -17.566 3.120 -6.042 1.00 0.94 C ATOM 300 O LYS A 61 -18.714 3.559 -5.975 1.00 1.01 O ATOM 301 CB LYS A 61 -16.170 4.407 -7.672 1.00 1.10 C ATOM 302 CG LYS A 61 -15.088 5.451 -7.900 1.00 1.17 C ATOM 303 CD LYS A 61 -14.951 5.814 -9.369 1.00 1.36 C ATOM 304 CE LYS A 61 -16.237 6.402 -9.926 1.00 2.01 C ATOM 305 NZ LYS A 61 -16.669 7.619 -9.185 1.00 2.54 N ATOM 0 H LYS A 61 -14.357 3.532 -6.284 1.00 0.87 H new ATOM 0 HA LYS A 61 -16.615 4.974 -5.640 1.00 0.96 H new ATOM 0 HB2 LYS A 61 -15.908 3.498 -8.213 1.00 1.10 H new ATOM 0 HB3 LYS A 61 -17.109 4.769 -8.091 1.00 1.10 H new ATOM 0 HG2 LYS A 61 -15.321 6.347 -7.325 1.00 1.17 H new ATOM 0 HG3 LYS A 61 -14.135 5.073 -7.529 1.00 1.17 H new ATOM 0 HD2 LYS A 61 -14.140 6.531 -9.492 1.00 1.36 H new ATOM 0 HD3 LYS A 61 -14.680 4.926 -9.940 1.00 1.36 H new ATOM 0 HE2 LYS A 61 -16.094 6.651 -10.978 1.00 2.01 H new ATOM 0 HE3 LYS A 61 -17.027 5.652 -9.880 1.00 2.01 H new ATOM 0 HZ1 LYS A 61 -17.436 8.089 -9.707 1.00 2.54 H new ATOM 0 HZ2 LYS A 61 -17.009 7.348 -8.240 1.00 2.54 H new ATOM 0 HZ3 LYS A 61 -15.865 8.271 -9.090 1.00 2.54 H new ATOM 319 N ARG A 62 -17.296 1.825 -5.989 1.00 0.88 N ATOM 320 CA ARG A 62 -18.344 0.841 -5.793 1.00 0.89 C ATOM 321 C ARG A 62 -18.764 0.748 -4.329 1.00 0.77 C ATOM 322 O ARG A 62 -19.954 0.707 -4.022 1.00 0.82 O ATOM 323 CB ARG A 62 -17.900 -0.529 -6.297 1.00 0.93 C ATOM 324 CG ARG A 62 -18.019 -0.690 -7.795 1.00 1.21 C ATOM 325 CD ARG A 62 -17.551 -2.057 -8.244 1.00 1.21 C ATOM 326 NE ARG A 62 -17.872 -2.317 -9.644 1.00 1.85 N ATOM 327 CZ ARG A 62 -17.189 -1.819 -10.674 1.00 2.40 C ATOM 328 NH1 ARG A 62 -16.169 -0.993 -10.464 1.00 2.53 N ATOM 329 NH2 ARG A 62 -17.534 -2.151 -11.910 1.00 3.33 N ATOM 0 H ARG A 62 -16.359 1.433 -6.079 1.00 0.88 H new ATOM 0 HA ARG A 62 -19.208 1.169 -6.371 1.00 0.89 H new ATOM 0 HB2 ARG A 62 -16.864 -0.697 -6.003 1.00 0.93 H new ATOM 0 HB3 ARG A 62 -18.498 -1.298 -5.809 1.00 0.93 H new ATOM 0 HG2 ARG A 62 -19.056 -0.542 -8.097 1.00 1.21 H new ATOM 0 HG3 ARG A 62 -17.429 0.080 -8.293 1.00 1.21 H new ATOM 0 HD2 ARG A 62 -16.474 -2.136 -8.099 1.00 1.21 H new ATOM 0 HD3 ARG A 62 -18.013 -2.821 -7.619 1.00 1.21 H new ATOM 0 HE ARG A 62 -18.670 -2.919 -9.847 1.00 1.85 H new ATOM 0 HH11 ARG A 62 -15.907 -0.738 -9.512 1.00 2.53 H new ATOM 0 HH12 ARG A 62 -15.649 -0.614 -11.255 1.00 2.53 H new ATOM 0 HH21 ARG A 62 -18.318 -2.784 -12.068 1.00 3.33 H new ATOM 0 HH22 ARG A 62 -17.015 -1.773 -12.703 1.00 3.33 H new ATOM 343 N GLU A 63 -17.795 0.727 -3.423 1.00 0.68 N ATOM 344 CA GLU A 63 -18.100 0.573 -2.007 1.00 0.63 C ATOM 345 C GLU A 63 -18.615 1.875 -1.401 1.00 0.66 C ATOM 346 O GLU A 63 -19.335 1.859 -0.402 1.00 0.73 O ATOM 347 CB GLU A 63 -16.886 0.058 -1.235 1.00 0.59 C ATOM 348 CG GLU A 63 -15.669 0.968 -1.266 1.00 0.58 C ATOM 349 CD GLU A 63 -14.514 0.369 -0.496 1.00 0.65 C ATOM 350 OE1 GLU A 63 -14.424 0.569 0.706 1.00 1.21 O ATOM 351 OE2 GLU A 63 -13.655 -0.281 -1.136 1.00 1.25 O ATOM 0 H GLU A 63 -16.802 0.814 -3.640 1.00 0.68 H new ATOM 0 HA GLU A 63 -18.894 -0.169 -1.924 1.00 0.63 H new ATOM 0 HB2 GLU A 63 -17.176 -0.100 -0.196 1.00 0.59 H new ATOM 0 HB3 GLU A 63 -16.604 -0.914 -1.639 1.00 0.59 H new ATOM 0 HG2 GLU A 63 -15.369 1.142 -2.299 1.00 0.58 H new ATOM 0 HG3 GLU A 63 -15.927 1.938 -0.842 1.00 0.58 H new ATOM 358 N GLY A 64 -18.243 2.995 -2.000 1.00 0.69 N ATOM 359 CA GLY A 64 -18.764 4.272 -1.558 1.00 0.74 C ATOM 360 C GLY A 64 -17.678 5.289 -1.289 1.00 0.72 C ATOM 361 O GLY A 64 -17.732 6.411 -1.797 1.00 0.86 O ATOM 0 H GLY A 64 -17.591 3.044 -2.783 1.00 0.69 H new ATOM 0 HA2 GLY A 64 -19.442 4.664 -2.316 1.00 0.74 H new ATOM 0 HA3 GLY A 64 -19.350 4.125 -0.651 1.00 0.74 H new ATOM 365 N ILE A 65 -16.698 4.909 -0.481 1.00 0.62 N ATOM 366 CA ILE A 65 -15.595 5.804 -0.163 1.00 0.67 C ATOM 367 C ILE A 65 -14.635 5.902 -1.335 1.00 0.81 C ATOM 368 O ILE A 65 -14.167 4.894 -1.853 1.00 1.76 O ATOM 369 CB ILE A 65 -14.819 5.364 1.098 1.00 0.61 C ATOM 370 CG1 ILE A 65 -14.284 3.941 0.961 1.00 0.53 C ATOM 371 CG2 ILE A 65 -15.697 5.474 2.326 1.00 0.89 C ATOM 372 CD1 ILE A 65 -13.459 3.499 2.148 1.00 0.49 C ATOM 0 H ILE A 65 -16.644 3.993 -0.036 1.00 0.62 H new ATOM 0 HA ILE A 65 -16.036 6.780 0.040 1.00 0.67 H new ATOM 0 HB ILE A 65 -13.966 6.034 1.208 1.00 0.61 H new ATOM 0 HG12 ILE A 65 -15.122 3.255 0.833 1.00 0.53 H new ATOM 0 HG13 ILE A 65 -13.676 3.873 0.059 1.00 0.53 H new ATOM 0 HG21 ILE A 65 -15.134 5.160 3.205 1.00 0.89 H new ATOM 0 HG22 ILE A 65 -16.019 6.508 2.452 1.00 0.89 H new ATOM 0 HG23 ILE A 65 -16.571 4.834 2.207 1.00 0.89 H new ATOM 0 HD11 ILE A 65 -13.109 2.479 1.988 1.00 0.49 H new ATOM 0 HD12 ILE A 65 -12.602 4.163 2.263 1.00 0.49 H new ATOM 0 HD13 ILE A 65 -14.070 3.535 3.050 1.00 0.49 H new ATOM 384 N ASN A 66 -14.346 7.121 -1.749 1.00 0.75 N ATOM 385 CA ASN A 66 -13.442 7.347 -2.862 1.00 0.69 C ATOM 386 C ASN A 66 -12.108 7.856 -2.350 1.00 0.61 C ATOM 387 O ASN A 66 -11.340 8.475 -3.087 1.00 0.64 O ATOM 388 CB ASN A 66 -14.042 8.337 -3.862 1.00 0.83 C ATOM 389 CG ASN A 66 -15.235 7.767 -4.604 1.00 1.38 C ATOM 390 OD1 ASN A 66 -15.348 6.557 -4.784 1.00 2.09 O ATOM 391 ND2 ASN A 66 -16.126 8.635 -5.060 1.00 2.10 N ATOM 0 H ASN A 66 -14.724 7.971 -1.331 1.00 0.75 H new ATOM 0 HA ASN A 66 -13.287 6.400 -3.378 1.00 0.69 H new ATOM 0 HB2 ASN A 66 -14.345 9.241 -3.335 1.00 0.83 H new ATOM 0 HB3 ASN A 66 -13.277 8.629 -4.582 1.00 0.83 H new ATOM 0 HD21 ASN A 66 -16.939 8.305 -5.580 1.00 2.10 H new ATOM 0 HD22 ASN A 66 -15.999 9.633 -4.891 1.00 2.10 H new ATOM 398 N ALA A 67 -11.846 7.597 -1.076 1.00 0.54 N ATOM 399 CA ALA A 67 -10.597 8.006 -0.450 1.00 0.49 C ATOM 400 C ALA A 67 -9.423 7.175 -0.965 1.00 0.44 C ATOM 401 O ALA A 67 -9.602 6.057 -1.454 1.00 0.45 O ATOM 402 CB ALA A 67 -10.709 7.889 1.060 1.00 0.47 C ATOM 0 H ALA A 67 -12.486 7.103 -0.454 1.00 0.54 H new ATOM 0 HA ALA A 67 -10.409 9.047 -0.712 1.00 0.49 H new ATOM 0 HB1 ALA A 67 -9.770 8.197 1.519 1.00 0.47 H new ATOM 0 HB2 ALA A 67 -11.515 8.531 1.416 1.00 0.47 H new ATOM 0 HB3 ALA A 67 -10.923 6.855 1.330 1.00 0.47 H new ATOM 408 N GLU A 68 -8.226 7.737 -0.843 1.00 0.44 N ATOM 409 CA GLU A 68 -7.009 7.119 -1.359 1.00 0.42 C ATOM 410 C GLU A 68 -6.662 5.854 -0.586 1.00 0.34 C ATOM 411 O GLU A 68 -6.655 5.853 0.645 1.00 0.35 O ATOM 412 CB GLU A 68 -5.828 8.095 -1.273 1.00 0.50 C ATOM 413 CG GLU A 68 -5.891 9.266 -2.249 1.00 0.78 C ATOM 414 CD GLU A 68 -7.036 10.222 -1.979 1.00 1.79 C ATOM 415 OE1 GLU A 68 -6.887 11.104 -1.107 1.00 2.59 O ATOM 416 OE2 GLU A 68 -8.088 10.098 -2.637 1.00 2.28 O ATOM 0 H GLU A 68 -8.071 8.634 -0.383 1.00 0.44 H new ATOM 0 HA GLU A 68 -7.195 6.859 -2.401 1.00 0.42 H new ATOM 0 HB2 GLU A 68 -5.774 8.489 -0.258 1.00 0.50 H new ATOM 0 HB3 GLU A 68 -4.905 7.543 -1.450 1.00 0.50 H new ATOM 0 HG2 GLU A 68 -4.951 9.816 -2.204 1.00 0.78 H new ATOM 0 HG3 GLU A 68 -5.985 8.878 -3.263 1.00 0.78 H new ATOM 423 N GLN A 69 -6.365 4.786 -1.316 1.00 0.31 N ATOM 424 CA GLN A 69 -5.953 3.531 -0.706 1.00 0.24 C ATOM 425 C GLN A 69 -4.547 3.641 -0.141 1.00 0.21 C ATOM 426 O GLN A 69 -3.571 3.628 -0.886 1.00 0.27 O ATOM 427 CB GLN A 69 -6.013 2.377 -1.710 1.00 0.29 C ATOM 428 CG GLN A 69 -7.390 1.751 -1.842 1.00 0.43 C ATOM 429 CD GLN A 69 -8.271 2.420 -2.878 1.00 0.80 C ATOM 430 OE1 GLN A 69 -8.124 3.603 -3.178 1.00 1.64 O ATOM 431 NE2 GLN A 69 -9.215 1.664 -3.407 1.00 0.76 N ATOM 0 H GLN A 69 -6.402 4.766 -2.335 1.00 0.31 H new ATOM 0 HA GLN A 69 -6.649 3.322 0.106 1.00 0.24 H new ATOM 0 HB2 GLN A 69 -5.694 2.741 -2.687 1.00 0.29 H new ATOM 0 HB3 GLN A 69 -5.302 1.608 -1.408 1.00 0.29 H new ATOM 0 HG2 GLN A 69 -7.277 0.698 -2.101 1.00 0.43 H new ATOM 0 HG3 GLN A 69 -7.890 1.789 -0.874 1.00 0.43 H new ATOM 0 HE21 GLN A 69 -9.301 0.686 -3.129 1.00 0.76 H new ATOM 0 HE22 GLN A 69 -9.858 2.057 -4.094 1.00 0.76 H new ATOM 440 N ILE A 70 -4.456 3.755 1.175 1.00 0.19 N ATOM 441 CA ILE A 70 -3.173 3.877 1.850 1.00 0.17 C ATOM 442 C ILE A 70 -2.696 2.513 2.341 1.00 0.14 C ATOM 443 O ILE A 70 -3.132 2.037 3.385 1.00 0.14 O ATOM 444 CB ILE A 70 -3.279 4.839 3.047 1.00 0.21 C ATOM 445 CG1 ILE A 70 -3.943 6.145 2.604 1.00 0.27 C ATOM 446 CG2 ILE A 70 -1.903 5.109 3.638 1.00 0.21 C ATOM 447 CD1 ILE A 70 -4.252 7.089 3.738 1.00 0.36 C ATOM 0 H ILE A 70 -5.262 3.766 1.801 1.00 0.19 H new ATOM 0 HA ILE A 70 -2.454 4.274 1.134 1.00 0.17 H new ATOM 0 HB ILE A 70 -3.893 4.377 3.820 1.00 0.21 H new ATOM 0 HG12 ILE A 70 -3.290 6.650 1.892 1.00 0.27 H new ATOM 0 HG13 ILE A 70 -4.868 5.910 2.077 1.00 0.27 H new ATOM 0 HG21 ILE A 70 -1.997 5.791 4.483 1.00 0.21 H new ATOM 0 HG22 ILE A 70 -1.462 4.171 3.976 1.00 0.21 H new ATOM 0 HG23 ILE A 70 -1.263 5.558 2.879 1.00 0.21 H new ATOM 0 HD11 ILE A 70 -4.721 7.991 3.343 1.00 0.36 H new ATOM 0 HD12 ILE A 70 -4.931 6.605 4.440 1.00 0.36 H new ATOM 0 HD13 ILE A 70 -3.328 7.355 4.252 1.00 0.36 H new ATOM 459 N VAL A 71 -1.812 1.885 1.581 1.00 0.15 N ATOM 460 CA VAL A 71 -1.299 0.568 1.930 1.00 0.15 C ATOM 461 C VAL A 71 -0.473 0.639 3.213 1.00 0.14 C ATOM 462 O VAL A 71 0.625 1.197 3.231 1.00 0.17 O ATOM 463 CB VAL A 71 -0.439 -0.038 0.791 1.00 0.18 C ATOM 464 CG1 VAL A 71 0.053 -1.426 1.166 1.00 0.19 C ATOM 465 CG2 VAL A 71 -1.209 -0.093 -0.520 1.00 0.20 C ATOM 0 H VAL A 71 -1.433 2.268 0.715 1.00 0.15 H new ATOM 0 HA VAL A 71 -2.160 -0.082 2.086 1.00 0.15 H new ATOM 0 HB VAL A 71 0.422 0.615 0.651 1.00 0.18 H new ATOM 0 HG11 VAL A 71 0.654 -1.831 0.352 1.00 0.19 H new ATOM 0 HG12 VAL A 71 0.660 -1.365 2.070 1.00 0.19 H new ATOM 0 HG13 VAL A 71 -0.801 -2.079 1.346 1.00 0.19 H new ATOM 0 HG21 VAL A 71 -0.576 -0.523 -1.296 1.00 0.20 H new ATOM 0 HG22 VAL A 71 -2.098 -0.710 -0.394 1.00 0.20 H new ATOM 0 HG23 VAL A 71 -1.505 0.915 -0.811 1.00 0.20 H new ATOM 475 N ILE A 72 -1.025 0.092 4.287 1.00 0.14 N ATOM 476 CA ILE A 72 -0.349 0.071 5.578 1.00 0.17 C ATOM 477 C ILE A 72 0.418 -1.229 5.759 1.00 0.22 C ATOM 478 O ILE A 72 1.418 -1.280 6.471 1.00 0.29 O ATOM 479 CB ILE A 72 -1.346 0.228 6.743 1.00 0.18 C ATOM 480 CG1 ILE A 72 -2.504 -0.762 6.584 1.00 0.19 C ATOM 481 CG2 ILE A 72 -1.855 1.658 6.815 1.00 0.19 C ATOM 482 CD1 ILE A 72 -3.472 -0.776 7.744 1.00 0.21 C ATOM 0 H ILE A 72 -1.946 -0.346 4.290 1.00 0.14 H new ATOM 0 HA ILE A 72 0.342 0.914 5.590 1.00 0.17 H new ATOM 0 HB ILE A 72 -0.834 0.006 7.679 1.00 0.18 H new ATOM 0 HG12 ILE A 72 -3.051 -0.521 5.672 1.00 0.19 H new ATOM 0 HG13 ILE A 72 -2.095 -1.764 6.455 1.00 0.19 H new ATOM 0 HG21 ILE A 72 -2.558 1.753 7.643 1.00 0.19 H new ATOM 0 HG22 ILE A 72 -1.016 2.335 6.972 1.00 0.19 H new ATOM 0 HG23 ILE A 72 -2.357 1.913 5.882 1.00 0.19 H new ATOM 0 HD11 ILE A 72 -4.261 -1.503 7.551 1.00 0.21 H new ATOM 0 HD12 ILE A 72 -2.942 -1.049 8.657 1.00 0.21 H new ATOM 0 HD13 ILE A 72 -3.913 0.214 7.862 1.00 0.21 H new ATOM 494 N LYS A 73 -0.062 -2.275 5.107 1.00 0.21 N ATOM 495 CA LYS A 73 0.567 -3.581 5.178 1.00 0.26 C ATOM 496 C LYS A 73 0.644 -4.205 3.795 1.00 0.24 C ATOM 497 O LYS A 73 -0.271 -4.060 2.986 1.00 0.25 O ATOM 498 CB LYS A 73 -0.209 -4.500 6.125 1.00 0.35 C ATOM 499 CG LYS A 73 0.175 -5.971 6.003 1.00 0.41 C ATOM 500 CD LYS A 