USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 808 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 CYS SG : rot -179:sc= -5.06! USER MOD Set 1.2: A 62 TYR OH : rot -33:sc= -0.484 USER MOD Set 2.1: A 24 LYS NZ :NH3+ -121:sc= 0.943 (180deg=-0.634) USER MOD Set 2.2: A 36 SER OG : rot 180:sc= -0.536 USER MOD Set 3.1: A 22 GLN : amide:sc= 0.977 X(o=1.2,f=0.95) USER MOD Set 3.2: A 70 SER OG : rot -79:sc= 0.198 USER MOD Single : A 4 TYR OH : rot 70:sc= -3.4! USER MOD Single : A 6 THR OG1 : rot 75:sc= 0.211 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 THR OG1 : rot 103:sc=-0.00591 USER MOD Single : A 13 ASN : amide:sc= -1.09 K(o=-1.1,f=-2.8) USER MOD Single : A 14 ASN :FLIP amide:sc= -0.378 F(o=-1.5,f=-0.38) USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.51 USER MOD Single : A 25 SER OG : rot 97:sc= 1.1 USER MOD Single : A 28 LYS NZ :NH3+ -113:sc= -0.347 (180deg=-0.693) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 8:sc= 0.271! USER MOD Single : A 41 THR OG1 : rot 157:sc= 0.227 USER MOD Single : A 43 SER OG : rot 180:sc= -1.43 USER MOD Single : A 47 SER OG : rot 105:sc= 1.06 USER MOD Single : A 51 SER OG : rot 54:sc= 1.05 USER MOD Single : A 52 HIS : no HD1:sc= -0.833 X(o=-0.83,f=-1.2) USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= -0.0043 USER MOD Single : A 65 HIS : no HD1:sc= -2.55 K(o=-2.6,f=-3.2!) USER MOD Single : A 77 THR OG1 : rot 58:sc= 1.15 USER MOD Single : A 78 MET CE :methyl 164:sc= -1.62 (180deg=-2.29!) USER MOD Single : A 82 TYR OH : rot -16:sc= -1.4 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0576 USER MOD Single : A 100 THR OG1 : rot -122:sc= -0.724 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 -4.210 15.162 8.673 1.00 35.11 N ATOM 21 CA ALA A 2 -5.479 14.470 8.872 1.00 35.11 C ATOM 22 C ALA A 2 -5.684 13.368 7.849 1.00 35.11 C ATOM 23 O ALA A 2 -6.188 12.296 8.178 1.00 35.11 O ATOM 24 CB ALA A 2 -6.635 15.459 8.832 1.00 35.11 C ATOM 0 HA ALA A 2 -5.450 14.002 9.856 1.00 35.11 H new ATOM 0 HB1 ALA A 2 -7.574 14.927 8.982 1.00 35.11 H new ATOM 0 HB2 ALA A 2 -6.508 16.200 9.621 1.00 35.11 H new ATOM 0 HB3 ALA A 2 -6.652 15.960 7.864 1.00 35.11 H new ATOM 30 N GLU A 3 -5.270 13.619 6.611 1.00 71.76 N ATOM 31 CA GLU A 3 -5.394 12.618 5.561 1.00 71.76 C ATOM 32 C GLU A 3 -4.585 11.395 5.947 1.00 71.76 C ATOM 33 O GLU A 3 -5.035 10.260 5.793 1.00 71.76 O ATOM 34 CB GLU A 3 -4.906 13.193 4.238 1.00 71.76 C ATOM 35 CG GLU A 3 -5.732 14.370 3.776 1.00 71.76 C ATOM 36 CD GLU A 3 -7.106 13.964 3.273 1.00 71.76 C ATOM 37 OE1 GLU A 3 -7.337 12.751 3.078 1.00 71.76 O ATOM 38 OE2 GLU A 3 -7.952 14.861 3.068 1.00 71.76 O ATOM 0 H GLU A 3 -4.850 14.499 6.313 1.00 71.76 H new ATOM 0 HA GLU A 3 -6.439 12.330 5.442 1.00 71.76 H new ATOM 0 HB2 GLU A 3 -3.866 13.502 4.342 1.00 71.76 H new ATOM 0 HB3 GLU A 3 -4.932 12.414 3.476 1.00 71.76 H new ATOM 0 HG2 GLU A 3 -5.845 15.074 4.600 1.00 71.76 H new ATOM 0 HG3 GLU A 3 -5.199 14.892 2.982 1.00 71.76 H new ATOM 45 N TYR A 4 -3.391 11.646 6.472 1.00112.05 N ATOM 46 CA TYR A 4 -2.520 10.575 6.909 1.00112.05 C ATOM 47 C TYR A 4 -3.177 9.793 8.040 1.00112.05 C ATOM 48 O TYR A 4 -3.158 8.563 8.044 1.00112.05 O ATOM 49 CB TYR A 4 -1.163 11.115 7.352 1.00112.05 C ATOM 50 CG TYR A 4 -0.175 10.028 7.675 1.00112.05 C ATOM 51 CD1 TYR A 4 0.263 9.146 6.694 1.00112.05 C ATOM 52 CD2 TYR A 4 0.318 9.883 8.958 1.00112.05 C ATOM 53 CE1 TYR A 4 1.166 8.144 6.990 1.00112.05 C ATOM 54 CE2 TYR A 4 1.219 8.890 9.260 1.00112.05 C ATOM 55 CZ TYR A 4 1.641 8.020 8.275 1.00112.05 C ATOM 56 OH TYR A 4 2.540 7.025 8.576 1.00112.05 O ATOM 0 H TYR A 4 -3.009 12.583 6.603 1.00112.05 H new ATOM 0 HA TYR A 4 -2.354 9.905 6.065 1.00112.05 H new ATOM 0 HB2 TYR A 4 -0.755 11.747 6.563 1.00112.05 H new ATOM 0 HB3 TYR A 4 -1.299 11.748 8.229 1.00112.05 H new ATOM 0 HD1 TYR A 4 -0.109 9.246 5.685 1.00112.05 H new ATOM 0 HD2 TYR A 4 -0.009 10.559 9.734 1.00112.05 H new ATOM 0 HE1 TYR A 4 1.496 7.464 6.219 1.00112.05 H new ATOM 0 HE2 TYR A 4 1.596 8.791 10.267 1.00112.05 H new ATOM 0 HH TYR A 4 3.402 7.225 8.156 1.00112.05 H new ATOM 66 N GLY A 5 -3.786 10.513 8.993 1.00 23.54 N ATOM 67 CA GLY A 5 -4.460 9.846 10.094 1.00 23.54 C ATOM 68 C GLY A 5 -5.556 8.935 9.584 1.00 23.54 C ATOM 69 O GLY A 5 -5.696 7.795 10.026 1.00 23.54 O ATOM 0 H GLY A 5 -3.821 11.532 9.017 1.00 23.54 H new ATOM 0 HA2 GLY A 5 -3.738 9.266 10.670 1.00 23.54 H new ATOM 0 HA3 GLY A 5 -4.884 10.589 10.770 1.00 23.54 H new ATOM 73 N THR A 6 -6.309 9.446 8.619 1.00 90.84 N ATOM 74 CA THR A 6 -7.377 8.703 7.993 1.00 90.84 C ATOM 75 C THR A 6 -6.805 7.577 7.148 1.00 90.84 C ATOM 76 O THR A 6 -7.343 6.476 7.129 1.00 90.84 O ATOM 77 CB THR A 6 -8.242 9.648 7.139 1.00 90.84 C ATOM 78 OG1 THR A 6 -8.802 10.676 7.967 1.00 90.84 O ATOM 79 CG2 THR