73 -0.502 -6.827 7.056 1.00 0.59 C ATOM 501 CE LYS A 73 -0.159 -6.370 8.466 1.00 1.22 C ATOM 502 NZ LYS A 73 -0.853 -7.186 9.495 1.00 1.94 N ATOM 0 H LYS A 73 -0.894 -2.242 4.517 1.00 0.21 H new ATOM 0 HA LYS A 73 1.578 -3.455 5.565 1.00 0.26 H new ATOM 0 HB2 LYS A 73 -0.042 -4.174 7.152 1.00 0.35 H new ATOM 0 HB3 LYS A 73 -1.276 -4.394 5.927 1.00 0.35 H new ATOM 0 HG2 LYS A 73 -0.096 -6.335 5.012 1.00 0.41 H new ATOM 0 HG3 LYS A 73 1.256 -6.072 6.095 1.00 0.41 H new ATOM 0 HD2 LYS A 73 -1.582 -6.789 6.915 1.00 0.59 H new ATOM 0 HD3 LYS A 73 -0.200 -7.866 6.928 1.00 0.59 H new ATOM 0 HE2 LYS A 73 0.919 -6.435 8.617 1.00 1.22 H new ATOM 0 HE3 LYS A 73 -0.435 -5.322 8.586 1.00 1.22 H new ATOM 0 HZ1 LYS A 73 -0.594 -6.844 10.442 1.00 1.94 H new ATOM 0 HZ2 LYS A 73 -1.882 -7.104 9.367 1.00 1.94 H new ATOM 0 HZ3 LYS A 73 -0.570 -8.182 9.397 1.00 1.94 H new ATOM 516 N ILE A 74 1.736 -4.899 3.538 1.00 0.28 N ATOM 517 CA ILE A 74 1.934 -5.576 2.269 1.00 0.31 C ATOM 518 C ILE A 74 2.218 -7.052 2.501 1.00 0.38 C ATOM 519 O ILE A 74 2.883 -7.421 3.470 1.00 0.41 O ATOM 520 CB ILE A 74 3.117 -4.998 1.467 1.00 0.35 C ATOM 521 CG1 ILE A 74 3.127 -3.471 1.477 1.00 0.38 C ATOM 522 CG2 ILE A 74 3.060 -5.510 0.036 1.00 0.40 C ATOM 523 CD1 ILE A 74 4.403 -2.888 0.911 1.00 0.44 C ATOM 0 H ILE A 74 2.506 -5.010 4.197 1.00 0.28 H new ATOM 0 HA ILE A 74 1.016 -5.431 1.700 1.00 0.31 H new ATOM 0 HB ILE A 74 4.038 -5.331 1.945 1.00 0.35 H new ATOM 0 HG12 ILE A 74 2.278 -3.103 0.901 1.00 0.38 H new ATOM 0 HG13 ILE A 74 2.995 -3.118 2.500 1.00 0.38 H new ATOM 0 HG21 ILE A 74 3.897 -5.101 -0.530 1.00 0.40 H new ATOM 0 HG22 ILE A 74 3.120 -6.598 0.036 1.00 0.40 H new ATOM 0 HG23 ILE A 74 2.123 -5.198 -0.425 1.00 0.40 H new ATOM 0 HD11 ILE A 74 4.352 -1.800 0.944 1.00 0.44 H new ATOM 0 HD12 ILE A 74 5.253 -3.230 1.502 1.00 0.44 H new ATOM 0 HD13 ILE A 74 4.525 -3.214 -0.122 1.00 0.44 H new ATOM 535 N THR A 75 1.717 -7.886 1.612 1.00 0.45 N ATOM 536 CA THR A 75 1.996 -9.307 1.640 1.00 0.54 C ATOM 537 C THR A 75 2.248 -9.800 0.218 1.00 0.60 C ATOM 538 O THR A 75 2.174 -9.012 -0.726 1.00 0.71 O ATOM 539 CB THR A 75 0.834 -10.094 2.287 1.00 0.69 C ATOM 540 OG1 THR A 75 -0.412 -9.722 1.678 1.00 0.79 O ATOM 541 CG2 THR A 75 0.767 -9.833 3.788 1.00 0.72 C ATOM 0 H THR A 75 1.104 -7.597 0.849 1.00 0.45 H new ATOM 0 HA THR A 75 2.885 -9.477 2.247 1.00 0.54 H new ATOM 0 HB THR A 75 1.015 -11.157 2.127 1.00 0.69 H new ATOM 0 HG1 THR A 75 -0.237 -9.198 0.869 1.00 0.79 H new ATOM 0 HG21 THR A 75 -0.059 -10.399 4.219 1.00 0.72 H new ATOM 0 HG22 THR A 75 1.702 -10.145 4.254 1.00 0.72 H new ATOM 0 HG23 THR A 75 0.610 -8.769 3.966 1.00 0.72 H new ATOM 549 N ASP A 76 2.549 -11.077 0.049 1.00 0.70 N ATOM 550 CA ASP A 76 2.809 -11.609 -1.285 1.00 0.82 C ATOM 551 C ASP A 76 1.517 -11.685 -2.097 1.00 0.90 C ATOM 552 O ASP A 76 1.504 -11.392 -3.296 1.00 1.08 O ATOM 553 CB ASP A 76 3.467 -12.988 -1.199 1.00 1.00 C ATOM 554 CG ASP A 76 3.866 -13.531 -2.560 1.00 1.46 C ATOM 555 OD1 ASP A 76 4.809 -12.987 -3.170 1.00 2.01 O ATOM 556 OD2 ASP A 76 3.222 -14.489 -3.035 1.00 2.15 O ATOM 0 H ASP A 76 2.620 -11.759 0.805 1.00 0.70 H new ATOM 0 HA ASP A 76 3.496 -10.931 -1.792 1.00 0.82 H new ATOM 0 HB2 ASP A 76 4.350 -12.926 -0.564 1.00 1.00 H new ATOM 0 HB3 ASP A 76 2.779 -13.686 -0.721 1.00 1.00 H new ATOM 561 N GLN A 77 0.423 -12.027 -1.420 1.00 0.94 N ATOM 562 CA GLN A 77 -0.868 -12.210 -2.081 1.00 1.14 C ATOM 563 C GLN A 77 -1.535 -10.867 -2.382 1.00 1.11 C ATOM 564 O GLN A 77 -2.349 -10.760 -3.297 1.00 1.49 O ATOM 565 CB GLN A 77 -1.793 -13.074 -1.212 1.00 1.36 C ATOM 566 CG GLN A 77 -3.172 -13.299 -1.819 1.00 1.89 C ATOM 567 CD GLN A 77 -4.053 -14.204 -0.979 1.00 2.52 C ATOM 568 OE1 GLN A 77 -4.774 -13.745 -0.091 1.00 2.98 O ATOM 569 NE2 GLN A 77 -4.023 -15.494 -1.269 1.00 3.19 N ATOM 0 H GLN A 77 0.405 -12.183 -0.412 1.00 0.94 H new ATOM 0 HA GLN A 77 -0.689 -12.718 -3.028 1.00 1.14 H new ATOM 0 HB2 GLN A 77 -1.319 -14.041 -1.042 1.00 1.36 H new ATOM 0 HB3 GLN A 77 -1.908 -12.600 -0.237 1.00 1.36 H new ATOM 0 HG2 GLN A 77 -3.667 -12.336 -1.946 1.00 1.89 H new ATOM 0 HG3 GLN A 77 -3.058 -13.733 -2.812 1.00 1.89 H new ATOM 0 HE21 GLN A 77 -3.413 -15.836 -2.011 1.00 3.19 H new ATOM 0 HE22 GLN A 77 -4.610 -16.147 -0.750 1.00 3.19 H new ATOM 578 N GLY A 78 -1.185 -9.846 -1.615 1.00 0.78 N ATOM 579 CA GLY A 78 -1.770 -8.535 -1.819 1.00 0.78 C ATOM 580 C GLY A 78 -1.347 -7.553 -0.752 1.00 0.72 C ATOM 581 O GLY A 78 -0.313 -7.733 -0.116 1.00 0.99 O ATOM 0 H GLY A 78 -0.507 -9.900 -0.855 1.00 0.78 H new ATOM 0 HA2 GLY A 78 -1.476 -8.155 -2.798 1.00 0.78 H new ATOM 0 HA3 GLY A 78 -2.857 -8.620 -1.823 1.00 0.78 H new ATOM 585 N TYR A 79 -2.143 -6.524 -0.540 1.00 0.43 N ATOM 586 CA TYR A 79 -1.842 -5.532 0.478 1.00 0.36 C ATOM 587 C TYR A 79 -3.082 -5.187 1.266 1.00 0.28 C ATOM 588 O TYR A 79 -4.186 -5.593 0.915 1.00 0.28 O ATOM 589 CB TYR A 79 -1.272 -4.254 -0.132 1.00 0.40 C ATOM 590 CG TYR A 79 -2.125 -3.646 -1.223 1.00 1.14 C ATOM 591 CD1 TYR A 79 -3.385 -3.116 -0.976 1.00 2.36 C ATOM 592 CD2 TYR A 79 -1.652 -3.617 -2.508 1.00 1.23 C ATOM 593 CE1 TYR A 79 -4.140 -2.574 -1.996 1.00 3.09 C ATOM 594 CE2 TYR A 79 -2.396 -3.081 -3.540 1.00 1.86 C ATOM 595 CZ TYR A 79 -3.642 -2.560 -3.278 1.00 2.67 C ATOM 596 OH TYR A 79 -4.392 -2.027 -4.300 1.00 3.47 O ATOM 0 H TYR A 79 -3.004 -6.351 -1.058 1.00 0.43 H new ATOM 0 HA TYR A 79 -1.093 -5.970 1.138 1.00 0.36 H new ATOM 0 HB2 TYR A 79 -1.137 -3.517 0.660 1.00 0.40 H new ATOM 0 HB3 TYR A 79 -0.284 -4.470 -0.538 1.00 0.40 H new ATOM 0 HD1 TYR A 79 -3.780 -3.128 0.029 1.00 2.36 H new ATOM 0 HD2 TYR A 79 -0.674 -4.023 -2.719 1.00 1.23 H new ATOM 0 HE1 TYR A 79 -5.117 -2.163 -1.789 1.00 3.09 H new ATOM 0 HE2 TYR A 79 -2.003 -3.071 -4.546 1.00 1.86 H new ATOM 0 HH TYR A 79 -5.344 -2.175 -4.119 1.00 3.47 H new ATOM 606 N VAL A 80 -2.901 -4.422 2.318 1.00 0.29 N ATOM 607 CA VAL A 80 -4.021 -3.943 3.090 1.00 0.27 C ATOM 608 C VAL A 80 -3.939 -2.434 3.218 1.00 0.21 C ATOM 609 O VAL A 80 -2.951 -1.897 3.722 1.00 0.19 O ATOM 610 CB VAL A 80 -4.072 -4.591 4.489 1.00 0.28 C ATOM 611 CG1 VAL A 80 -5.403 -4.314 5.174 1.00 0.28 C ATOM 612 CG2 VAL A 80 -3.817 -6.087 4.391 1.00 0.40 C ATOM 0 H VAL A 80 -1.988 -4.119 2.658 1.00 0.29 H new ATOM 0 HA VAL A 80 -4.936 -4.221 2.567 1.00 0.27 H new ATOM 0 HB VAL A 80 -3.285 -4.145 5.098 1.00 0.28 H new ATOM 0 HG11 VAL A 80 -5.410 -4.783 6.158 1.00 0.28 H new ATOM 0 HG12 VAL A 80 -5.539 -3.238 5.284 1.00 0.28 H new ATOM 0 HG13 VAL A 80 -6.214 -4.723 4.571 1.00 0.28 H new ATOM 0 HG21 VAL A 80 -3.856 -6.529 5.387 1.00 0.40 H new ATOM 0 HG22 VAL A 80 -4.579 -6.545 3.760 1.00 0.40 H new ATOM 0 HG23 VAL A 80 -2.833 -6.261 3.956 1.00 0.40 H new ATOM 622 N THR A 81 -4.960 -1.754 2.737 1.00 0.22 N ATOM 623 CA THR A 81 -4.965 -0.308 2.720 1.00 0.22 C ATOM 624 C THR A 81 -5.863 0.259 3.807 1.00 0.22 C ATOM 625 O THR A 81 -6.977 -0.217 4.010 1.00 0.35 O ATOM 626 CB THR A 81 -5.453 0.223 1.360 1.00 0.32 C ATOM 627 OG1 THR A 81 -6.721 -0.360 1.033 1.00 0.36 O ATOM 628 CG2 THR A 81 -4.455 -0.089 0.262 1.00 0.40 C ATOM 0 H THR A 81 -5.801 -2.184 2.351 1.00 0.22 H new ATOM 0 HA THR A 81 -3.938 0.012 2.898 1.00 0.22 H new ATOM 0 HB THR A 81 -5.555 1.305 1.438 1.00 0.32 H new ATOM 0 HG1 THR A 81 -6.599 -1.041 0.339 1.00 0.36 H new ATOM 0 HG21 THR A 81 -4.826 0.298 -0.687 1.00 0.40 H new ATOM 0 HG22 THR A 81 -3.499 0.379 0.496 1.00 0.40 H new ATOM 0 HG23 THR A 81 -4.322 -1.168 0.187 1.00 0.40 H new ATOM 636 N SER A 82 -5.378 1.268 4.498 1.00 0.19 N ATOM 637 CA SER A 82 -6.206 2.027 5.404 1.00 0.20 C ATOM 638 C SER A 82 -6.808 3.187 4.629 1.00 0.24 C ATOM 639 O SER A 82 -6.221 4.266 4.545 1.00 0.29 O ATOM 640 CB SER A 82 -5.369 2.535 6.580 1.00 0.25 C ATOM 641 OG SER A 82 -4.303 3.353 6.132 1.00 1.19 O ATOM 0 H SER A 82 -4.409 1.581 4.447 1.00 0.19 H new ATOM 0 HA SER A 82 -7.001 1.402 5.810 1.00 0.20 H new ATOM 0 HB2 SER A 82 -6.002 3.100 7.264 1.00 0.25 H new ATOM 0 HB3 SER A 82 -4.971 1.688 7.140 1.00 0.25 H new ATOM 0 HG SER A 82 -4.665 4.148 5.688 1.00 1.19 H new ATOM 647 N HIS A 83 -7.967 2.962 4.038 1.00 0.24 N ATOM 648 CA HIS A 83 -8.543 3.956 3.161 1.00 0.30 C ATOM 649 C HIS A 83 -9.945 4.329 3.615 1.00 0.29 C ATOM 650 O HIS A 83 -10.631 3.540 4.270 1.00 0.27 O ATOM 651 CB HIS A 83 -8.509 3.477 1.692 1.00 0.33 C ATOM 652 CG HIS A 83 -9.627 2.568 1.278 1.00 0.32 C ATOM 653 ND1 HIS A 83 -10.158 2.535 -0.010 1.00 0.39 N ATOM 654 CD2 HIS A 83 -10.360 1.689 2.006 1.00 0.28 C ATOM 655 CE1 HIS A 83 -11.181 1.665 -0.008 1.00 0.39 C ATOM 656 NE2 HIS A 83 -11.323 1.160 1.183 1.00 0.33 N ATOM 0 H HIS A 83 -8.519 2.111 4.149 1.00 0.24 H new ATOM 0 HA HIS A 83 -7.939 4.862 3.215 1.00 0.30 H new ATOM 0 HB2 HIS A 83 -8.518 4.353 1.043 1.00 0.33 H new ATOM 0 HB3 HIS A 83 -7.564 2.962 1.519 1.00 0.33 H new ATOM 0 HD1 HIS A 83 -9.829 3.075 -0.810 1.00 0.39 H new ATOM 0 HD2 HIS A 83 -10.212 1.448 3.048 1.00 0.28 H new ATOM 0 HE1 HIS A 83 -11.793 1.422 -0.864 1.00 0.39 H new ATOM 664 N GLY A 84 -10.352 5.543 3.288 1.00 0.35 N ATOM 665 CA GLY A 84 -11.649 6.023 3.704 1.00 0.36 C ATOM 666 C GLY A 84 -11.724 6.206 5.200 1.00 0.36 C ATOM 667 O GLY A 84 -11.336 7.244 5.726 1.00 0.42 O ATOM 0 H GLY A 84 -9.805 6.207 2.740 1.00 0.35 H new ATOM 0 HA2 GLY A 84 -11.861 6.971 3.210 1.00 0.36 H new ATOM 0 HA3 GLY A 84 -12.417 5.319 3.385 1.00 0.36 H new ATOM 671 N ASP A 85 -12.227 5.191 5.876 1.00 0.33 N ATOM 672 CA ASP A 85 -12.375 5.219 7.322 1.00 0.36 C ATOM 673 C ASP A 85 -11.880 3.912 7.944 1.00 0.33 C ATOM 674 O ASP A 85 -11.774 3.789 9.163 1.00 0.38 O ATOM 675 CB ASP A 85 -13.852 5.474 7.655 1.00 0.42 C ATOM 676 CG ASP A 85 -14.215 5.223 9.106 1.00 0.89 C ATOM 677 OD1 ASP A 85 -13.680 5.938 9.980 1.00 0.85 O ATOM 678 OD2 ASP A 85 -15.004 4.297 9.383 1.00 1.59 O ATOM 0 H ASP A 85 -12.545 4.325 5.441 1.00 0.33 H new ATOM 0 HA ASP A 85 -11.767 6.020 7.742 1.00 0.36 H new ATOM 0 HB2 ASP A 85 -14.096 6.506 7.405 1.00 0.42 H new ATOM 0 HB3 ASP A 85 -14.471 4.838 7.022 1.00 0.42 H new ATOM 683 N HIS A 86 -11.529 2.949 7.102 1.00 0.29 N ATOM 684 CA HIS A 86 -11.271 1.596 7.578 1.00 0.27 C ATOM 685 C HIS A 86 -10.061 0.962 6.919 1.00 0.23 C ATOM 686 O HIS A 86 -9.349 1.592 6.138 1.00 0.21 O ATOM 687 CB HIS A 86 -12.503 0.717 7.340 1.00 0.29 C ATOM 688 CG HIS A 86 -12.968 0.676 5.910 1.00 0.27 C ATOM 689 ND1 HIS A 86 -14.268 0.964 5.523 1.00 0.30 N ATOM 690 CD2 HIS A 86 -12.298 0.340 4.766 1.00 0.26 C ATOM 691 CE1 HIS A 86 -14.354 0.793 4.195 1.00 0.30 C ATOM 692 NE2 HIS A 86 -13.201 0.412 3.717 1.00 0.28 N ATOM 0 H HIS A 86 -11.417 3.077 6.096 1.00 0.29 H new ATOM 0 HA HIS A 86 -11.058 1.670 8.644 1.00 0.27 H new ATOM 0 HB2 HIS A 86 -12.279 -0.299 7.666 1.00 0.29 H new ATOM 0 HB3 HIS A 86 -13.319 1.079 7.965 1.00 0.29 H new ATOM 0 HD1 HIS A 86 -15.026 1.255 6.140 1.00 0.30 H new ATOM 0 HD2 HIS A 86 -11.255 0.068 4.693 1.00 0.26 H new ATOM 0 HE1 HIS A 86 -15.247 0.948 3.608 1.00 0.30 H new ATOM 700 N TYR A 87 -9.838 -0.295 7.263 1.00 0.24 N ATOM 701 CA TYR A 87 -8.775 -1.075 6.672 1.00 0.22 C ATOM 702 C TYR A 87 -9.379 -2.042 5.672 1.00 0.22 C ATOM 703 O TYR A 87 -10.322 -2.763 5.992 1.00 0.26 O ATOM 704 CB TYR A 87 -8.008 -1.832 7.760 1.00 0.25 C ATOM 705 CG TYR A 87 -7.498 -0.931 8.859 1.00 0.29 C ATOM 706 CD1 TYR A 87 -6.873 0.256 8.544 1.00 0.27 C ATOM 707 CD2 TYR A 87 -7.643 -1.263 10.201 1.00 0.38 C ATOM 708 CE1 TYR A 87 -6.403 1.099 9.518 1.00 0.32 C ATOM 709 CE2 TYR A 87 -7.174 -0.420 11.195 1.00 0.43 C ATOM 710 CZ TYR A 87 -6.553 0.763 10.845 1.00 0.40 C ATOM 711 OH TYR A 87 -6.091 1.618 11.821 1.00 0.46 O ATOM 0 H TYR A 87 -10.389 -0.798 7.958 1.00 0.24 H new ATOM 0 HA TYR A 87 -8.072 -0.417 6.161 1.00 0.22 H new ATOM 0 HB2 TYR A 87 -8.658 -2.592 8.193 1.00 0.25 H new ATOM 0 HB3 TYR A 87 -7.166 -2.355 7.306 1.00 0.25 H new ATOM 0 HD1 TYR A 87 -6.751 0.529 7.506 1.00 0.27 H new ATOM 0 HD2 TYR A 87 -8.127 -2.190 10.472 1.00 0.38 H new ATOM 0 HE1 TYR A 87 -5.917 2.024 9.245 1.00 0.32 H new ATOM 0 HE2 TYR A 87 -7.293 -0.686 12.235 1.00 0.43 H new ATOM 0 HH TYR A 87 -6.275 1.236 12.704 1.00 0.46 H new ATOM 721 N HIS A 88 -8.841 -2.054 4.473 1.00 0.21 N ATOM 722 CA HIS A 88 -9.399 -2.855 3.405 1.00 0.25 C ATOM 723 C HIS A 88 -8.289 -3.660 2.734 1.00 0.26 C ATOM 724 O HIS A 88 -7.284 -3.101 2.295 1.00 0.28 O ATOM 725 CB HIS A 88 -10.117 -1.941 2.400 1.00 0.29 C ATOM 726 CG HIS A 88 -11.288 -2.585 1.721 1.00 0.35 C ATOM 727 ND1 HIS A 88 -12.461 -1.920 1.478 1.00 0.38 N ATOM 728 CD2 HIS A 88 -11.429 -3.850 1.242 1.00 0.43 C ATOM 729 CE1 HIS A 88 -13.281 -2.746 0.884 1.00 0.47 C ATOM 730 NE2 HIS A 88 -12.703 -3.948 0.707 1.00 0.51 N ATOM 0 H HIS A 88 -8.015 -1.516 4.212 1.00 0.21 H new ATOM 0 HA HIS A 88 -10.129 -3.557 3.807 1.00 0.25 H new ATOM 0 HB2 HIS A 88 -10.458 -1.045 2.918 1.00 0.29 H new ATOM 0 HB3 HIS A 88 -9.403 -1.619 1.642 1.00 0.29 H new ATOM 0 HD2 HIS A 88 -10.686 -4.633 1.273 1.00 0.43 H new ATOM 0 HE1 HIS A 88 -14.286 -2.498 0.577 1.00 0.47 H new ATOM 0 HE2 HIS A 88 -13.120 -4.768 0.267 1.00 0.51 H new ATOM 738 N TYR A 89 -8.466 -4.973 2.688 1.00 0.28 N ATOM 739 CA TYR A 89 -7.454 -5.880 2.154 1.00 0.31 C ATOM 740 C TYR A 89 -7.698 -6.104 0.661 1.00 0.36 C ATOM 741 O TYR A 89 -8.818 -6.400 0.251 1.00 0.44 O ATOM 742 CB TYR A 89 -7.537 -7.217 2.902 1.00 0.45 C ATOM 743 CG TYR A 89 -6.263 -8.042 2.927 1.00 0.45 C ATOM 744 CD1 TYR A 89 -5.488 -8.206 1.793 1.00 0.45 C ATOM 745 CD2 TYR A 89 -5.862 -8.689 4.089 1.00 0.59 C ATOM 746 CE1 TYR A 89 -4.350 -8.980 1.805 1.00 0.50 C ATOM 747 CE2 TYR A 89 -4.717 -9.463 4.116 1.00 0.62 C ATOM 748 CZ TYR A 89 -3.962 -9.606 2.970 1.00 0.53 C ATOM 749 OH TYR A 89 -2.820 -10.382 2.989 1.00 0.60 O ATOM 0 H TYR A 89 -9.311 -5.440 3.018 1.00 0.28 H new ATOM 0 HA TYR A 89 -6.463 -5.446 2.288 1.00 0.31 H new ATOM 0 HB2 TYR A 89 -7.838 -7.018 3.930 1.00 0.45 H new ATOM 0 HB3 TYR A 89 -8.326 -7.817 2.449 1.00 0.45 H new ATOM 0 HD1 TYR A 89 -5.783 -7.715 0.877 1.00 0.45 H new ATOM 0 HD2 TYR A 89 -6.455 -8.586 4.986 1.00 0.59 H new ATOM 0 HE1 TYR A 89 -3.764 -9.096 0.906 1.00 0.50 H new ATOM 0 HE2 TYR A 89 -4.415 -9.953 5.030 1.00 0.62 H new ATOM 0 HH TYR A 89 -2.129 -9.961 2.436 1.00 0.60 H new ATOM 759 N TYR A 90 -6.660 -5.948 -0.151 1.00 0.45 N ATOM 760 CA TYR A 90 -6.774 -6.173 -1.589 1.00 0.69 C ATOM 761 C TYR A 90 -5.769 -7.225 -2.028 1.00 0.55 C ATOM 762 O TYR A 90 -4.787 -7.484 -1.338 1.00 0.47 O ATOM 763 CB TYR A 90 -6.508 -4.907 -2.405 1.00 1.04 C ATOM 764 CG TYR A 90 -7.409 -3.716 -2.159 1.00 0.95 C ATOM 765 CD1 TYR A 90 -7.870 -3.460 -0.877 1.00 1.32 C ATOM 766 CD2 TYR A 90 -7.821 -2.873 -3.179 1.00 1.70 C ATOM 767 CE1 TYR A 90 -8.707 -2.397 -0.618 1.00 2.07 C ATOM 768 CE2 TYR A 90 -8.659 -1.808 -2.928 1.00 2.40 C ATOM 769 CZ TYR A 90 -9.021 -1.493 -1.768 1.00 2.47 C ATOM 770 OH TYR A 90 -9.931 -0.520 -1.392 1.00 3.42 O ATOM 0 H TYR A 90 -5.730 -5.667 0.160 1.00 0.45 H new ATOM 0 HA TYR A 90 -7.798 -6.498 -1.771 1.00 0.69 H new ATOM 0 HB2 TYR A 90 -5.480 -4.596 -2.218 1.00 1.04 H new ATOM 0 HB3 TYR A 90 -6.575 -5.167 -3.461 1.00 1.04 H new ATOM 0 HD1 TYR A 90 -7.567 -4.106 -0.066 1.00 1.32 H new ATOM 0 HD2 TYR A 90 -7.480 -3.054 -4.188 1.00 1.70 H new ATOM 0 HE1 TYR A 90 -9.116 -2.225 0.366 1.00 2.07 H new ATOM 0 HE2 TYR A 90 -9.018 -1.222 -3.761 1.00 2.40 H new ATOM 0 HH TYR A 90 -10.694 -0.941 -0.944 1.00 3.42 H new ATOM 780 N ASN A 91 -6.012 -7.820 -3.183 1.00 0.67 N ATOM 781 CA ASN A 91 -5.129 -8.828 -3.719 1.00 0.59 C ATOM 782 C ASN A 91 -4.281 -8.275 -4.851 1.00 0.49 C ATOM 783 O ASN A 91 -4.673 -7.326 -5.537 1.00 0.69 O ATOM 784 CB ASN A 91 -5.952 -10.021 -4.197 1.00 0.85 C ATOM 785 CG ASN A 91 -5.843 -10.308 -5.688 1.00 1.27 C ATOM 786 OD1 ASN A 91 -4.978 -11.069 -6.126 1.00 1.58 O ATOM 787 ND2 ASN A 91 -6.723 -9.709 -6.475 1.00 2.04 N ATOM 0 H ASN A 91 -6.822 -7.616 -3.768 1.00 0.67 H new ATOM 0 HA ASN A 91 -4.449 -9.150 -2.930 1.00 0.59 H new ATOM 0 HB2 ASN A 91 -5.638 -10.907 -3.646 1.00 0.85 H new ATOM 0 HB3 ASN A 91 -6.999 -9.846 -3.949 1.00 0.85 H new ATOM 0 HD21 ASN A 91 -6.700 -9.871 -7.482 1.00 2.04 H new ATOM 0 HD22 ASN A 91 -7.424 -9.086 -6.075 1.00 2.04 H new ATOM 794 N GLY A 92 -3.116 -8.868 -5.025 1.00 0.40 N ATOM 795 CA GLY A 92 -2.266 -8.526 -6.130 1.00 0.41 C ATOM 796 C GLY A 92 -1.144 -7.588 -5.743 1.00 0.33 C ATOM 797 O GLY A 92 -0.825 -7.433 -4.562 1.00 0.47 O ATOM 0 H GLY A 92 -2.743 -9.590 -4.409 1.00 0.40 H new ATOM 0 HA2 GLY A 92 -1.842 -9.438 -6.551 1.00 0.41 H new ATOM 0 HA3 GLY A 92 -2.866 -8.063 -6.913 1.00 0.41 H new ATOM 801 N LYS A 93 -0.537 -6.974 -6.741 1.00 0.40 N ATOM 802 CA LYS A 93 0.536 -6.022 -6.521 1.00 0.35 C ATOM 803 C LYS A 93 -0.023 -4.614 -6.383 1.00 0.35 C ATOM 804 O LYS A 93 -1.111 -4.312 -6.874 1.00 0.47 O ATOM 805 CB LYS A 93 1.528 -6.089 -7.677 1.00 0.36 C ATOM 806 CG LYS A 93 2.296 -7.396 -7.753 1.00 0.39 C ATOM 807 CD LYS A 93 3.316 -7.502 -6.637 1.00 0.63 C ATOM 808 CE LYS A 93 2.696 -7.960 -5.331 1.00 1.42 C ATOM 809 NZ LYS A 93 2.401 -9.419 -5.314 1.00 2.03 N ATOM 0 H LYS A 93 -0.772 -7.120 -7.723 1.00 0.40 H new ATOM 0 HA LYS A 93 1.052 -6.277 -5.595 1.00 0.35 H new ATOM 0 HB2 LYS A 93 0.990 -5.940 -8.613 1.00 0.36 H new ATOM 0 HB3 LYS A 93 2.237 -5.267 -7.582 1.00 0.36 H new ATOM 0 HG2 LYS A 93 1.600 -8.233 -7.693 1.00 0.39 H new ATOM 0 HG3 LYS A 93 2.800 -7.469 -8.717 1.00 0.39 H new ATOM 0 HD2 LYS A 93 4.099 -8.201 -6.929 1.00 0.63 H new ATOM 0 HD3 LYS A 93 3.792 -6.533 -6.490 1.00 0.63 H new ATOM 0 HE2 LYS A 93 3.371 -7.721 -4.510 1.00 1.42 H new ATOM 0 HE3 LYS A 93 1.774 -7.405 -5.157 1.00 1.42 H new ATOM 0 HZ1 LYS A 93 2.123 -9.706 -4.354 1.00 2.03 H new ATOM 0 HZ2 LYS A 93 1.624 -9.624 -5.975 1.00 2.03 H new ATOM 0 HZ3 LYS A 93 3.249 -9.948 -5.602 1.00 2.03 H new ATOM 823 N VAL A 94 0.726 -3.764 -5.697 1.00 0.31 N ATOM 824 CA VAL A 94 0.331 -2.379 -5.483 1.00 0.29 C ATOM 825 C VAL A 94 0.332 -1.624 -6.809 1.00 0.28 C ATOM 826 O VAL A 94 1.299 -1.702 -7.564 1.00 0.30 O ATOM 827 CB VAL A 94 1.295 -1.680 -4.498 1.00 0.29 C ATOM 828 CG1 VAL A 94 0.769 -0.311 -4.104 1.00 0.32 C ATOM 829 CG2 VAL A 94 1.531 -2.537 -3.263 1.00 0.41 C ATOM 0 H VAL A 94 1.621 -4.013 -5.275 1.00 0.31 H new ATOM 0 HA VAL A 94 -0.673 -2.374 -5.059 1.00 0.29 H new ATOM 0 HB VAL A 94 2.250 -1.546 -5.006 1.00 0.29 H new ATOM 0 HG11 VAL A 94 1.465 0.160 -3.410 1.00 0.32 H new ATOM 0 HG12 VAL A 94 0.667 0.310 -4.994 1.00 0.32 H new ATOM 0 HG13 VAL A 94 -0.204 -0.419 -3.624 1.00 0.32 H new ATOM 0 HG21 VAL A 94 2.213 -2.021 -2.587 1.00 0.41 H new ATOM 0 HG22 VAL A 94 0.582 -2.714 -2.756 1.00 0.41 H new ATOM 0 HG23 VAL A 94 1.967 -3.491 -3.560 1.00 0.41 H new ATOM 839 N PRO A 95 -0.752 -0.903 -7.128 1.00 0.27 N ATOM 840 CA PRO A 95 -0.832 -0.138 -8.365 1.00 0.28 C ATOM 841 C PRO A 95 0.078 1.077 -8.339 1.00 0.25 C ATOM 842 O PRO A 95 0.483 1.522 -7.265 1.00 0.27 O ATOM 843 CB PRO A 95 -2.288 0.296 -8.449 1.00 0.33 C ATOM 844 CG PRO A 95 -2.784 0.268 -7.052 1.00 0.33 C ATOM 845 CD PRO A 95 -1.974 -0.771 -6.319 1.00 0.30 C ATOM 0 HA PRO A 95 -0.512 -0.730 -9.222 1.00 0.28 H new ATOM 0 HB2 PRO A 95 -2.377 1.294 -8.878 1.00 0.33 H new ATOM 0 HB3 PRO A 95 -2.863 -0.377 -9.085 1.00 0.33 H new ATOM 0 HG2 PRO A 95 -2.672 1.246 -6.583 1.00 0.33 H new ATOM 0 HG3 PRO A 95 -3.845 0.020 -7.024 1.00 0.33 H new ATOM 0 HD2 PRO A 95 -1.747 -0.455 -5.301 1.00 0.30 H new ATOM 0 HD3 PRO A 95 -2.510 -1.718 -6.247 1.00 0.30 H new ATOM 853 N TYR A 96 0.379 1.616 -9.503 1.00 0.26 N ATOM 854 CA TYR A 96 1.346 2.698 -9.618 1.00 0.27 C ATOM 855 C TYR A 96 0.935 3.884 -8.741 1.00 0.26 C ATOM 856 O TYR A 96 1.753 4.447 -8.010 1.00 0.30 O ATOM 857 CB TYR A 96 1.458 3.136 -11.083 1.00 0.33 C ATOM 858 CG TYR A 96 2.769 3.803 -11.443 1.00 0.38 C ATOM 859 CD1 TYR A 96 3.310 4.807 -10.653 1.00 0.30 C ATOM 860 CD2 TYR A 96 3.462 3.430 -12.588 1.00 0.61 C ATOM 861 CE1 TYR A 96 4.498 5.420 -10.988 1.00 0.35 C ATOM 862 CE2 TYR A 96 4.655 4.037 -12.928 1.00 0.68 C ATOM 863 CZ TYR A 96 5.169 5.032 -12.126 1.00 0.51 C ATOM 864 OH TYR A 96 6.351 5.645 -12.468 1.00 0.59 O ATOM 0 H TYR A 96 -0.032 1.323 -10.389 1.00 0.26 H new ATOM 0 HA TYR A 96 2.317 2.340 -9.275 1.00 0.27 H new ATOM 0 HB2 TYR A 96 1.323 2.263 -11.721 1.00 0.33 H new ATOM 0 HB3 TYR A 96 0.642 3.824 -11.306 1.00 0.33 H new ATOM 0 HD1 TYR A 96 2.790 5.114 -9.758 1.00 0.30 H new ATOM 0 HD2 TYR A 96 3.061 2.653 -13.222 1.00 0.61 H new ATOM 0 HE1 TYR A 96 4.901 6.201 -10.361 1.00 0.35 H new ATOM 0 HE2 TYR A 96 5.183 3.733 -13.820 1.00 0.68 H new ATOM 0 HH TYR A 96 7.079 4.990 -12.439 1.00 0.59 H new ATOM 874 N ASP A 97 -0.345 4.220 -8.775 1.00 0.28 N ATOM 875 CA ASP A 97 -0.826 5.442 -8.138 1.00 0.33 C ATOM 876 C ASP A 97 -1.361 5.195 -6.727 1.00 0.32 C ATOM 877 O ASP A 97 -2.037 6.056 -6.160 1.00 0.38 O ATOM 878 CB ASP A 97 -1.910 6.105 -8.995 1.00 0.43 C ATOM 879 CG ASP A 97 -3.137 5.233 -9.176 1.00 1.07 C ATOM 880 OD1 ASP A 97 -3.109 4.319 -10.025 1.00 1.82 O ATOM 881 OD2 ASP A 97 -4.133 5.444 -8.453 1.00 1.07 O ATOM 0 H ASP A 97 -1.069 3.668 -9.234 1.00 0.28 H new ATOM 0 HA ASP A 97 0.032 6.109 -8.052 1.00 0.33 H new ATOM 0 HB2 ASP A 97 -2.205 7.047 -8.533 1.00 0.43 H new ATOM 0 HB3 ASP A 97 -1.495 6.346 -9.974 1.00 0.43 H new ATOM 886 N ALA A 98 -1.056 4.036 -6.157 1.00 0.27 N ATOM 887 CA ALA A 98 -1.493 3.723 -4.800 1.00 0.27 C ATOM 888 C ALA A 98 -0.727 4.533 -3.766 1.00 0.26 C ATOM 889 O ALA A 98 0.397 4.974 -4.000 1.00 0.40 O ATOM 890 CB ALA A 98 -1.337 2.246 -4.505 1.00 0.30 C ATOM 0 H ALA A 98 -0.512 3.301 -6.608 1.00 0.27 H new ATOM 0 HA ALA A 98 -2.548 3.989 -4.736 1.00 0.27 H new ATOM 0 HB1 ALA A 98 -1.670 2.041 -3.488 1.00 0.30 H new ATOM 0 HB2 ALA A 98 -1.939 1.669 -5.207 1.00 0.30 H new ATOM 0 HB3 ALA A 98 -0.289 1.963 -4.608 1.00 0.30 H new ATOM 896 N ILE A 99 -1.365 4.715 -2.626 1.00 0.18 N ATOM 897 CA ILE A 99 -0.808 5.463 -1.520 1.00 0.17 C ATOM 898 C ILE A 99 -0.250 4.501 -0.474 1.00 0.16 C ATOM 899 O ILE A 99 -0.816 3.434 -0.259 1.00 0.16 O ATOM 900 CB ILE A 99 -1.921 6.328 -0.902 1.00 0.21 C ATOM 901 CG1 ILE A 99 -2.518 7.246 -1.970 1.00 0.21 C ATOM 902 CG2 ILE A 99 -1.424 7.124 0.286 1.00 0.26 C ATOM 903 CD1 ILE A 99 -1.509 8.102 -2.696 1.00 0.29 C ATOM 0 H ILE A 99 -2.296 4.342 -2.441 1.00 0.18 H new ATOM 0 HA