A 6 -9.355 8.903 6.436 1.00 90.84 C ATOM 0 H THR A 6 -6.190 10.390 8.252 1.00 90.84 H new ATOM 0 HA THR A 6 -8.008 8.262 8.764 1.00 90.84 H new ATOM 0 HB THR A 6 -7.599 10.091 6.379 1.00 90.84 H new ATOM 0 HG1 THR A 6 -8.108 11.332 8.188 1.00 90.84 H new ATOM 0 HG21 THR A 6 -9.944 9.603 5.843 1.00 90.84 H new ATOM 0 HG22 THR A 6 -8.928 8.143 5.781 1.00 90.84 H new ATOM 0 HG23 THR A 6 -9.997 8.425 7.176 1.00 90.84 H new ATOM 87 N LEU A 7 -5.695 7.849 6.470 1.00 63.89 N ATOM 88 CA LEU A 7 -5.037 6.834 5.651 1.00 63.89 C ATOM 89 C LEU A 7 -4.761 5.594 6.492 1.00 63.89 C ATOM 90 O LEU A 7 -5.221 4.494 6.185 1.00 63.89 O ATOM 91 CB LEU A 7 -3.720 7.381 5.085 1.00 63.89 C ATOM 92 CG LEU A 7 -2.750 6.320 4.551 1.00 63.89 C ATOM 93 CD1 LEU A 7 -3.403 5.500 3.455 1.00 63.89 C ATOM 94 CD2 LEU A 7 -1.449 6.951 4.084 1.00 63.89 C ATOM 0 H LEU A 7 -5.233 8.758 6.470 1.00 63.89 H new ATOM 0 HA LEU A 7 -5.694 6.569 4.822 1.00 63.89 H new ATOM 0 HB2 LEU A 7 -3.951 8.078 4.279 1.00 63.89 H new ATOM 0 HB3 LEU A 7 -3.216 7.951 5.866 1.00 63.89 H new ATOM 0 HG LEU A 7 -2.502 5.642 5.367 1.00 63.89 H new ATOM 0 HD11 LEU A 7 -2.698 4.753 3.090 1.00 63.89 H new ATOM 0 HD12 LEU A 7 -4.287 5.001 3.852 1.00 63.89 H new ATOM 0 HD13 LEU A 7 -3.694 6.156 2.634 1.00 63.89 H new ATOM 0 HD21 LEU A 7 -0.781 6.174 3.711 1.00 63.89 H new ATOM 0 HD22 LEU A 7 -1.656 7.665 3.287 1.00 63.89 H new ATOM 0 HD23 LEU A 7 -0.975 7.467 4.919 1.00 63.89 H new ATOM 106 N LEU A 8 -4.020 5.804 7.569 1.00 67.93 N ATOM 107 CA LEU A 8 -3.685 4.736 8.488 1.00 67.93 C ATOM 108 C LEU A 8 -4.956 4.124 9.059 1.00 67.93 C ATOM 109 O LEU A 8 -5.056 2.914 9.212 1.00 67.93 O ATOM 110 CB LEU A 8 -2.794 5.276 9.608 1.00 67.93 C ATOM 111 CG LEU A 8 -1.280 5.252 9.333 1.00 67.93 C ATOM 112 CD1 LEU A 8 -0.953 5.728 7.924 1.00 67.93 C ATOM 113 CD2 LEU A 8 -0.547 6.107 10.355 1.00 67.93 C ATOM 0 H LEU A 8 -3.638 6.714 7.826 1.00 67.93 H new ATOM 0 HA LEU A 8 -3.138 3.959 7.954 1.00 67.93 H new ATOM 0 HB2 LEU A 8 -3.089 6.304 9.817 1.00 67.93 H new ATOM 0 HB3 LEU A 8 -2.989 4.698 10.511 1.00 67.93 H new ATOM 0 HG LEU A 8 -0.947 4.218 9.420 1.00 67.93 H new ATOM 0 HD11 LEU A 8 0.126 5.696 7.770 1.00 67.93 H new ATOM 0 HD12 LEU A 8 -1.443 5.079 7.198 1.00 67.93 H new ATOM 0 HD13 LEU A 8 -1.308 6.750 7.794 1.00 67.93 H new ATOM 0 HD21 LEU A 8 0.523 6.082 10.150 1.00 67.93 H new ATOM 0 HD22 LEU A 8 -0.904 7.135 