ILE A 99 0.002 6.102 -1.872 1.00 0.17 H new ATOM 0 HB ILE A 99 -2.701 5.663 -0.531 1.00 0.21 H new ATOM 0 HG12 ILE A 99 -3.049 6.635 -2.700 1.00 0.21 H new ATOM 0 HG13 ILE A 99 -3.256 7.896 -1.501 1.00 0.21 H new ATOM 0 HG21 ILE A 99 -2.241 7.720 0.692 1.00 0.26 H new ATOM 0 HG22 ILE A 99 -1.057 6.442 1.053 1.00 0.26 H new ATOM 0 HG23 ILE A 99 -0.616 7.783 -0.030 1.00 0.26 H new ATOM 0 HD11 ILE A 99 -2.020 8.720 -3.434 1.00 0.29 H new ATOM 0 HD12 ILE A 99 -0.993 8.743 -1.981 1.00 0.29 H new ATOM 0 HD13 ILE A 99 -0.784 7.462 -3.199 1.00 0.29 H new ATOM 915 N ILE A 100 0.863 4.851 0.155 1.00 0.17 N ATOM 916 CA ILE A 100 1.474 3.980 1.150 1.00 0.18 C ATOM 917 C ILE A 100 1.599 4.678 2.507 1.00 0.18 C ATOM 918 O ILE A 100 1.620 5.907 2.593 1.00 0.20 O ATOM 919 CB ILE A 100 2.876 3.526 0.693 1.00 0.20 C ATOM 920 CG1 ILE A 100 2.824 2.977 -0.735 1.00 0.21 C ATOM 921 CG2 ILE A 100 3.438 2.476 1.643 1.00 0.22 C ATOM 922 CD1 ILE A 100 2.068 1.674 -0.874 1.00 0.23 C ATOM 0 H ILE A 100 1.360 5.728 -0.005 1.00 0.17 H new ATOM 0 HA ILE A 100 0.822 3.113 1.256 1.00 0.18 H new ATOM 0 HB ILE A 100 3.536 4.393 0.708 1.00 0.20 H new ATOM 0 HG12 ILE A 100 2.362 3.723 -1.382 1.00 0.21 H new ATOM 0 HG13 ILE A 100 3.843 2.832 -1.093 1.00 0.21 H new ATOM 0 HG21 ILE A 100 4.427 2.169 1.303 1.00 0.22 H new ATOM 0 HG22 ILE A 100 3.513 2.896 2.646 1.00 0.22 H new ATOM 0 HG23 ILE A 100 2.776 1.610 1.661 1.00 0.22 H new ATOM 0 HD11 ILE A 100 2.080 1.356 -1.917 1.00 0.23 H new ATOM 0 HD12 ILE A 100 2.542 0.911 -0.256 1.00 0.23 H new ATOM 0 HD13 ILE A 100 1.037 1.815 -0.549 1.00 0.23 H new ATOM 934 N SER A 101 1.655 3.871 3.559 1.00 0.20 N ATOM 935 CA SER A 101 1.892 4.346 4.911 1.00 0.20 C ATOM 936 C SER A 101 3.391 4.482 5.177 1.00 0.20 C ATOM 937 O SER A 101 4.198 3.697 4.668 1.00 0.23 O ATOM 938 CB SER A 101 1.295 3.348 5.902 1.00 0.22 C ATOM 939 OG SER A 101 1.613 3.693 7.240 1.00 0.89 O ATOM 0 H SER A 101 1.536 2.860 3.494 1.00 0.20 H new ATOM 0 HA SER A 101 1.424 5.323 5.030 1.00 0.20 H new ATOM 0 HB2 SER A 101 0.212 3.316 5.781 1.00 0.22 H new ATOM 0 HB3 SER A 101 1.670 2.348 5.684 1.00 0.22 H new ATOM 0 HG SER A 101 1.710 4.665 7.313 1.00 0.89 H new ATOM 945 N GLU A 102 3.756 5.472 5.993 1.00 0.20 N ATOM 946 CA GLU A 102 5.129 5.707 6.366 1.00 0.21 C ATOM 947 C GLU A 102 5.684 4.544 7.180 1.00 0.24 C ATOM 948 O GLU A 102 6.898 4.406 7.333 1.00 0.29 O ATOM 949 CB GLU A 102 5.213 7.018 7.144 1.00 0.25 C ATOM 950 CG GLU A 102 4.521 7.016 8.499 1.00 0.31 C ATOM 951 CD GLU A 102 5.370 6.434 9.613 1.00 0.94 C ATOM 952 OE1 GLU A 102 6.609 6.605 9.578 1.00 1.22 O ATOM 953 OE2 GLU A 102 4.804 5.812 10.532 1.00 1.71 O ATOM 0 H GLU A 102 3.096 6.129 6.409 1.00 0.20 H new ATOM 0 HA GLU A 102 5.740 5.784 5.466 1.00 0.21 H new ATOM 0 HB2 GLU A 102 6.264 7.267 7.292 1.00 0.25 H new ATOM 0 HB3 GLU A 102 4.780 7.811 6.535 1.00 0.25 H new ATOM 0 HG2 GLU A 102 4.246 8.038 8.759 1.00 0.31 H new ATOM 0 HG3 GLU A 102 3.595 6.446 8.424 1.00 0.31 H new ATOM 960 N GLU A 103 4.786 3.711 7.695 1.00 0.27 N ATOM 961 CA GLU A 103 5.169 2.517 8.435 1.00 0.34 C ATOM 962 C GLU A 103 6.003 1.591 7.559 1.00 0.31 C ATOM 963 O GLU A 103 6.885 0.882 8.039 1.00 0.41 O ATOM 964 CB GLU A 103 3.922 1.784 8.916 1.00 0.43 C ATOM 965 CG GLU A 103 3.096 2.571 9.910 1.00 0.67 C ATOM 966 CD GLU A 103 1.742 1.943 10.176 1.00 1.15 C ATOM 967 OE1 GLU A 103 0.829 2.108 9.338 1.00 1.42 O ATOM 968 OE2 GLU A 103 1.573 1.301 11.237 1.00 1.48 O ATOM 0 H GLU A 103 3.778 3.844 7.611 1.00 0.27 H new ATOM 0 HA GLU A 103 5.767 2.818 9.295 1.00 0.34 H new ATOM 0 HB2 GLU A 103 3.301 1.539 8.054 1.00 0.43 H new ATOM 0 HB3 GLU A 103 4.220 0.840 9.372 1.00 0.43 H new ATOM 0 HG2 GLU A 103 3.645 2.652 10.848 1.00 0.67 H new ATOM 0 HG3 GLU A 103 2.954 3.585 9.536 1.00 0.67 H new ATOM 975 N LEU A 104 5.733 1.626 6.264 1.00 0.23 N ATOM 976 CA LEU A 104 6.394 0.734 5.326 1.00 0.25 C ATOM 977 C LEU A 104 7.588 1.404 4.653 1.00 0.27 C ATOM 978 O LEU A 104 8.279 0.773 3.861 1.00 0.29 O ATOM 979 CB LEU A 104 5.400 0.255 4.267 1.00 0.27 C ATOM 980 CG LEU A 104 4.235 -0.576 4.799 1.00 0.28 C ATOM 981 CD1 LEU A 104 3.247 -0.884 3.690 1.00 0.33 C ATOM 982 CD2 LEU A 104 4.750 -1.861 5.416 1.00 0.30 C ATOM 0 H LEU A 104 5.060 2.263 5.838 1.00 0.23 H new ATOM 0 HA LEU A 104 6.766 -0.121 5.890 1.00 0.25 H new ATOM 0 HB2 LEU A 104 4.998 1.126 3.749 1.00 0.27 H new ATOM 0 HB3 LEU A 104 5.939 -0.336 3.526 1.00 0.27 H new ATOM 0 HG LEU A 104 3.720 0.002 5.566 1.00 0.28 H new ATOM 0 HD11 LEU A 104 2.424 -1.477 4.090 1.00 0.33 H new ATOM 0 HD12 LEU A 104 2.857 0.048 3.281 1.00 0.33 H new ATOM 0 HD13 LEU A 104 3.749 -1.445 2.901 1.00 0.33 H new ATOM 0 HD21 LEU A 104 3.911 -2.446 5.792 1.00 0.30 H new ATOM 0 HD22 LEU A 104 5.285 -2.438 4.662 1.00 0.30 H new ATOM 0 HD23 LEU A 104 5.425 -1.625 6.238 1.00 0.30 H new ATOM 994 N LEU A 105 7.840 2.671 4.968 1.00 0.43 N ATOM 995 CA LEU A 105 8.936 3.400 4.349 1.00 0.54 C ATOM 996 C LEU A 105 10.275 2.737 4.623 1.00 0.46 C ATOM 997 O LEU A 105 10.583 2.371 5.760 1.00 0.53 O ATOM 998 CB LEU A 105 8.981 4.838 4.845 1.00 0.88 C ATOM 999 CG LEU A 105 7.940 5.773 4.248 1.00 0.30 C ATOM 1000 CD1 LEU A 105 8.081 7.168 4.837 1.00 1.01 C ATOM 1001 CD2 LEU A 105 8.098 5.813 2.741 1.00 1.09 C ATOM 0 H LEU A 105 7.301 3.210 5.646 1.00 0.43 H new ATOM 0 HA LEU A 105 8.754 3.392 3.274 1.00 0.54 H new ATOM 0 HB2 LEU A 105 8.860 4.834 5.928 1.00 0.88 H new ATOM 0 HB3 LEU A 105 9.971 5.245 4.636 1.00 0.88 H new ATOM 0 HG LEU A 105 6.944 5.401 4.490 1.00 0.30 H new ATOM 0 HD11 LEU A 105 7.329 7.825 4.400 1.00 1.01 H new ATOM 0 HD12 LEU A 105 7.940 7.123 5.917 1.00 1.01 H new ATOM 0 HD13 LEU A 105 9.075 7.557 4.617 1.00 1.01 H new ATOM 0 HD21 LEU A 105 7.352 6.483 2.315 1.00 1.09 H new ATOM 0 HD22 LEU A 105 9.095 6.173 2.489 1.00 1.09 H new ATOM 0 HD23 LEU A 105 7.961 4.811 2.334 1.00 1.09 H new ATOM 1013 N MET A 106 11.060 2.591 3.573 1.00 0.41 N ATOM 1014 CA MET A 106 12.399 2.039 3.689 1.00 0.45 C ATOM 1015 C MET A 106 13.389 3.119 4.094 1.00 0.92 C ATOM 1016 O MET A 106 13.631 4.056 3.342 1.00 1.28 O ATOM 1017 CB MET A 106 12.847 1.389 2.371 1.00 0.27 C ATOM 1018 CG MET A 106 14.355 1.141 2.288 1.00 0.30 C ATOM 1019 SD MET A 106 14.958 0.046 3.570 1.00 1.05 S ATOM 1020 CE MET A 106 14.433 -1.494 2.847 1.00 0.50 C ATOM 0 H MET A 106 10.792 2.849 2.623 1.00 0.41 H new ATOM 0 HA MET A 106 12.374 1.271 4.462 1.00 0.45 H new ATOM 0 HB2 MET A 106 12.325 0.440 2.248 1.00 0.27 H new ATOM 0 HB3 MET A 106 12.547 2.028 1.541 1.00 0.27 H new ATOM 0 HG2 MET A 106 14.594 0.716 1.313 1.00 0.30 H new ATOM 0 HG3 MET A 106 14.878 2.095 2.357 1.00 0.30 H new ATOM 0 HE1 MET A 106 14.015 -2.136 3.622 1.00 0.50 H new ATOM 0 HE2 MET A 106 13.675 -1.300 2.088 1.00 0.50 H new ATOM 0 HE3 MET A 106 15.288 -1.990 2.387 1.00 0.50 H new ATOM 1030 N LYS A 107 13.921 3.019 5.299 1.00 1.28 N ATOM 1031 CA LYS A 107 15.094 3.794 5.648 1.00 1.66 C ATOM 1032 C LYS A 107 16.088 2.914 6.382 1.00 1.09 C ATOM 1033 O LYS A 107 15.932 2.616 7.568 1.00 1.52 O ATOM 1034 CB LYS A 107 14.725 5.014 6.502 1.00 2.68 C ATOM 1035 CG LYS A 107 14.013 6.109 5.721 1.00 3.57 C ATOM 1036 CD LYS A 107 13.853 7.381 6.538 1.00 4.57 C ATOM 1037 CE LYS A 107 12.893 7.196 7.701 1.00 5.18 C ATOM 1038 NZ LYS A 107 12.704 8.458 8.463 1.00 5.65 N ATOM 0 H LYS A 107 13.565 2.417 6.042 1.00 1.28 H new ATOM 0 HA LYS A 107 15.548 4.162 4.728 1.00 1.66 H new ATOM 0 HB2 LYS A 107 14.087 4.692 7.325 1.00 2.68 H new ATOM 0 HB3 LYS A 107 15.632 5.426 6.945 1.00 2.68 H new ATOM 0 HG2 LYS A 107 14.574 6.330 4.813 1.00 3.57 H new ATOM 0 HG3 LYS A 107 13.031 5.752 5.410 1.00 3.57 H new ATOM 0 HD2 LYS A 107 14.826 7.692 6.918 1.00 4.57 H new ATOM 0 HD3 LYS A 107 13.491 8.182 5.894 1.00 4.57 H new ATOM 0 HE2 LYS A 107 11.930 6.849 7.326 1.00 5.18 H new ATOM 0 HE3 LYS A 107 13.273 6.422 8.367 1.00 5.18 H new ATOM 0 HZ1 LYS A 107 12.043 8.293 9.249 1.00 5.65 H new ATOM 0 HZ2 LYS A 107 13.619 8.775 8.841 1.00 5.65 H new ATOM 0 HZ3 LYS A 107 12.317 9.189 7.833 1.00 5.65 H new ATOM 1052 N ASP A 108 17.097 2.492 5.646 1.00 1.16 N ATOM 1053 CA ASP A 108 18.209 1.741 6.188 1.00 1.22 C ATOM 1054 C ASP A 108 19.496 2.484 5.857 1.00 1.17 C ATOM 1055 O ASP A 108 19.608 3.065 4.778 1.00 1.12 O ATOM 1056 CB ASP A 108 18.217 0.336 5.586 1.00 1.88 C ATOM 1057 CG ASP A 108 19.207 -0.591 6.257 1.00 2.55 C ATOM 1058 OD1 ASP A 108 20.384 -0.618 5.840 1.00 3.03 O ATOM 1059 OD2 ASP A 108 18.814 -1.297 7.207 1.00 2.80 O ATOM 0 H ASP A 108 17.167 2.664 4.643 1.00 1.16 H new ATOM 0 HA ASP A 108 18.119 1.645 7.270 1.00 1.22 H new ATOM 0 HB2 ASP A 108 17.217 -0.092 5.664 1.00 1.88 H new ATOM 0 HB3 ASP A 108 18.453 0.403 4.524 1.00 1.88 H new ATOM 1064 N PRO A 109 20.477 2.502 6.768 1.00 1.79 N ATOM 1065 CA PRO A 109 21.735 3.209 6.538 1.00 2.23 C ATOM 1066 C PRO A 109 22.618 2.514 5.510 1.00 2.02 C ATOM 1067 O PRO A 109 23.561 3.107 4.986 1.00 2.25 O ATOM 1068 CB PRO A 109 22.404 3.210 7.911 1.00 3.08 C ATOM 1069 CG PRO A 109 21.843 2.019 8.608 1.00 3.14 C ATOM 1070 CD PRO A 109 20.439 1.854 8.092 1.00 2.41 C ATOM 0 HA PRO A 109 21.568 4.207 6.133 1.00 2.23 H new ATOM 0 HB2 PRO A 109 23.488 3.142 7.823 1.00 3.08 H new ATOM 0 HB3 PRO A 109 22.185 4.128 8.457 1.00 3.08 H new ATOM 0 HG2 PRO A 109 22.440 1.131 8.403 1.00 3.14 H new ATOM 0 HG3 PRO A 109 21.846 2.163 9.688 1.00 3.14 H new ATOM 0 HD2 PRO A 109 20.161 0.803 8.016 1.00 2.41 H new ATOM 0 HD3 PRO A 109 19.712 2.329 8.750 1.00 2.41 H new ATOM 1078 N ASN A 110 22.316 1.256 5.231 1.00 1.75 N ATOM 1079 CA ASN A 110 23.067 0.490 4.248 1.00 1.67 C ATOM 1080 C ASN A 110 22.232 0.239 2.999 1.00 1.25 C ATOM 1081 O ASN A 110 22.775 -0.018 1.925 1.00 1.26 O ATOM 1082 CB ASN A 110 23.528 -0.843 4.855 1.00 1.96 C ATOM 1083 CG ASN A 110 24.222 -1.754 3.856 1.00 2.05 C ATOM 1084 OD1 ASN A 110 23.588 -2.580 3.200 1.00 2.18 O ATOM 1085 ND2 ASN A 110 25.534 -1.626 3.744 1.00 2.57 N ATOM 0 H ASN A 110 21.554 0.742 5.673 1.00 1.75 H new ATOM 0 HA ASN A 110 23.943 1.071 3.960 1.00 1.67 H new ATOM 0 HB2 ASN A 110 24.207 -0.641 5.683 1.00 1.96 H new ATOM 0 HB3 ASN A 110 22.664 -1.363 5.270 1.00 1.96 H new ATOM 0 HD21 ASN A 110 26.051 -2.223 3.098 1.00 2.57 H new ATOM 0 HD22 ASN A 110 26.028 -0.931 4.303 1.00 2.57 H new ATOM 1092 N TYR A 111 20.913 0.342 3.121 1.00 0.95 N ATOM 1093 CA TYR A 111 20.050 -0.036 2.011 1.00 0.70 C ATOM 1094 C TYR A 111 19.816 1.110 1.056 1.00 0.60 C ATOM 1095 O TYR A 111 19.483 2.229 1.448 1.00 0.80 O ATOM 1096 CB TYR A 111 18.686 -0.572 2.451 1.00 0.70 C ATOM 1097 CG TYR A 111 17.959 -1.252 1.319 1.00 0.76 C ATOM 1098 CD1 TYR A 111 18.343 -2.514 0.889 1.00 0.94 C ATOM 1099 CD2 TYR A 111 16.909 -0.629 0.664 1.00 0.89 C ATOM 1100 CE1 TYR A 111 17.698 -3.135 -0.159 1.00 1.18 C ATOM 1101 CE2 TYR A 111 16.261 -1.244 -0.386 1.00 1.12 C ATOM 1102 CZ TYR A 111 16.660 -2.496 -0.794 1.00 1.23 C ATOM 1103 OH TYR A 111 16.027 -3.105 -1.849 1.00 1.57 O ATOM 0 H TYR A 111 20.429 0.675 3.955 1.00 0.95 H new ATOM 0 HA TYR A 111 20.594 -0.837 1.510 1.00 0.70 H new ATOM 0 HB2 TYR A 111 18.820 -1.277 3.272 1.00 0.70 H new ATOM 0 HB3 TYR A 111 18.079 0.249 2.832 1.00 0.70 H new ATOM 0 HD1 TYR A 111 19.160 -3.018 1.383 1.00 0.94 H new ATOM 0 HD2 TYR A 111 16.593 0.354 0.981 1.00 0.89 H new ATOM 0 HE1 TYR A 111 18.007 -4.119 -0.480 1.00 1.18 H new ATOM 0 HE2 TYR A 111 15.444 -0.745 -0.886 1.00 1.12 H new ATOM 0 HH TYR A 111 16.416 -3.993 -1.995 1.00 1.57 H new ATOM 1113 N GLN A 112 19.997 0.795 -0.203 1.00 0.53 N ATOM 1114 CA GLN A 112 19.613 1.646 -1.294 1.00 0.55 C ATOM 1115 C GLN A 112 18.737 0.819 -2.209 1.00 0.45 C ATOM 1116 O GLN A 112 18.895 -0.401 -2.265 1.00 0.47 O ATOM 1117 CB GLN A 112 20.859 2.137 -2.006 1.00 0.70 C ATOM 1118 CG GLN A 112 21.756 2.978 -1.118 1.00 1.30 C ATOM 1119 CD GLN A 112 23.108 3.259 -1.734 1.00 1.42 C ATOM 1120 OE1 GLN A 112 23.246 3.351 -2.954 1.00 1.64 O ATOM 1121 NE2 GLN A 112 24.121 3.388 -0.890 1.00 2.05 N ATOM 0 H GLN A 112 20.426 -0.081 -0.501 1.00 0.53 H new ATOM 0 HA GLN A 112 19.064 2.525 -0.955 1.00 0.55 H new ATOM 0 HB2 GLN A 112 21.422 1.279 -2.374 1.00 0.70 H new ATOM 0 HB3 GLN A 112 20.566 2.723 -2.877 1.00 0.70 H new ATOM 0 HG2 GLN A 112 21.259 3.924 -0.901 1.00 1.30 H new ATOM 0 HG3 GLN A 112 21.897 2.466 -0.166 1.00 1.30 H new ATOM 0 HE21 GLN A 112 23.962 3.304 0.114 1.00 2.05 H new ATOM 0 HE22 GLN A 112 25.060 3.571 -1.244 1.00 2.05 H new ATOM 1130 N LEU A 113 17.812 1.471 -2.898 1.00 0.40 N ATOM 1131 CA LEU A 113 16.790 0.782 -3.667 1.00 0.33 C ATOM 1132 C LEU A 113 17.404 -0.255 -4.597 1.00 0.36 C ATOM 1133 O LEU A 113 18.043 0.086 -5.594 1.00 0.43 O ATOM 1134 CB LEU A 113 15.989 1.797 -4.464 1.00 0.32 C ATOM 1135 CG LEU A 113 14.842 1.216 -5.280 1.00 0.30 C ATOM 1136 CD1 LEU A 113 13.753 0.692 -4.364 1.00 0.25 C ATOM 1137 CD2 LEU A 113 14.292 2.255 -6.234 1.00 0.35 C ATOM 0 H LEU A 113 17.750 2.488 -2.939 1.00 0.40 H new ATOM 0 HA LEU A 113 16.130 0.257 -2.977 1.00 0.33 H new ATOM 0 HB2 LEU A 113 15.585 2.540 -3.776 1.00 0.32 H new ATOM 0 HB3 LEU A 113 16.665 2.322 -5.139 1.00 0.32 H new ATOM 0 HG LEU A 113 15.221 0.381 -5.869 1.00 0.30 H new ATOM 0 HD11 LEU A 113 12.941 0.280 -4.963 1.00 0.25 H new ATOM 0 HD12 LEU A 113 14.162 -0.088 -3.722 1.00 0.25 H new ATOM 0 HD13 LEU A 113 13.373 1.507 -3.748 1.00 0.25 H new ATOM 0 HD21 LEU A 113 13.473 1.823 -6.809 1.00 0.35 H new ATOM 0 HD22 LEU A 113 13.926 3.111 -5.668 1.00 0.35 H new ATOM 0 HD23 LEU A 113 15.081 2.580 -6.913 1.00 0.35 H new ATOM 1149 N LYS A 114 17.211 -1.521 -4.256 1.00 0.40 N ATOM 1150 CA LYS A 114 17.836 -2.600 -4.991 1.00 0.47 C ATOM 1151 C LYS A 114 16.843 -3.251 -5.920 1.00 0.37 C ATOM 1152 O LYS A 114 15.765 -3.679 -5.504 1.00 0.33 O ATOM 1153 CB LYS A 114 18.409 -3.641 -4.048 1.00 0.63 C ATOM 1154 CG LYS A 114 19.476 -4.509 -4.675 1.00 0.90 C ATOM 1155 CD LYS A 114 20.658 -3.669 -5.126 1.00 1.14 C ATOM 1156 CE LYS A 114 21.795 -4.523 -5.653 1.00 1.51 C ATOM 1157 NZ LYS A 114 22.955 -3.696 -6.076 1.00 2.09 N ATOM 0 H LYS A 114 16.627 -1.821 -3.476 1.00 0.40 H new ATOM 0 HA LYS A 114 18.650 -2.174 -5.577 1.00 0.47 H new ATOM 0 HB2 LYS A 114 18.829 -3.137 -3.177 1.00 0.63 H new ATOM 0 HB3 LYS A 114 17.600 -4.277 -3.689 1.00 0.63 H new ATOM 0 HG2 LYS A 114 19.810 -5.259 -3.957 1.00 0.90 H new ATOM 0 HG3 LYS A 114 19.060 -5.046 -5.527 1.00 0.90 H new ATOM 0 HD2 LYS A 114 20.335 -2.976 -5.903 1.00 1.14 H new ATOM 0 HD3 LYS A 114 21.014 -3.067 -4.290 1.00 1.14 H new ATOM 0 HE2 LYS A 114 22.111 -5.225 -4.881 1.00 1.51 H new ATOM 0 HE3 LYS A 114 21.444 -5.116 -6.498 1.00 1.51 H new ATOM 0 HZ1 LYS A 114 23.712 -4.315 -6.430 1.00 2.09 H new ATOM 0 HZ2 LYS A 114 22.660 -3.044 -6.830 1.00 2.09 H new ATOM 0 HZ3 LYS A 114 23.306 -3.150 -5.264 1.00 2.09 H new ATOM 1171 N ASP A 115 17.239 -3.354 -7.171 1.00 0.40 N ATOM 1172 CA ASP A 115 16.392 -3.904 -8.220 1.00 0.41 C ATOM 1173 C ASP A 115 16.088 -5.374 -7.961 1.00 0.38 C ATOM 1174 O ASP A 115 15.187 -5.954 -8.569 1.00 0.42 O ATOM 1175 CB ASP A 115 17.069 -3.752 -9.582 1.00 0.53 C ATOM 1176 CG ASP A 115 17.088 -2.315 -10.076 1.00 1.12 C ATOM 1177 OD1 ASP A 115 17.873 -1.501 -9.546 1.00 1.88 O ATOM 1178 OD2 ASP A 115 16.318 -1.993 -11.004 1.00 1.11 O ATOM 0 H ASP A 115 18.160 -3.059 -7.495 1.00 0.40 H new ATOM 0 HA ASP A 115 15.454 -3.349 -8.219 1.00 0.41 H new ATOM 0 HB2 ASP A 115 18.092 -4.122 -9.517 1.00 0.53 H new ATOM 0 HB3 ASP A 115 16.551 -4.375 -10.311 1.00 0.53 H new ATOM 1183 N SER A 116 16.848 -5.968 -7.053 1.00 0.38 N ATOM 1184 CA SER A 116 16.692 -7.372 -6.720 1.00 0.44 C ATOM 1185 C SER A 116 15.603 -7.570 -5.665 1.00 0.40 C ATOM 1186 O SER A 116 14.994 -8.639 -5.586 1.00 0.51 O ATOM 1187 CB SER A 116 18.029 -7.933 -6.227 1.00 0.54 C ATOM 1188 OG SER A 116 17.936 -9.314 -5.906 1.00 0.92 O ATOM 0 H SER A 116 17.584 -5.493 -6.531 1.00 0.38 H new ATOM 0 HA SER A 116 16.385 -7.912 -7.616 1.00 0.44 H new ATOM 0 HB2 SER A 116 18.789 -7.789 -6.995 1.00 0.54 H new ATOM 0 HB3 SER A 116 18.355 -7.377 -5.348 1.00 0.54 H new ATOM 0 HG SER A 116 18.808 -9.637 -5.597 1.00 0.92 H new ATOM 1194 N ASP A 117 15.343 -6.539 -4.865 1.00 0.28 N ATOM 1195 CA ASP A 117 14.346 -6.641 -3.803 1.00 0.28 C ATOM 1196 C ASP A 117 13.022 -6.068 -4.266 1.00 0.22 C ATOM 1197 O ASP A 117 11.963 -6.415 -3.742 1.00 0.24 O ATOM 1198 CB ASP A 117 14.796 -5.911 -2.538 1.00 0.34 C ATOM 1199 CG ASP A 117 16.032 -6.517 -1.912 1.00 1.08 C ATOM 1200 OD1 ASP A 117 15.997 -7.707 -1.533 1.00 1.90 O ATOM 1201 OD2 ASP A 117 17.046 -5.803 -1.799 1.00 1.04 O ATOM 0 H ASP A 117 15.804 -5.631 -4.930 1.00 0.28 H new ATOM 0 HA ASP A 117 14.228 -7.699 -3.569 1.00 0.28 H new ATOM 0 HB2 ASP A 117 14.993 -4.866 -2.779 1.00 0.34 H new ATOM 0 HB3 ASP A 117 13.984 -5.923 -1.811 1.00 0.34 H new ATOM 1206 N ILE A 118 13.101 -5.172 -5.240 1.00 0.23 N ATOM 1207 CA ILE A 118 11.924 -4.547 -5.819 1.00 0.22 C ATOM 1208 C ILE A 118 10.960 -5.589 -6.361 1.00 0.26 C ATOM 1209 O ILE A 118 11.293 -6.343 -7.282 1.00 0.34 O ATOM 1210 CB ILE A 118 12.315 -3.586 -6.958 1.00 0.26 C ATOM 1211 CG1 ILE A 118 13.162 -2.441 -6.408 1.00 0.26 C ATOM 1212 CG2 ILE A 118 11.077 -3.052 -7.664 1.00 0.31 C ATOM 1213 CD1 ILE A 118 13.876 -1.645 -7.477 1.00 0.32 C ATOM 0 H ILE A 118 13.982 -4.860 -5.649 1.00 0.23 H new ATOM 0 HA ILE A 118 11.434 -3.986 -5.023 1.00 0.22 H new ATOM 0 HB ILE A 118 12.906 -4.136 -7.691 1.00 0.26 H new ATOM 0 HG12 ILE A 118 12.522 -1.770 -5.835 1.00 0.26 H new ATOM 0 HG13 ILE A 118 13.900 -2.847 -5.716 1.00 0.26 H new ATOM 0 HG21 ILE A 118 11.378 -2.376 -8.464 1.00 0.31 H new ATOM 0 HG22 ILE A 118 10.511 -3.883 -8.085 1.00 0.31 H new ATOM 0 HG23 ILE A 118 10.454 -2.514 -6.949 1.00 0.31 H new ATOM 0 HD11 ILE A 118 14.457 -0.849 -7.011 1.00 0.32 H new ATOM 0 HD12 ILE A 118 14.543 -2.302 -8.036 1.00 0.32 H new ATOM 0 HD13 ILE A 118 13.143 -1.209 -8.156 1.00 0.32 H new ATOM 1225 N VAL A 119 9.778 -5.637 -5.775 1.00 0.24 N ATOM 1226 CA VAL A 119 8.720 -6.489 -6.277 1.00 0.31 C ATOM 1227 C VAL A 119 7.856 -5.693 -7.241 1.00 0.27 C ATOM 1228 O VAL A 119 7.381 -6.209 -8.254 1.00 0.31 O ATOM 1229 CB VAL A 119 7.823 -7.037 -5.145 1.00 0.36 C ATOM 1230 CG1 VAL A 119 6.790 -7.987 -5.718 1.00 0.47 C ATOM 1231 CG2 VAL A 119 8.649 -7.721 -4.068 1.00 0.38 C ATOM 0 H VAL A 119 9.528 -5.094 -4.949 1.00 0.24 H new ATOM 0 HA VAL A 119 9.189 -7.337 -6.776 1.00 0.31 H new ATOM 0 HB VAL A 119 7.308 -6.198 -4.677 1.00 0.36 H new ATOM 0 HG11 VAL A 119 6.161 -8.369 -4.914 1.00 0.47 H new ATOM 0 HG12 VAL A 119 6.171 -7.458 -6.442 1.00 0.47 H new ATOM 0 HG13 VAL A 119 7.294 -8.818 -6.211 1.00 0.47 H new ATOM 0 HG21 VAL A 119 7.989 -8.096 -3.286 1.00 0.38 H new ATOM 0 HG22 VAL A 119 9.201 -8.553 -4.506 1.00 0.38 H new ATOM 0 HG23 VAL A 119 9.351 -7.006 -3.639 1.00 0.38 H new ATOM 1241 N ASN A 120 7.673 -4.422 -6.919 1.00 0.25 N ATOM 1242 CA ASN A 120 6.813 -3.547 -7.704 1.00 0.24 C ATOM 1243 C ASN A 120 7.282 -2.102 -7.607 1.00 0.23 C ATOM 1244 O ASN A 120 8.059 -1.744 -6.726 1.00 0.26 O ATOM 1245 CB ASN A 120 5.371 -3.678 -7.200 1.00 0.31 C ATOM 1246 CG ASN A 120 4.356 -2.918 -8.027 1.00 0.54 C ATOM 1247 OD1 ASN A 120 4.036 -1.705 -7.608 1.00 1.17 O flip ATOM 1248 ND2 ASN A 120 3.845 -3.428 -9.019 1.00 0.36 N flip ATOM 0 H ASN A 120 8.110 -3.971 -6.116 1.00 0.25 H new ATOM 0 HA ASN A 120 6.860 -3.843 -8.752 1.00 0.24 H new ATOM 0 HB2 ASN A 120 5.096 -4.733 -7.187 1.00 0.31 H new ATOM 0 HB3 ASN A 120 5.324 -3.323 -6.170 1.00 0.31 H new ATOM 0 HD21 ASN A 120 4.120 -4.367 -9.309 1.00 0.36 H new ATOM 0 HD22 ASN A 120 3.145 -2.913 -9.554 1.00 0.36 H new ATOM 1255 N GLU A 121 6.799 -1.280 -8.517 1.00 0.24 N ATOM 1256 CA GLU A 121 7.136 0.133 -8.541 1.00 0.25 C ATOM 1257 C GLU A 121 5.872 0.971 -8.517 1.00 0.25 C ATOM 1258 O GLU A 121 4.915 0.703 -9.248 1.00 0.32 O ATOM 1259 CB GLU A 121 7.975 0.467 -9.778 1.00 0.31 C ATOM 1260 CG GLU A 121 8.036 1.952 -10.116 1.00 0.35 C ATOM 1261 CD GLU A 121 8.622 2.211 -11.489 1.00 0.71 C ATOM 1262 OE1 GLU A 121 9.619 1.551 -11.845 1.00 1.17 O ATOM 1263 OE2 GLU A 121 8.088 3.069 -12.224 1.00 1.24 O ATOM 0 H GLU A 121 6.163 -1.570 -9.260 1.00 0.24 H new ATOM 0 HA GLU A 121 7.727 0.364 -7.655 1.00 0.25 H new ATOM 0 HB2 GLU A 121 8.990 0.100 -9.623 1.00 0.31 H new ATOM 0 HB3 GLU A 121 7.568 -0.071 -10.634 1.00 0.31 H new ATOM 0 HG2 GLU A 121 7.032 2.374 -10.068 1.00 0.35 H new ATOM 0 HG3 GLU A 121 8.635 2.468 -9.366 1.00 0.35 H new ATOM 1270 N ILE A 122 5.868 1.969 -7.657 1.00 0.21 N ATOM 1271 CA ILE A 122 4.746 2.873 -7.533 1.00 0.23 C ATOM 1272 C ILE A 122 5.226 4.299 -7.714 1.00 0.26 C ATOM 1273 O ILE A 122 6.395 4.531 -8.026 1.00 0.25 O ATOM 1274 CB ILE A 122 4.018 2.717 -6.184 1.00 0.26 C ATOM 1275 CG1 ILE A 122 4.991 2.898 -5.022 1.00 0.27 C ATOM 1276 CG2 ILE A 122 3.336 1.359 -6.110 1.00 0.27 C ATOM 1277 CD1 ILE A 122 4.386 2.592 -3.675 1.00 0.31 C ATOM 0 H ILE A 122 6.642 2.175 -7.026 1.00 0.21 H new ATOM 0 HA ILE A 122 4.025 2.624 -8.312 1.00 0.23 H new ATOM 0 HB ILE A 122 3.256 3.492 -6.108 1.00 0.26 H new ATOM 0 HG12 ILE A 122 5.855 2.252 -5.178 1.00 0.27 H new ATOM 0 HG13 ILE A 122 5.357 3.925 -5.022 1.00 0.27 H new ATOM 0 HG21 ILE A 122 2.825 1.260 -5.152 1.00 0.27 H new ATOM 0 HG22 ILE A 122 2.611 1.271 -6.919 1.00 0.27 H new ATOM 0 HG23 ILE A 122 4.083 0.571 -6.206 1.00 0.27 H new ATOM 0 HD11 ILE A 122 5.135 2.742 -2.897 1.00 0.31 H new ATOM 0 HD12 ILE A 122 3.540 3.256 -3.497 1.00 0.31 H new ATOM 0 HD13 ILE A 122 4.046 1.557 -3.656 1.00 0.31 H new ATOM 1289 N LYS A 123 4.334 5.247 -7.557 1.00 0.30 N ATOM 1290 CA LYS A 123 4.669 6.629 -7.806 1.00 0.34 C ATOM 1291 C LYS A 123 5.543 7.179 -6.697 1.00 0.36 C ATOM 1292 O LYS A 123 5.112 7.317 -5.556 1.00 0.42 O ATOM 1293 CB LYS A 123 3.396 7.446 -7.945 1.00 0.39 C ATOM 1294 CG LYS A 123 3.610 8.766 -8.641 1.00 0.48 C ATOM 1295 CD LYS A 123 2.303 9.338 -9.151 1.00 0.75 C ATOM 1296 CE LYS A 123 1.694 8.452 -10.224 1.00 1.35 C ATOM 1297 NZ LYS A 123 0.426 9.011 -10.755 1.00 2.15 N ATOM 0 H LYS A 123 3.372 5.088 -7.258 1.00 0.30 H new ATOM 0 HA LYS A 123 5.234 6.694 -8.736 1.00 0.34 H new ATOM 0 HB2 LYS A 123 2.658 6.866 -8.499 1.00 0.39 H new ATOM 0 HB3 LYS A 123 2.979 7.628 -6.955 1.00 0.39 H new ATOM 0 HG2 LYS A 123 4.074 9.472 -7.952 1.00 0.48 H new ATOM 0 HG3 LYS A 123 4.301 8.633 -9.474 1.00 0.48 H new ATOM 0 HD2 LYS A 123 1.602 9.444 -8.323 1.00 0.75 H new ATOM 0 HD3 LYS A 123 2.473 10.336 -9.554 1.00 0.75 H new ATOM 0 HE2 LYS A 123 2.406 8.330 -11.040 1.00 1.35 H new ATOM 0 HE3 LYS A 123 1.508 7.460 -9.812 1.00 1.35 H new ATOM 0 HZ1 LYS A 123 0.045 8.375 -11.484 1.00 2.15 H new ATOM 0 HZ2 LYS A 123 -0.263 9.104 -9.982 1.00 2.15 H new ATOM 0 HZ3 LYS A 123 0.607 9.947 -11.172 1.00 2.15 H new ATOM 1311 N GLY A 124 6.777 7.478 -7.048 1.00 0.37 N ATOM 1312 CA GLY A 124 7.709 8.057 -6.112 1.00 0.42 C ATOM 1313 C GLY A 124 8.432 7.018 -5.284 1.00 0.38 C ATOM 1314 O GLY A 124 9.619 7.169 -4.988 1.00 0.42 O ATOM 0 H GLY A 124 7.156 7.327 -7.983 1.00 0.37 H new ATOM 0 HA2 GLY A 124 8.441 8.654 -6.657 1.00 0.42 H new ATOM 0 HA3 GLY A 124 7.175 8.736 -5.448 1.00 0.42 H new ATOM 1318 N GLY A 125 7.727 5.963 -4.906 1.00 0.34 N ATOM 1319 CA GLY A 125 8.337 4.908 -4.120 1.00 0.31 C ATOM 1320 C GLY A 125 8.383 3.585 -4.853 1.00 0.25 C ATOM 1321 O GLY A 125 7.820 3.445 -5.934 1.00 0.29 O ATOM 0 H GLY A 125 6.742 5.817 -5.129 1.00 0.34 H new ATOM 0 HA2 GLY A 125 9.350 5.203 -3.848 1.00 0.31 H new ATOM 0 HA3 GLY A 125 7.780 4.785 -3.191 1.00 0.31 H new ATOM 1325 N TYR A 126 9.063 2.616 -4.273 1.00 0.19 N ATOM 1326 CA TYR A 126 9.080 1.270 -4.813 1.00 0.16 C ATOM 1327 C TYR A 126 8.579 0.287 -3.780 1.00 0.16 C ATOM 1328 O TYR A 126 9.012 0.315 -2.627 1.00 0.17 O ATOM 1329 CB TYR A 126 10.487 0.867 -5.252 1.00 0.15 C ATOM 1330 CG TYR A 126 10.817 1.249 -6.673 1.00 0.18 C ATOM 1331 CD1 TYR A 126 10.734 2.559 -7.092 1.00 0.24 C ATOM 1332 CD2 TYR A 126 11.209 0.294 -7.593 1.00 0.21 C ATOM 1333 CE1 TYR A 126 11.035 2.915 -8.388 1.00 0.29 C ATOM 1334 CE2 TYR A 126 11.516 0.637 -8.894 1.00 0.27 C ATOM 1335 CZ TYR A 126 11.428 1.953 -9.284 1.00 0.30 C ATOM 1336 OH TYR A 126 11.735 2.312 -10.575 1.00 0.38 O ATOM 0 H TYR A 126 9.614 2.736 -3.423 1.00 0.19 H new ATOM 0 HA TYR A 126 8.425 1.254 -5.684 1.00 0.16 H new ATOM 0 HB2 TYR A 126 11.212 1.331 -4.584 1.00 0.15 H new ATOM 0 HB3 TYR A 126 10.596 -0.212 -5.141 1.00 0.15 H new ATOM 0 HD1 TYR A 126 10.427 3.321 -6.391 1.00 0.24 H new ATOM 0 HD2 TYR A 126 11.276 -0.740 -7.288 1.00 0.21 H new ATOM 0 HE1 TYR A 126 10.962 3.947 -8.698 1.00 0.29 H new ATOM 0 HE2 TYR A 126 11.823 -0.121 -9.600 1.00 0.27 H new ATOM 0 HH TYR A 126 11.046 1.971 -11.182 1.00 0.38 H new ATOM 1346 N VAL A 127 7.661 -0.568 -4.189 1.00 0.18 N ATOM 1347 CA VAL A 127 7.216 -1.642 -3.331 1.00 0.20 C ATOM 1348 C VAL A 127 8.273 -2.729 -3.359 1.00 0.17 C ATOM 1349 O VAL A 127 8.459 -3.412 -4.371 1.00 0.20 O ATOM 1350 CB VAL A 127 5.863 -2.218 -3.792 1.00 0.29 C ATOM 1351 CG1 VAL A 127 5.328 -3.205 -2.771 1.00 0.55 C ATOM 1352 CG2 VAL A 127 4.863 -1.103 -4.037 1.00 0.60 C ATOM 0 H VAL A 127 7.213 -0.538 -5.105 1.00 0.18 H new ATOM 0 HA VAL A 127 7.075 -1.257 -2.321 1.00 0.20 H new ATOM 0 HB VAL A 127 6.018 -2.749 -4.731 1.00 0.29 H new ATOM 0 HG11 VAL A 127 4.372 -3.601 -3.114 1.00 0.55 H new ATOM 0 HG12 VAL A 127 6.037 -4.024 -2.650 1.00 0.55 H new ATOM 0 HG13 VAL A 127 5.190 -2.700 -1.815 1.00 0.55 H new ATOM 0 HG21 VAL A 127 3.914 -1.530 -4.362 1.00 0.60 H new ATOM 0 HG22 VAL A 127 4.712 -0.541 -3.115 1.00 0.60 H new ATOM 0 HG23 VAL A 127 5.244 -0.436 -4.810 1.00 0.60 H new ATOM 1362 N ILE A 128 8.960 -2.891 -2.254 1.00 0.14 N ATOM 1363 CA ILE A 128 10.131 -3.735 -2.216 1.00 0.12 C ATOM 1364 C ILE A 128 10.018 -4.777 -1.131 1.00 0.13 C ATOM 1365 O ILE A 128 9.368 -4.565 -0.113 1.00 0.16 O ATOM 1366 CB ILE A 128 11.415 -2.905 -1.994 1.00 0.13 C ATOM 1367 CG1 ILE A 128 11.329 -2.090 -0.700 1.00 0.16 C ATOM 1368 CG2 ILE A 128 11.653 -1.985 -3.175 1.00 0.16 C ATOM 1369 CD1 ILE A 128 12.544 -1.224 -0.446 1.00 0.19 C ATOM 0 H ILE A 128 8.728 -2.448 -1.365 1.00 0.14 H new ATOM 0 HA ILE A 128 10.194 -4.233 -3.183 1.00 0.12 H new ATOM 0 HB ILE A 128 12.253 -3.596 -1.904 1.00 0.13 H new ATOM 0 HG12 ILE A 128 10.443 -1.456 -0.738 1.00 0.16 H new ATOM 0 HG13 ILE A 128 11.197 -2.771 0.140 1.00 0.16 H new ATOM 0 HG21 ILE A 128 12.561 -1.405 -3.007 1.00 0.16 H new ATOM 0 HG22 ILE A 128 11.764 -2.579 -4.082 1.00 0.16 H new ATOM 0 HG23 ILE A 128 10.805 -1.309 -3.286 1.00 0.16 H new ATOM 0 HD11 ILE A 128 12.412 -0.676 0.487 1.00 0.19 H new ATOM 0 HD12 ILE A 128 13.431 -1.853 -0.375 1.00 0.19 H new ATOM 0 HD13 ILE A 128 12.665 -0.518 -1.267 1.00 0.19 H new ATOM 1381 N LYS A 129 10.638 -5.908 -1.363 1.00 0.15 N ATOM 1382 CA LYS A 129 10.717 -6.938 -0.354 1.00 0.18 C ATOM 1383 C LYS A 129 12.176 -7.222 -0.059 1.00 0.19 C ATOM 1384 O LYS A 129 12.863 -7.893 -0.831 1.00 0.20 O ATOM 1385 CB LYS A 129 9.992 -8.201 -0.821 1.00 0.22 C ATOM 1386 CG LYS A 129 10.024 -9.339 0.184 1.00 0.28 C ATOM 1387 CD LYS A 129 9.111 -10.474 -0.245 1.00 0.40 C ATOM 1388 CE LYS A 129 9.190 -11.643 0.720 1.00 0.51 C ATOM 1389 NZ LYS A 129 8.201 -12.703 0.392 1.00 0.76 N ATOM 0 H LYS A 129 11.097 -6.140 -2.244 1.00 0.15 H new ATOM 0 HA LYS A 129 10.227 -6.600 0.559 1.00 0.18 H new ATOM 0 HB2 LYS A 129 8.954 -7.952 -1.039 1.00 0.22 H new ATOM 0 HB3 LYS A 129 10.441 -8.541 -1.754 1.00 0.22 H new ATOM 0 HG2 LYS A 129 11.044 -9.708 0.287 1.00 0.28 H new ATOM 0 HG3 LYS A 129 9.717 -8.972 1.163 1.00 0.28 H new ATOM 0 HD2 LYS A 129 8.083 -10.115 -0.301 1.00 0.40 H new ATOM 0 HD3 LYS A 129 9.387 -10.807 -1.246 1.00 0.40 H new ATOM 0 HE2 LYS A 129 10.195 -12.065 0.697 1.00 0.51 H new ATOM 0 HE3 LYS A 129 9.017 -11.287 1.736 1.00 0.51 H new ATOM 0 HZ1 LYS A 129 8.288 -13.483 1.075 1.00 0.76 H new ATOM 0 HZ2 LYS A 129 7.240 -12.308 0.439 1.00 0.76 H new ATOM 0 HZ3 LYS A 129 8.382 -13.061 -0.567 1.00 0.76 H new ATOM 1403 N VAL A 130 12.641 -6.705 1.062 1.00 0.21 N ATOM 1404 CA VAL A 130 14.030 -6.820 1.433 1.00 0.24 C ATOM 1405 C VAL A 130 14.138 -7.543 2.763 1.00 0.29 C ATOM 1406 O VAL A 130 13.340 -7.304 3.677 1.00 0.29 O ATOM 1407 CB VAL A 130 14.725 -5.432 1.495 1.00 0.24 C ATOM 1408 CG1 VAL A 130 13.926 -4.399 0.725 1.00 0.26 C ATOM 1409 CG2 VAL A 130 14.950 -4.947 2.917 1.00 0.26 C ATOM 0 H VAL A 130 12.067 -6.197 1.735 1.00 0.21 H new ATOM 0 HA VAL A 130 14.547 -7.398 0.667 1.00 0.24 H new ATOM 0 HB VAL A 130 15.705 -5.559 1.035 1.00 0.24 H new ATOM 0 HG11 VAL A 130 14.430 -3.434 0.781 1.00 0.26 H new ATOM 0 HG12 VAL A 130 13.844 -4.706 -0.318 1.00 0.26 H new ATOM 0 HG13 VAL A 130 12.929 -4.314 1.158 1.00 0.26 H new ATOM 0 HG21 VAL A 130 15.439 -3.973 2.896 1.00 0.26 H new ATOM 0 HG22 VAL A 130 13.991 -4.861 3.428 1.00 0.26 H new ATOM 0 HG23 VAL A 130 15.582 -5.659 3.448 1.00 0.26 H new ATOM 1419 N ASP A 131 15.088 -8.459 2.843 1.00 0.36 N ATOM 1420 CA ASP A 131 15.313 -9.246 4.046 1.00 0.44 C ATOM 1421 C ASP A 131 14.021 -9.956 4.470 1.00 0.43 C ATOM 1422 O ASP A 131 13.716 -10.099 5.656 1.00 0.50 O ATOM 1423 CB ASP A 131 15.866 -8.345 5.153 1.00 0.48 C ATOM 1424 CG ASP A 131 16.299 -9.117 6.385 1.00 0.59 C ATOM 1425 OD1 ASP A 131 17.217 -9.954 6.275 1.00 0.74 O ATOM 1426 OD2 ASP A 131 15.736 -8.884 7.475 1.00 0.59 O ATOM 0 H ASP A 131 15.725 -8.679 2.077 1.00 0.36 H new ATOM 0 HA ASP A 131 16.052 -10.021 3.845 1.00 0.44 H new ATOM 0 HB2 ASP A 131 16.716 -7.783 4.766 1.00 0.48 H new ATOM 0 HB3 ASP A 131 15.105 -7.618 5.436 1.00 0.48 H new ATOM 1431 N GLY A 132 13.249 -10.367 3.469 1.00 0.39 N ATOM 1432 CA GLY A 132 12.031 -11.121 3.710 1.00 0.40 C ATOM 1433 C GLY A 132 10.845 -10.247 4.072 1.00 0.40 C ATOM 1434 O GLY A 132 9.723 -10.736 4.200 1.00 0.59 O ATOM 0 H GLY A 132 13.448 -10.189 2.485 1.00 0.39 H new ATOM 0 HA2 GLY A 132 11.788 -11.700 2.819 1.00 0.40 H new ATOM 0 HA3 GLY A 132 12.207 -11.834 4.515 1.00 0.40 H new ATOM 1438 N LYS A 133 11.082 -8.956 4.224 1.00 0.30 N ATOM 1439 CA LYS A 133 10.042 -8.035 4.649 1.00 0.29 C ATOM 1440 C LYS A 133 9.691 -7.052 3.555 1.00 0.26 C ATOM 1441 O LYS A 133 10.493 -6.774 2.669 1.00 0.33 O ATOM 1442 CB LYS A 133 10.487 -7.288 5.903 1.00 0.33 C ATOM 1443 CG LYS A 133 10.402 -8.130 7.159 1.00 0.40 C ATOM 1444 CD LYS A 133 11.119 -7.482 8.330 1.00 0.80 C ATOM 1445 CE LYS A 133 12.623 -7.453 8.116 1.00 0.62 C ATOM 1446 NZ LYS A 133 13.208 -8.820 8.089 1.00 1.15 N ATOM 0 H LYS A 133 11.989 -8.520 4.059 1.00 0.30 H new ATOM 0 HA LYS A 133 9.148 -8.618 4.873 1.00 0.29 H new ATOM 0 HB2 LYS A 133 11.514 -6.947 5.770 1.00 0.33 H new ATOM 0 HB3 LYS A 133 9.869 -6.398 6.027 1.00 0.33 H new ATOM 0 HG2 LYS A 133 9.355 -8.289 7.418 1.00 0.40 H new ATOM 0 HG3 LYS A 133 10.835 -9.112 6.967 1.00 0.40 H new ATOM 0 HD2 LYS A 133 10.750 -6.465 8.466 1.00 0.80 H new ATOM 0 HD3 LYS A 133 10.891 -8.029 9.245 1.00 0.80 H new ATOM 0 HE2 LYS A 133 12.846 -6.945 7.178 1.00 0.62 H new ATOM 0 HE3 LYS A 133 13.091 -6.874 8.912 1.00 0.62 H new ATOM 0 HZ1 LYS A 133 14.242 -8.757 8.180 1.00 1.15 H new ATOM 0 HZ2 LYS A 133 12.824 -9.377 8.879 1.00 1.15 H new ATOM 0 HZ3 LYS A 133 12.967 -9.283 7.189 1.00 1.15 H new ATOM 1460 N TYR A 134 8.489 -6.523 3.633 1.00 0.25 N ATOM 1461 CA TYR A 134 7.991 -5.621 2.614 1.00 0.23 C ATOM 1462 C TYR A 134 8.113 -4.176 3.050 1.00 0.22 C ATOM 1463 O TYR A 134 7.771 -3.812 4.178 1.00 0.26 O ATOM 1464 CB TYR A 134 6.545 -5.939 2.273 1.00 0.28 C ATOM 1465 CG TYR A 134 6.369 -6.466 0.875 1.00 0.46 C ATOM 1466 CD1 TYR A 134 6.259 -5.607 -0.208 1.00 0.64 C ATOM 1467 CD2 TYR A 134 6.309 -7.822 0.640 1.00 0.63 C ATOM 1468 CE1 TYR A 134 6.086 -6.096 -1.486 1.00 0.88 C ATOM 1469 CE2 TYR A 134 6.132 -8.319 -0.638 1.00 0.86 C ATOM 1470 CZ TYR A 134 6.019 -7.453 -1.690 1.00 0.91 C ATOM 1471 OH TYR A 134 5.815 -7.949 -2.949 1.00 1.22 O ATOM 0 H TYR A 134 7.835 -6.702 4.395 1.00 0.25 H new ATOM 0 HA TYR A 134 8.604 -5.763 1.724 1.00 0.23 H new ATOM 0 HB2 TYR A 134 6.164 -6.674 2.982 1.00 0.28 H new ATOM 0 HB3 TYR A 134 5.943 -5.038 2.393 1.00 0.28 H new ATOM 0 HD1 TYR A 134 6.310 -4.540 -0.049 1.00 0.64 H new ATOM 0 HD2 TYR A 134 6.402 -8.509 1.468 1.00 0.63 H new ATOM 0 HE1 TYR A 134 6.004 -5.416 -2.321 1.00 0.88 H new ATOM 0 HE2 TYR A 134 6.083 -9.385 -0.804 1.00 0.86 H new ATOM 0 HH TYR A 134 5.795 -8.928 -2.916 1.00 1.22 H new ATOM 1481 N TYR A 135 8.606 -3.364 2.139 1.00 0.19 N ATOM 1482 CA TYR A 135 8.795 -1.952 2.379 1.00 0.20 C ATOM 1483 C TYR A 135 8.399 -1.170 1.148 1.00 0.19 C ATOM 1484 O TYR A 135 8.191 -1.735 0.075 1.00 0.21 O ATOM 1485 CB TYR A 135 10.263 -1.641 2.698 1.00 0.19 C ATOM 1486 CG TYR A 135 10.853 -2.426 3.831 1.00 0.21 C ATOM 1487 CD1 TYR A 135 10.785 -1.953 5.129 1.00 0.28 C ATOM 1488 CD2 TYR A 135 11.500 -3.627 3.599 1.00 0.22 C ATOM 1489 CE1 TYR A 135 11.344 -2.660 6.167 1.00 0.32 C ATOM 1490 CE2 TYR A 135 12.063 -4.334 4.621 1.00 0.26 C ATOM 1491 CZ TYR A 135 11.987 -3.853 5.911 1.00 0.31 C ATOM 1492 OH TYR A 135 12.561 -4.559 6.945 1.00 0.37 O ATOM 0 H TYR A 135 8.888 -3.668 1.207 1.00 0.19 H new ATOM 0 HA TYR A 135 8.174 -1.669 3.229 1.00 0.20 H new ATOM 0 HB2 TYR A 135 10.858 -1.823 1.803 1.00 0.19 H new ATOM 0 HB3 TYR A 135 10.350 -0.579 2.929 1.00 0.19 H new ATOM 0 HD1 TYR A 135 10.286 -1.016 5.330 1.00 0.28 H new ATOM 0 HD2 TYR A 135 11.560 -4.011 2.591 1.00 0.22 H new ATOM 0 HE1 TYR A 135 11.280 -2.283 7.177 1.00 0.32 H new ATOM 0 HE2 TYR A 135 12.567 -5.268 4.420 1.00 