10.293 1.00 67.93 H new ATOM 0 HD23 LEU A 8 -0.734 5.718 11.356 1.00 67.93 H new ATOM 125 N GLN A 9 -5.940 4.973 9.332 1.00 42.21 N ATOM 126 CA GLN A 9 -7.219 4.523 9.851 1.00 42.21 C ATOM 127 C GLN A 9 -7.899 3.623 8.822 1.00 42.21 C ATOM 128 O GLN A 9 -8.478 2.594 9.166 1.00 42.21 O ATOM 129 CB GLN A 9 -8.050 5.779 10.181 1.00 42.21 C ATOM 130 CG GLN A 9 -9.559 5.615 10.153 1.00 42.21 C ATOM 131 CD GLN A 9 -10.215 5.958 11.474 1.00 42.21 C ATOM 132 OE1 GLN A 9 -10.591 7.104 11.717 1.00 42.21 O ATOM 133 NE2 GLN A 9 -10.350 4.961 12.340 1.00 42.21 N ATOM 0 H GLN A 9 -5.872 5.982 9.200 1.00 42.21 H new ATOM 0 HA GLN A 9 -7.104 3.929 10.758 1.00 42.21 H new ATOM 0 HB2 GLN A 9 -7.762 6.128 11.173 1.00 42.21 H new ATOM 0 HB3 GLN A 9 -7.778 6.564 9.475 1.00 42.21 H new ATOM 0 HG2 GLN A 9 -9.974 6.251 9.371 1.00 42.21 H new ATOM 0 HG3 GLN A 9 -9.802 4.586 9.889 1.00 42.21 H new ATOM 0 HE21 GLN A 9 -10.024 4.026 12.096 1.00 42.21 H new ATOM 0 HE22 GLN A 9 -10.780 5.130 13.249 1.00 42.21 H new ATOM 142 N ASP A 10 -7.824 4.022 7.562 1.00 76.39 N ATOM 143 CA ASP A 10 -8.434 3.252 6.487 1.00 76.39 C ATOM 144 C ASP A 10 -7.821 1.863 6.373 1.00 76.39 C ATOM 145 O ASP A 10 -8.551 0.871 6.367 1.00 76.39 O ATOM 146 CB ASP A 10 -8.315 3.998 5.160 1.00 76.39 C ATOM 147 CG ASP A 10 -9.086 5.305 5.162 1.00 76.39 C ATOM 148 OD1 ASP A 10 -9.946 5.486 6.050 1.00 76.39 O ATOM 149 OD2 ASP A 10 -8.829 6.145 4.274 1.00 76.39 O ATOM 0 H ASP A 10 -7.349 4.872 7.258 1.00 76.39 H new ATOM 0 HA ASP A 10 -9.490 3.129 6.728 1.00 76.39 H new ATOM 0 HB2 ASP A 10 -7.264 4.199 4.952 1.00 76.39 H new ATOM 0 HB3 ASP A 10 -8.683 3.363 4.354 1.00 76.39 H new ATOM 154 N LEU A 11 -6.488 1.765 6.323 1.00140.58 N ATOM 155 CA LEU A 11 -5.861 0.455 6.261 1.00140.58 C ATOM 156 C LEU A 11 -6.125 -0.266 7.566 1.00140.58 C ATOM 157 O LEU A 11 -6.341 -1.472 7.574 1.00140.58 O ATOM 158 CB LEU A 11 -4.375 0.550 5.925 1.00140.58 C ATOM 159 CG LEU A 11 -3.452 0.971 7.058 1.00140.58 C ATOM 160 CD1 LEU A 11 -3.052 -0.240 7.895 1.00140.58 C ATOM 161 CD2 LEU A 11 -2.227 1.670 6.477 1.00140.58 C ATOM 0 H LEU A 11 -5.844 2.556 6.324 1.00140.58 H new ATOM 0 HA LEU A 11 -6.298 -0.124 5.448 1.00140.58 H new ATOM 0 HB2 LEU A 11 -4.045 -0.422 5.558 1.00140.58 H new ATOM 0 HB3 LEU A 11 -4.255 1.258 5.105 1.00140.58 H new ATOM 0 HG LEU A 11 -3.973 1.668 7.715 1.00140.58 H new ATOM 0 HD11 LEU A 11 -2.391 0.077 8.702 1.00140.58 H new ATOM 0 HD12 LEU A 11 -3.945 -0.701 8.317 1.00140.58 H new ATOM 0 HD13 LEU A 11 -2.534 -0.963 7.265 1.00140.58 H new ATOM 0 HD21 LEU A 11 -1.563 1.973 7.287 1.00140.58 H new ATOM 0 HD22 LEU A 11 -1.699 0.986 5.812 1.00140.58 H new ATOM 0 HD23 LEU A 11 -2.542 2.551 5.917 1.00140.58 H new ATOM 173 N THR A 12 -6.185 0.499 8.666 1.00103.83 N ATOM 174 CA THR A 12 -6.510 -0.066 9.958 1.00103.83 C ATOM 175 C THR A 12 -7.918 -0.654 9.892 1.00103.83 C ATOM 176 O THR A 12 -8.191 -1.717 10.440 1.00103.83 O ATOM 177 CB THR A 12 -6.432 0.977 11.087 1.00103.83 C ATOM 178 OG1 THR A 12 -5.117 1.526 11.174 1.00103.83 O ATOM 179 CG2 THR A 12 -6.776 0.341 12.407 1.00103.83 C ATOM 0 H THR A 12 -6.012 1.504 8.674 1.00103.83 H new ATOM 0 HA THR A 12 -5.777 -0.840 10.187 1.00103.83 H new ATOM 0 HB THR A 12 -7.144 1.771 10.860 1.00103.83 H new ATOM 0 HG1 THR A 12 -5.106 2.416 10.763 1.00103.83 H new ATOM 0 HG21 THR A 12 -6.717 1.089 13.198 1.00103.83 H new ATOM 0 HG22 THR A 12 -7.788 -0.063 12.364 1.00103.83 H new ATOM 0 HG23 THR A 12 -6.073 -0.465 12.617 1.00103.83 H new ATOM 187 N ASN A 13 -8.799 0.029 9.168 1.00 36.97 N ATOM 188 CA ASN A 13 -10.158 -0.457 8.979 1.00 36.97 C ATOM 189 C ASN A 13 -10.116 -1.762 8.187 1.00 36.97 C ATOM 190 O ASN A 13 -10.947 -2.650 8.380 1.00 36.97 O ATOM 191 CB ASN A 13 -11.022 0.578 8.252 1.00 36.97 C ATOM 192 CG ASN A 13 -11.191 1.855 9.051 1.00 36.97 C ATOM 193 OD1 ASN A 13 -10.801 1.927 10.216 1.00 36.97 O ATOM 194 ND2 ASN A 13 -11.782 2.869 8.431 1.00 36.97 N ATOM 0 H ASN A 13 -8.596 0.915 8.706 1.00 36.97 H new ATOM 0 HA ASN A 13 -10.607 -0.632 9.956 1.00 36.97 H new ATOM 0 HB2 ASN A 13 -10.569 0.813 7.289 1.00 36.97 H new ATOM 0 HB3 ASN A 13 -12.003 0.149 8.047 1.00 36.97 H new ATOM 0 HD21 ASN A 13 -11.928 3.751 8.922 1.00 36.97 H new ATOM 0 HD22 ASN A 13 -12.090 2.766 7.464 1.00 36.97 H new ATOM 201 N ASN A 14 -9.109 -1.876 7.314 1.00 84.59 N ATOM 202 CA ASN A 14 -8.914 -3.077 6.511 1.00 84.59 C ATOM 203 C ASN A 14 -7.915 -4.023 7.182 1.00 84.59 C ATOM 204 O ASN A 14 -7.571 -5.068 6.632 1.00 84.59 O ATOM 205 CB ASN A 14 -8.413 -2.699 5.116 1.00 84.59 C ATOM 206 CG ASN A 14 -9.422 -1.870 4.350 1.00 84.59 C ATOM 207 OD1 ASN A 14 -9.087 -0.612 4.100 1.00 84.59 O flip ATOM 208 ND2 ASN A 14 -10.494 -2.356 3.988 1.00 84.59 N flip ATOM 0 H ASN A 14 -8.417 -1.145 7.149 1.00 84.59 H new ATOM 0 HA