0.26 H new ATOM 0 HH TYR A 135 12.063 -4.391 7.772 1.00 0.37 H new ATOM 1502 N VAL A 136 8.292 0.124 1.317 1.00 0.21 N ATOM 1503 CA VAL A 136 8.128 1.031 0.212 1.00 0.22 C ATOM 1504 C VAL A 136 9.164 2.125 0.328 1.00 0.23 C ATOM 1505 O VAL A 136 9.042 3.047 1.134 1.00 0.31 O ATOM 1506 CB VAL A 136 6.714 1.628 0.152 1.00 0.25 C ATOM 1507 CG1 VAL A 136 6.624 2.676 -0.947 1.00 0.26 C ATOM 1508 CG2 VAL A 136 5.694 0.524 -0.075 1.00 0.26 C ATOM 0 H VAL A 136 8.316 0.579 2.230 1.00 0.21 H new ATOM 0 HA VAL A 136 8.267 0.476 -0.716 1.00 0.22 H new ATOM 0 HB VAL A 136 6.497 2.114 1.103 1.00 0.25 H new ATOM 0 HG11 VAL A 136 5.615 3.088 -0.975 1.00 0.26 H new ATOM 0 HG12 VAL A 136 7.337 3.475 -0.747 1.00 0.26 H new ATOM 0 HG13 VAL A 136 6.855 2.216 -1.908 1.00 0.26 H new ATOM 0 HG21 VAL A 136 4.694 0.956 -0.116 1.00 0.26 H new ATOM 0 HG22 VAL A 136 5.910 0.017 -1.016 1.00 0.26 H new ATOM 0 HG23 VAL A 136 5.746 -0.193 0.744 1.00 0.26 H new ATOM 1518 N TYR A 137 10.209 1.983 -0.449 1.00 0.20 N ATOM 1519 CA TYR A 137 11.306 2.916 -0.421 1.00 0.24 C ATOM 1520 C TYR A 137 11.032 4.083 -1.333 1.00 0.27 C ATOM 1521 O TYR A 137 10.945 3.947 -2.553 1.00 0.46 O ATOM 1522 CB TYR A 137 12.601 2.230 -0.764 1.00 0.35 C ATOM 1523 CG TYR A 137 13.741 3.178 -0.637 1.00 0.50 C ATOM 1524 CD1 TYR A 137 14.079 3.572 0.582 1.00 0.59 C ATOM 1525 CD2 TYR A 137 14.499 3.604 -1.709 1.00 0.63 C ATOM 1526 CE1 TYR A 137 15.148 4.391 0.813 1.00 0.76 C ATOM 1527 CE2 TYR A 137 15.576 4.442 -1.522 1.00 0.78 C ATOM 1528 CZ TYR A 137 15.786 5.017 -0.559 1.00 0.77 C ATOM 1529 OH TYR A 137 16.981 5.666 -0.030 1.00 1.01 O ATOM 0 H TYR A 137 10.322 1.220 -1.116 1.00 0.20 H new ATOM 0 HA TYR A 137 11.405 3.306 0.592 1.00 0.24 H new ATOM 0 HB2 TYR A 137 12.754 1.377 -0.103 1.00 0.35 H new ATOM 0 HB3 TYR A 137 12.555 1.841 -1.781 1.00 0.35 H new ATOM 0 HD1 TYR A 137 13.490 3.234 1.422 1.00 0.59 H new ATOM 0 HD2 TYR A 137 14.245 3.276 -2.706 1.00 0.63 H new ATOM 0 HE1 TYR A 137 15.533 4.604 1.799 1.00 0.76 H new ATOM 0 HE2 TYR A 137 16.268 4.563 -2.342 1.00 0.78 H new ATOM 0 HH TYR A 137 17.473 6.092 -0.762 1.00 1.01 H new ATOM 1539 N LEU A 138 10.879 5.230 -0.705 1.00 0.29 N ATOM 1540 CA LEU A 138 10.524 6.446 -1.390 1.00 0.38 C ATOM 1541 C LEU A 138 11.772 7.159 -1.870 1.00 0.44 C ATOM 1542 O LEU A 138 12.759 7.263 -1.140 1.00 0.50 O ATOM 1543 CB LEU A 138 9.746 7.347 -0.440 1.00 0.48 C ATOM 1544 CG LEU A 138 8.747 8.279 -1.115 1.00 0.64 C ATOM 1545 CD1 LEU A 138 7.696 7.477 -1.862 1.00 0.72 C ATOM 1546 CD2 LEU A 138 8.096 9.187 -0.092 1.00 0.72 C ATOM 0 H LEU A 138 10.999 5.341 0.302 1.00 0.29 H new ATOM 0 HA LEU A 138 9.906 6.205 -2.255 1.00 0.38 H new ATOM 0 HB2 LEU A 138 9.212 6.722 0.275 1.00 0.48 H new ATOM 0 HB3 LEU A 138 10.455 7.948 0.130 1.00 0.48 H new ATOM 0 HG LEU A 138 9.282 8.899 -1.834 1.00 0.64 H new ATOM 0 HD11 LEU A 138 6.990 8.157 -2.339 1.00 0.72 H new ATOM 0 HD12 LEU A 138 8.179 6.864 -2.623 1.00 0.72 H new ATOM 0 HD13 LEU A 138 7.163 6.834 -1.162 1.00 0.72 H new ATOM 0 HD21 LEU A 138 7.385 9.846 -0.591 1.00 0.72 H new ATOM 0 HD22 LEU A 138 7.573 8.583 0.649 1.00 0.72 H new ATOM 0 HD23 LEU A 138 8.861 9.786 0.402 1.00 0.72 H new ATOM 1558 N LYS A 139 11.723 7.644 -3.096 1.00 0.46 N ATOM 1559 CA LYS A 139 12.843 8.368 -3.671 1.00 0.54 C ATOM 1560 C LYS A 139 12.826 9.826 -3.216 1.00 0.64 C ATOM 1561 O LYS A 139 13.829 10.530 -3.315 1.00 0.74 O ATOM 1562 CB LYS A 139 12.799 8.280 -5.193 1.00 0.56 C ATOM 1563 CG LYS A 139 12.882 6.853 -5.714 1.00 0.50 C ATOM 1564 CD LYS A 139 12.837 6.784 -7.235 1.00 0.59 C ATOM 1565 CE LYS A 139 11.420 6.887 -7.788 1.00 1.51 C ATOM 1566 NZ LYS A 139 10.853 8.259 -7.689 1.00 2.31 N ATOM 0 H LYS A 139 10.918 7.550 -3.715 1.00 0.46 H new ATOM 0 HA LYS A 139 13.770 7.913 -3.323 1.00 0.54 H new ATOM 0 HB2 LYS A 139 11.876 8.737 -5.550 1.00 0.56 H new ATOM 0 HB3 LYS A 139 13.623 8.860 -5.608 1.00 0.56 H new ATOM 0 HG2 LYS A 139 13.805 6.393 -5.360 1.00 0.50 H new ATOM 0 HG3 LYS A 139 12.057 6.271 -5.303 1.00 0.50 H new ATOM 0 HD2 LYS A 139 13.443 7.590 -7.649 1.00 0.59 H new ATOM 0 HD3 LYS A 139 13.284 5.846 -7.565 1.00 0.59 H new ATOM 0 HE2 LYS A 139 11.420 6.575 -8.832 1.00 1.51 H new ATOM 0 HE3 LYS A 139 10.775 6.194 -7.249 1.00 1.51 H new ATOM 0 HZ1 LYS A 139 10.108 8.379 -8.405 1.00 2.31 H new ATOM 0 HZ2 LYS A 139 10.448 8.400 -6.741 1.00 2.31 H new ATOM 0 HZ3 LYS A 139 11.606 8.958 -7.851 1.00 2.31 H new ATOM 1580 N ASP A 140 11.677 10.269 -2.712 1.00 0.66 N ATOM 1581 CA ASP A 140 11.540 11.621 -2.191 1.00 0.78 C ATOM 1582 C ASP A 140 10.660 11.608 -0.949 1.00 0.77 C ATOM 1583 O ASP A 140 9.444 11.775 -1.030 1.00 0.88 O ATOM 1584 CB ASP A 140 10.938 12.549 -3.244 1.00 1.00 C ATOM 1585 CG ASP A 140 10.930 13.998 -2.800 1.00 1.24 C ATOM 1586 OD1 ASP A 140 10.009 14.390 -2.053 1.00 1.58 O ATOM 1587 OD2 ASP A 140 11.845 14.750 -3.190 1.00 1.57 O ATOM 0 H ASP A 140 10.827 9.708 -2.655 1.00 0.66 H new ATOM 0 HA ASP A 140 12.531 11.993 -1.930 1.00 0.78 H new ATOM 0 HB2 ASP A 140 11.505 12.459 -4.171 1.00 1.00 H new ATOM 0 HB3 ASP A 140 9.918 12.233 -3.462 1.00 1.00 H new ATOM 1592 N ALA A 141 11.281 11.397 0.200 1.00 0.73 N ATOM 1593 CA ALA A 141 10.554 11.297 1.458 1.00 0.79 C ATOM 1594 C ALA A 141 10.206 12.677 2.005 1.00 0.97 C ATOM 1595 O ALA A 141 9.485 12.801 2.993 1.00 1.12 O ATOM 1596 CB ALA A 141 11.373 10.523 2.478 1.00 0.86 C ATOM 0 H ALA A 141 12.292 11.291 0.289 1.00 0.73 H new ATOM 0 HA ALA A 141 9.623 10.763 1.267 1.00 0.79 H new ATOM 0 HB1 ALA A 141 10.819 10.455 3.414 1.00 0.86 H new ATOM 0 HB2 ALA A 141 11.571 9.520 2.100 1.00 0.86 H new ATOM 0 HB3 ALA A 141 12.318 11.038 2.652 1.00 0.86 H new ATOM 1602 N ALA A 142 10.720 13.709 1.347 1.00 1.02 N ATOM 1603 CA ALA A 142 10.632 15.066 1.862 1.00 1.26 C ATOM 1604 C ALA A 142 9.386 15.808 1.384 1.00 1.37 C ATOM 1605 O ALA A 142 8.782 16.558 2.151 1.00 1.60 O ATOM 1606 CB ALA A 142 11.876 15.843 1.481 1.00 1.38 C ATOM 0 H ALA A 142 11.204 13.629 0.452 1.00 1.02 H new ATOM 0 HA ALA A 142 10.555 14.989 2.947 1.00 1.26 H new ATOM 0 HB1 ALA A 142 11.804 16.859 1.870 1.00 1.38 H new ATOM 0 HB2 ALA A 142 12.754 15.354 1.904 1.00 1.38 H new ATOM 0 HB3 ALA A 142 11.966 15.876 0.395 1.00 1.38 H new ATOM 1612 N HIS A 143 9.009 15.632 0.123 1.00 1.30 N ATOM 1613 CA HIS A 143 7.881 16.380 -0.425 1.00 1.50 C ATOM 1614 C HIS A 143 6.631 15.518 -0.465 1.00 1.25 C ATOM 1615 O HIS A 143 5.582 15.954 -0.944 1.00 1.33 O ATOM 1616 CB HIS A 143 8.174 16.892 -1.836 1.00 1.74 C ATOM 1617 CG HIS A 143 9.372 17.786 -1.931 1.00 2.20 C ATOM 1618 ND1 HIS A 143 10.659 17.573 -1.583 1.00 2.83 N flip ATOM 1619 CD2 HIS A 143 9.328 19.058 -2.458 1.00 2.47 C flip ATOM 1620 CE1 HIS A 143 11.365 18.705 -1.907 1.00 3.41 C flip ATOM 1621 NE2 HIS A 143 10.537 19.585 -2.434 1.00 3.11 N flip ATOM 0 H HIS A 143 9.458 14.990 -0.530 1.00 1.30 H new ATOM 0 HA HIS A 143 7.719 17.234 0.233 1.00 1.50 H new ATOM 0 HB2 HIS A 143 8.320 16.038 -2.497 1.00 1.74 H new ATOM 0 HB3 HIS A 143 7.301 17.433 -2.202 1.00 1.74 H new ATOM 0 HD2 HIS A 143 8.441 19.548 -2.833 1.00 2.47 H new ATOM 0 HE1 HIS A 143 12.424 18.851 -1.755 1.00 3.41 H new ATOM 0 HE2 HIS A 143 10.789 20.516 -2.767 1.00 3.11 H new ATOM 1630 N ALA A 144 6.770 14.300 0.052 1.00 0.99 N ATOM 1631 CA ALA A 144 5.712 13.297 0.042 1.00 0.77 C ATOM 1632 C ALA A 144 5.419 12.796 -1.358 1.00 0.76 C ATOM 1633 O ALA A 144 4.900 13.513 -2.212 1.00 1.13 O ATOM 1634 CB ALA A 144 4.449 13.824 0.684 1.00 0.88 C ATOM 0 H ALA A 144 7.631 13.979 0.495 1.00 0.99 H new ATOM 0 HA ALA A 144 6.074 12.454 0.630 1.00 0.77 H new ATOM 0 HB1 ALA A 144 3.680 13.052 0.661 1.00 0.88 H new ATOM 0 HB2 ALA A 144 4.655 14.100 1.718 1.00 0.88 H new ATOM 0 HB3 ALA A 144 4.101 14.700 0.137 1.00 0.88 H new ATOM 1640 N ASP A 145 5.746 11.544 -1.569 1.00 0.59 N ATOM 1641 CA ASP A 145 5.464 10.875 -2.816 1.00 0.87 C ATOM 1642 C ASP A 145 4.477 9.752 -2.566 1.00 0.66 C ATOM 1643 O ASP A 145 4.830 8.587 -2.673 1.00 0.75 O ATOM 1644 CB ASP A 145 6.738 10.346 -3.470 1.00 1.23 C ATOM 1645 CG ASP A 145 7.056 11.055 -4.772 1.00 1.79 C ATOM 1646 OD1 ASP A 145 6.226 10.996 -5.705 1.00 1.99 O ATOM 1647 OD2 ASP A 145 8.141 11.660 -4.881 1.00 2.20 O ATOM 0 H ASP A 145 6.217 10.959 -0.879 1.00 0.59 H new ATOM 0 HA ASP A 145 5.027 11.594 -3.509 1.00 0.87 H new ATOM 0 HB2 ASP A 145 7.574 10.466 -2.781 1.00 1.23 H new ATOM 0 HB3 ASP A 145 6.630 9.278 -3.658 1.00 1.23 H new ATOM 1652 N ASN A 146 3.263 10.144 -2.154 1.00 0.48 N ATOM 1653 CA ASN A 146 2.121 9.235 -1.915 1.00 0.32 C ATOM 1654 C ASN A 146 2.164 8.633 -0.519 1.00 0.25 C ATOM 1655 O ASN A 146 1.295 7.858 -0.146 1.00 0.37 O ATOM 1656 CB ASN A 146 2.018 8.135 -3.015 1.00 0.38 C ATOM 1657 CG ASN A 146 2.706 6.787 -2.714 1.00 0.76 C ATOM 1658 OD1 ASN A 146 2.591 6.216 -1.634 1.00 1.69 O ATOM 1659 ND2 ASN A 146 3.451 6.270 -3.680 1.00 0.65 N ATOM 0 H ASN A 146 3.038 11.122 -1.972 1.00 0.48 H new ATOM 0 HA ASN A 146 1.214 9.836 -1.978 1.00 0.32 H new ATOM 0 HB2 ASN A 146 0.962 7.943 -3.206 1.00 0.38 H new ATOM 0 HB3 ASN A 146 2.441 8.535 -3.937 1.00 0.38 H new ATOM 0 HD21 ASN A 146 3.938 5.386 -3.531 1.00 0.65 H new ATOM 0 HD22 ASN A 146 3.537 6.756 -4.573 1.00 0.65 H new ATOM 1666 N ILE A 147 3.123 9.041 0.286 1.00 0.30 N ATOM 1667 CA ILE A 147 3.247 8.478 1.617 1.00 0.34 C ATOM 1668 C ILE A 147 2.468 9.281 2.650 1.00 0.38 C ATOM 1669 O ILE A 147 2.719 10.468 2.855 1.00 0.46 O ATOM 1670 CB ILE A 147 4.712 8.374 2.062 1.00 0.42 C ATOM 1671 CG1 ILE A 147 5.507 7.520 1.076 1.00 0.46 C ATOM 1672 CG2 ILE A 147 4.792 7.793 3.466 1.00 0.49 C ATOM 1673 CD1 ILE A 147 4.979 6.112 0.911 1.00 0.50 C ATOM 0 H ILE A 147 3.818 9.749 0.049 1.00 0.30 H new ATOM 0 HA ILE A 147 2.824 7.475 1.557 1.00 0.34 H new ATOM 0 HB ILE A 147 5.149 9.373 2.077 1.00 0.42 H new ATOM 0 HG12 ILE A 147 5.507 8.013 0.104 1.00 0.46 H new ATOM 0 HG13 ILE A 147 6.544 7.471 1.409 1.00 0.46 H new ATOM 0 HG21 ILE A 147 5.836 7.723 3.772 1.00 0.49 H new ATOM 0 HG22 ILE A 147 4.253 8.440 4.159 1.00 0.49 H new ATOM 0 HG23 ILE A 147 4.344 6.799 3.475 1.00 0.49 H new ATOM 0 HD11 ILE A 147 5.599 5.573 0.195 1.00 0.50 H new ATOM 0 HD12 ILE A 147 5.005 5.599 1.872 1.00 0.50 H new ATOM 0 HD13 ILE A 147 3.952 6.149 0.547 1.00 0.50 H new ATOM 1685 N ARG A 148 1.517 8.613 3.280 1.00 0.36 N ATOM 1686 CA ARG A 148 0.779 9.156 4.408 1.00 0.38 C ATOM 1687 C ARG A 148 1.426 8.688 5.704 1.00 0.36 C ATOM 1688 O ARG A 148 1.702 7.498 5.871 1.00 0.39 O ATOM 1689 CB ARG A 148 -0.668 8.674 4.368 1.00 0.45 C ATOM 1690 CG ARG A 148 -1.625 9.554 3.576 1.00 0.62 C ATOM 1691 CD ARG A 148 -1.160 9.828 2.154 1.00 0.83 C ATOM 1692 NE ARG A 148 -0.334 11.027 2.052 1.00 0.98 N ATOM 1693 CZ ARG A 148 -0.014 11.610 0.900 1.00 1.03 C ATOM 1694 NH1 ARG A 148 -0.460 11.113 -0.249 1.00 1.40 N ATOM 1695 NH2 ARG A 148 0.736 12.700 0.892 1.00 1.78 N ATOM 0 H ARG A 148 1.232 7.669 3.020 1.00 0.36 H new ATOM 0 HA ARG A 148 0.796 10.245 4.355 1.00 0.38 H new ATOM 0 HB2 ARG A 148 -0.688 7.670 3.943 1.00 0.45 H new ATOM 0 HB3 ARG A 148 -1.036 8.595 5.391 1.00 0.45 H new ATOM 0 HG2 ARG A 148 -2.604 9.076 3.544 1.00 0.62 H new ATOM 0 HG3 ARG A 148 -1.751 10.503 4.098 1.00 0.62 H new ATOM 0 HD2 ARG A 148 -0.595 8.970 1.790 1.00 0.83 H new ATOM 0 HD3 ARG A 148 -2.030 9.935 1.506 1.00 0.83 H new ATOM 0 HE ARG A 148 0.018 11.442 2.914 1.00 0.98 H new ATOM 0 HH11 ARG A 148 -1.050 10.281 -0.250 1.00 1.40 H new ATOM 0 HH12 ARG A 148 -0.212 11.563 -1.130 1.00 1.40 H new ATOM 0 HH21 ARG A 148 1.070 13.095 1.771 1.00 1.78 H new ATOM 0 HH22 ARG A 148 0.980 13.145 0.007 1.00 1.78 H new ATOM 1709 N THR A 149 1.688 9.612 6.610 1.00 0.33 N ATOM 1710 CA THR A 149 2.233 9.256 7.905 1.00 0.31 C ATOM 1711 C THR A 149 1.164 8.620 8.772 1.00 0.28 C ATOM 1712 O THR A 149 -0.011 8.748 8.467 1.00 0.29 O ATOM 1713 CB THR A 149 2.811 10.483 8.628 1.00 0.34 C ATOM 1714 OG1 THR A 149 1.879 11.568 8.578 1.00 0.37 O ATOM 1715 CG2 THR A 149 4.124 10.899 7.991 1.00 0.40 C ATOM 0 H THR A 149 1.533 10.611 6.473 1.00 0.33 H new ATOM 0 HA THR A 149 3.039 8.542 7.735 1.00 0.31 H new ATOM 0 HB THR A 149 2.993 10.220 9.670 1.00 0.34 H new ATOM 0 HG1 THR A 149 2.256 12.344 9.043 1.00 0.37 H new ATOM 0 HG21 THR A 149 4.522 11.769 8.513 1.00 0.40 H new ATOM 0 HG22 THR A 149 4.837 10.078 8.058 1.00 0.40 H new ATOM 0 HG23 THR A 149 3.957 11.149 6.943 1.00 0.40 H new ATOM 1723 N LYS A 150 1.547 7.943 9.841 1.00 0.31 N ATOM 1724 CA LYS A 150 0.557 7.389 10.758 1.00 0.34 C ATOM 1725 C LYS A 150 -0.316 8.507 11.309 1.00 0.31 C ATOM 1726 O LYS A 150 -1.508 8.321 11.571 1.00 0.39 O ATOM 1727 CB LYS A 150 1.220 6.627 11.883 1.00 0.41 C ATOM 1728 CG LYS A 150 1.697 5.274 11.438 1.00 0.63 C ATOM 1729 CD LYS A 150 2.004 4.377 12.609 1.00 1.48 C ATOM 1730 CE LYS A 150 0.748 3.961 13.360 1.00 2.24 C ATOM 1731 NZ LYS A 150 -0.123 3.078 12.536 1.00 3.02 N ATOM 0 H LYS A 150 2.518 7.764 10.096 1.00 0.31 H new ATOM 0 HA LYS A 150 -0.069 6.686 10.208 1.00 0.34 H new ATOM 0 HB2 LYS A 150 2.064 7.202 12.263 1.00 0.41 H new ATOM 0 HB3 LYS A 150 0.516 6.511 12.707 1.00 0.41 H new ATOM 0 HG2 LYS A 150 0.936 4.808 10.812 1.00 0.63 H new ATOM 0 HG3 LYS A 150 2.590 5.387 10.823 1.00 0.63 H new ATOM 0 HD2 LYS A 150 2.525 3.487 12.256 1.00 1.48 H new ATOM 0 HD3 LYS A 150 2.679 4.892 13.292 1.00 1.48 H new ATOM 0 HE2 LYS A 150 1.028 3.442 14.277 1.00 2.24 H new ATOM 0 HE3 LYS A 150 0.190 4.850 13.655 1.00 2.24 H new ATOM 0 HZ1 LYS A 150 -0.951 2.789 13.094 1.00 3.02 H new ATOM 0 HZ2 LYS A 150 -0.439 3.594 11.690 1.00 3.02 H new ATOM 0 HZ3 LYS A 150 0.412 2.234 12.248 1.00 3.02 H new ATOM 1745 N GLU A 151 0.295 9.674 11.459 1.00 0.29 N ATOM 1746 CA GLU A 151 -0.423 10.874 11.839 1.00 0.34 C ATOM 1747 C GLU A 151 -1.389 11.290 10.738 1.00 0.36 C ATOM 1748 O GLU A 151 -2.579 11.507 10.989 1.00 0.48 O ATOM 1749 CB GLU A 151 0.556 12.011 12.126 1.00 0.44 C ATOM 1750 CG GLU A 151 1.462 11.755 13.310 1.00 0.56 C ATOM 1751 CD GLU A 151 2.501 12.839 13.495 1.00 1.01 C ATOM 1752 OE1 GLU A 151 2.118 13.991 13.793 1.00 1.19 O ATOM 1753 OE2 GLU A 151 3.706 12.551 13.343 1.00 1.36 O ATOM 0 H GLU A 151 1.296 9.811 11.321 1.00 0.29 H new ATOM 0 HA GLU A 151 -0.992 10.659 12.743 1.00 0.34 H new ATOM 0 HB2 GLU A 151 1.170 12.181 11.241 1.00 0.44 H new ATOM 0 HB3 GLU A 151 -0.008 12.927 12.304 1.00 0.44 H new ATOM 0 HG2 GLU A 151 0.858 11.678 14.214 1.00 0.56 H new ATOM 0 HG3 GLU A 151 1.963 10.796 13.178 1.00 0.56 H new ATOM 1760 N GLU A 152 -0.874 11.377 9.518 1.00 0.34 N ATOM 1761 CA GLU A 152 -1.665 11.810 8.378 1.00 0.40 C ATOM 1762 C GLU A 152 -2.761 10.816 8.070 1.00 0.40 C ATOM 1763 O GLU A 152 -3.865 11.202 7.738 1.00 0.50 O ATOM 1764 CB GLU A 152 -0.791 11.979 7.144 1.00 0.44 C ATOM 1765 CG GLU A 152 -1.497 12.662 5.990 1.00 0.54 C ATOM 1766 CD GLU A 152 -0.537 13.085 4.900 1.00 0.67 C ATOM 1767 OE1 GLU A 152 0.159 12.215 4.346 1.00 0.83 O ATOM 1768 OE2 GLU A 152 -0.454 14.296 4.611 1.00 0.76 O ATOM 0 H GLU A 152 0.095 11.151 9.294 1.00 0.34 H new ATOM 0 HA GLU A 152 -2.112 12.769 8.640 1.00 0.40 H new ATOM 0 HB2 GLU A 152 0.093 12.557 7.412 1.00 0.44 H new ATOM 0 HB3 GLU A 152 -0.444 10.999 6.818 1.00 0.44 H new ATOM 0 HG2 GLU A 152 -2.243 11.986 5.572 1.00 0.54 H new ATOM 0 HG3 GLU A 152 -2.031 13.537 6.360 1.00 0.54 H new ATOM 1775 N ILE A 153 -2.445 9.539 8.171 1.00 0.34 N ATOM 1776 CA ILE A 153 -3.406 8.489 7.893 1.00 0.35 C ATOM 1777 C ILE A 153 -4.682 8.681 8.706 1.00 0.39 C ATOM 1778 O ILE A 153 -5.785 8.542 8.183 1.00 0.43 O ATOM 1779 CB ILE A 153 -2.822 7.085 8.167 1.00 0.35 C ATOM 1780 CG1 ILE A 153 -1.735 6.764 7.143 1.00 0.39 C ATOM 1781 CG2 ILE A 153 -3.915 6.023 8.140 1.00 0.43 C ATOM 1782 CD1 ILE A 153 -1.111 5.402 7.324 1.00 0.47 C ATOM 0 H ILE A 153 -1.522 9.202 8.446 1.00 0.34 H new ATOM 0 HA ILE A 153 -3.646 8.558 6.832 1.00 0.35 H new ATOM 0 HB ILE A 153 -2.380 7.083 9.164 1.00 0.35 H new ATOM 0 HG12 ILE A 153 -2.162 6.828 6.142 1.00 0.39 H new ATOM 0 HG13 ILE A 153 -0.954 7.522 7.206 1.00 0.39 H new ATOM 0 HG21 ILE A 153 -3.476 5.044 8.336 1.00 0.43 H new ATOM 0 HG22 ILE A 153 -4.659 6.247 8.905 1.00 0.43 H new ATOM 0 HG23 ILE A 153 -4.392 6.017 7.160 1.00 0.43 H new ATOM 0 HD11 ILE A 153 -0.349 5.247 6.560 1.00 0.47 H new ATOM 0 HD12 ILE A 153 -0.654 5.340 8.311 1.00 0.47 H new ATOM 0 HD13 ILE A 153 -1.879 4.634 7.231 1.00 0.47 H new ATOM 1794 N LYS A 154 -4.534 9.022 9.978 1.00 0.42 N ATOM 1795 CA LYS A 154 -5.694 9.284 10.820 1.00 0.50 C ATOM 1796 C LYS A 154 -6.409 10.550 10.354 1.00 0.56 C ATOM 1797 O LYS A 154 -7.625 10.654 10.441 1.00 0.64 O ATOM 1798 CB LYS A 154 -5.277 9.428 12.282 1.00 0.57 C ATOM 1799 CG LYS A 154 -4.578 8.203 12.845 1.00 1.42 C ATOM 1800 CD LYS A 154 -4.116 8.441 14.272 1.00 1.77 C ATOM 1801 CE LYS A 154 -3.445 7.210 14.860 1.00 2.57 C ATOM 1802 NZ LYS A 154 -2.188 6.853 14.148 1.00 3.43 N ATOM 0 H LYS A 154 -3.634 9.123 10.446 1.00 0.42 H new ATOM 0 HA LYS A 154 -6.377 8.439 10.736 1.00 0.50 H new ATOM 0 HB2 LYS A 154 -4.615 10.288 12.378 1.00 0.57 H new ATOM 0 HB3 LYS A 154 -6.162 9.638 12.883 1.00 0.57 H new ATOM 0 HG2 LYS A 154 -5.256 7.350 12.817 1.00 1.42 H new ATOM 0 HG3 LYS A 154 -3.721 7.951 12.220 1.00 1.42 H new ATOM 0 HD2 LYS A 154 -3.420 9.280 14.294 1.00 1.77 H new ATOM 0 HD3 LYS A 154 -4.970 8.719 14.889 1.00 1.77 H new ATOM 0 HE2 LYS A 154 -3.225 7.388 15.913 1.00 2.57 H new ATOM 0 HE3 LYS A 154 -4.136 6.368 14.816 1.00 2.57 H new ATOM 0 HZ1 LYS A 154 -2.285 5.908 13.724 1.00 3.43 H new ATOM 0 HZ2 LYS A 154 -2.003 7.551 13.400 1.00 3.43 H new ATOM 0 HZ3 LYS A 154 -1.396 6.850 14.822 1.00 3.43 H new ATOM 1816 N ARG A 155 -5.643 11.506 9.855 1.00 0.54 N ATOM 1817 CA ARG A 155 -6.204 12.722 9.279 1.00 0.63 C ATOM 1818 C ARG A 155 -6.971 12.391 8.001 1.00 0.66 C ATOM 1819 O ARG A 155 -8.097 12.839 7.796 1.00 0.80 O ATOM 1820 CB ARG A 155 -5.088 13.708 8.968 1.00 0.65 C ATOM 1821 CG ARG A 155 -5.579 15.053 8.477 1.00 1.21 C ATOM 1822 CD ARG A 155 -4.421 15.918 8.029 1.00 1.31 C ATOM 1823 NE ARG A 155 -4.860 17.250 7.627 1.00 2.28 N ATOM 1824 CZ ARG A 155 -4.094 18.123 6.972 1.00 2.71 C ATOM 1825 NH1 ARG A 155 -2.852 17.803 6.627 1.00 2.34 N ATOM 1826 NH2 ARG A 155 -4.568 19.320 6.662 1.00 3.70 N ATOM 0 H ARG A 155 -4.624 11.465 9.836 1.00 0.54 H new ATOM 0 HA ARG A 155 -6.890 13.170 9.998 1.00 0.63 H new ATOM 0 HB2 ARG A 155 -4.487 13.857 9.865 1.00 0.65 H new ATOM 0 HB3 ARG A 155 -4.432 13.274 8.213 1.00 0.65 H new ATOM 0 HG2 ARG A 155 -6.274 14.911 7.649 1.00 1.21 H new ATOM 0 HG3 ARG A 155 -6.129 15.557 9.272 1.00 1.21 H new ATOM 0 HD2 ARG A 155 -3.697 16.004 8.839 1.00 1.31 H new ATOM 0 HD3 ARG A 155 -3.910 15.437 7.195 1.00 1.31 H new ATOM 0 HE ARG A 155 -5.812 17.531 7.862 1.00 2.28 H new ATOM 0 HH11 ARG A 155 -2.478 16.884 6.863 1.00 2.34 H new ATOM 0 HH12 ARG A 155 -2.272 18.476 6.126 1.00 2.34 H new ATOM 0 HH21 ARG A 155 -5.520 19.575 6.924 1.00 3.70 H new ATOM 0 HH22 ARG A 155 -3.981 19.987 6.161 1.00 3.70 H new ATOM 1840 N GLN A 156 -6.343 11.574 7.169 1.00 0.58 N ATOM 1841 CA GLN A 156 -6.883 11.183 5.879 1.00 0.70 C ATOM 1842 C GLN A 156 -8.119 10.301 6.042 1.00 0.67 C ATOM 1843 O GLN A 156 -8.998 10.282 5.181 1.00 0.80 O ATOM 1844 CB GLN A 156 -5.807 10.444 5.082 1.00 0.77 C ATOM 1845 CG GLN A 156 -4.560 11.283 4.841 1.00 0.85 C ATOM 1846 CD GLN A 156 -4.778 12.398 3.839 1.00 1.05 C ATOM 1847 OE1 GLN A 156 -5.141 13.515 4.205 1.00 1.88 O ATOM 1848 NE2 GLN A 156 -4.563 12.104 2.569 1.00 0.92 N ATOM 0 H GLN A 156 -5.434 11.160 7.374 1.00 0.58 H new ATOM 0 HA GLN A 156 -7.185 12.082 5.341 1.00 0.70 H new ATOM 0 HB2 GLN A 156 -5.529 9.535 5.615 1.00 0.77 H new ATOM 0 HB3 GLN A 156 -6.222 10.136 4.122 1.00 0.77 H new ATOM 0 HG2 GLN A 156 -4.230 11.712 5.787 1.00 0.85 H new ATOM 0 HG3 GLN A 156 -3.757 10.636 4.487 1.00 0.85 H new ATOM 0 HE21 GLN A 156 -4.263 11.165 2.307 1.00 0.92 H new ATOM 0 HE22 GLN A 156 -4.697 12.816 1.851 1.00 0.92 H new ATOM 1857 N LYS A 157 -8.189 9.577 7.158 1.00 0.55 N ATOM 1858 CA LYS A 157 -9.290 8.650 7.393 1.00 0.54 C ATOM 1859 C LYS A 157 -10.513 9.363 7.970 1.00 0.62 C ATOM 1860 O LYS A 157 -11.581 8.767 8.111 1.00 0.67 O ATOM 1861 CB LYS A 157 -8.860 7.501 8.314 1.00 0.50 C ATOM 1862 CG LYS A 157 -8.791 7.869 9.782 1.00 0.81 C ATOM 1863 CD LYS A 157 -8.696 6.628 10.658 1.00 1.02 C ATOM 1864 CE LYS A 157 -7.568 5.714 10.211 1.00 0.68 C ATOM 1865 NZ LYS A 157 -7.499 4.466 11.022 1.00 0.90 N ATOM 0 H LYS A 157 -7.500 9.615 7.909 1.00 0.55 H new ATOM 0 HA LYS A 157 -9.569 8.232 6.426 1.00 0.54 H new ATOM 0 HB2 LYS A 157 -9.558 6.673 8.192 1.00 0.50 H new ATOM 0 HB3 LYS A 157 -7.881 7.143 7.995 1.00 0.50 H new ATOM 0 HG2 LYS A 157 -7.926 8.509 9.959 1.00 0.81 H new ATOM 0 HG3 LYS A 157 -9.675 8.444 10.057 1.00 0.81 H new ATOM 0 HD2 LYS A 157 -8.536 6.925 11.694 1.00 1.02 H new ATOM 0 HD3 LYS A 157 -9.640 6.085 10.624 1.00 1.02 H new ATOM 0 HE2 LYS A 157 -7.707 5.456 9.161 1.00 0.68 H new ATOM 0 HE3 LYS A 157 -6.620 6.247 10.286 1.00 0.68 H new ATOM 0 HZ1 LYS A 157 -6.715 3.874 10.681 1.00 0.90 H new ATOM 0 HZ2 LYS A 157 -7.340 4.709 12.021 1.00 0.90 H new ATOM 0 HZ3 LYS A 157 -8.393 3.943 10.931 1.00 0.90 H new ATOM 1879 N GLN A 158 -10.353 10.630 8.319 1.00 0.74 N ATOM 1880 CA GLN A 158 -11.458 11.429 8.798 1.00 0.91 C ATOM 1881 C GLN A 158 -12.125 12.162 7.641 1.00 1.15 C ATOM 1882 O GLN A 158 -11.967 13.397 7.540 1.00 1.78 O ATOM 1883 CB GLN A 158 -10.954 12.418 9.842 1.00 1.18 C ATOM 1884 CG GLN A 158 -10.370 11.742 11.067 1.00 1.48 C ATOM 1885 CD GLN A 158 -9.854 12.727 12.098 1.00 1.88 C ATOM 1886 OE1 GLN A 158 -8.573 13.045 12.018 1.00 2.12 O flip ATOM 1887 NE2 GLN A 158 -10.594 13.180 12.969 1.00 2.52 N flip ATOM 0 H GLN A 158 -9.462 11.124 8.277 1.00 0.74 H new ATOM 0 HA GLN A 158 -12.201 10.777 9.257 1.00 0.91 H new ATOM 0 HB2 GLN A 158 -10.196 13.058 9.391 1.00 1.18 H new ATOM 0 HB3 GLN A 158 -11.776 13.065 10.148 1.00 1.18 H new ATOM 0 HG2 GLN A 158 -11.132 11.111 11.525 1.00 1.48 H new ATOM 0 HG3 GLN A 158 -9.555 11.086 10.760 1.00 1.48 H new ATOM 0 HE21 GLN A 158 -11.577 12.909 12.995 1.00 2.52 H new ATOM 0 HE22 GLN A 158 -10.225 13.827 13.666 1.00 2.52 H new ATOM 1896 N GLU A 159 -12.791 11.496 6.819 1.00 1.48 N TER 1897 GLU A 159 HETATM 1898 ZN ZN A1159 -12.843 0.029 1.781 1.00 0.33 ZN