ASN A 14 -9.872 -3.590 6.424 1.00 84.59 H new ATOM 0 HB2 ASN A 14 -7.481 -2.141 5.206 1.00 84.59 H new ATOM 0 HB3 ASN A 14 -8.189 -3.606 4.554 1.00 84.59 H new ATOM 0 HD21 ASN A 14 -10.711 -3.329 4.202 1.00 84.59 H new ATOM 0 HD22 ASN A 14 -11.165 -1.785 3.474 1.00 84.59 H new ATOM 215 N ILE A 15 -7.434 -3.634 8.365 1.00120.44 N ATOM 216 CA ILE A 15 -6.469 -4.412 9.098 1.00120.44 C ATOM 217 C ILE A 15 -7.135 -5.385 10.074 1.00120.44 C ATOM 218 O ILE A 15 -7.790 -4.983 11.035 1.00120.44 O ATOM 219 CB ILE A 15 -5.471 -3.445 9.811 1.00120.44 C ATOM 220 CG1 ILE A 15 -4.063 -3.953 9.675 1.00120.44 C ATOM 221 CG2 ILE A 15 -5.773 -3.177 11.282 1.00120.44 C ATOM 222 CD1 ILE A 15 -3.865 -5.325 10.271 1.00120.44 C ATOM 0 H ILE A 15 -7.711 -2.769 8.830 1.00120.44 H new ATOM 0 HA ILE A 15 -5.913 -5.037 8.400 1.00120.44 H new ATOM 0 HB ILE A 15 -5.593 -2.490 9.301 1.00120.44 H new ATOM 0 HG12 ILE A 15 -3.794 -3.981 8.619 1.00120.44 H new ATOM 0 HG13 ILE A 15 -3.383 -3.252 10.159 1.00120.44 H new ATOM 0 HG21 ILE A 15 -5.026 -2.495 11.689 1.00120.44 H new ATOM 0 HG22 ILE A 15 -6.762 -2.728 11.374 1.00120.44 H new ATOM 0 HG23 ILE A 15 -5.747 -4.116 11.836 1.00120.44 H new ATOM 0 HD11 ILE A 15 -2.828 -5.633 10.139 1.00120.44 H new ATOM 0 HD12 ILE A 15 -4.103 -5.298 11.334 1.00120.44 H new ATOM 0 HD13 ILE A 15 -4.521 -6.037 9.771 1.00120.44 H new ATOM 234 N THR A 16 -6.943 -6.670 9.829 1.00158.94 N ATOM 235 CA THR A 16 -7.491 -7.685 10.698 1.00158.94 C ATOM 236 C THR A 16 -6.512 -7.986 11.797 1.00158.94 C ATOM 237 O THR A 16 -5.307 -7.783 11.635 1.00158.94 O ATOM 238 CB THR A 16 -7.770 -8.997 9.959 1.00158.94 C ATOM 239 OG1 THR A 16 -6.547 -9.548 9.455 1.00158.94 O ATOM 240 CG2 THR A 16 -8.744 -8.780 8.830 1.00158.94 C ATOM 0 H THR A 16 -6.412 -7.030 9.036 1.00158.94 H new ATOM 0 HA THR A 16 -8.430 -7.293 11.088 1.00158.94 H new ATOM 0 HB THR A 16 -8.214 -9.700 10.664 1.00158.94 H new ATOM 0 HG1 THR A 16 -6.735 -10.387 8.985 1.00158.94 H new ATOM 0 HG21 THR A 16 -8.926 -9.726 8.320 1.00158.94 H new ATOM 0 HG22 THR A 16 -9.683 -8.395 9.228 1.00158.94 H new ATOM 0 HG23 THR A 16 -8.328 -8.061 8.124 1.00158.94 H new ATOM 248 N LEU A 17 -7.010 -8.505 12.902 1.00 50.69 N ATOM 249 CA LEU A 17 -6.130 -8.869 13.999 1.00 50.69 C ATOM 250 C LEU A 17 -5.136 -9.918 13.513 1.00 50.69 C ATOM 251 O LEU A 17 -3.970 -9.922 13.910 1.00 50.69 O ATOM 252 CB LEU A 17 -6.911 -9.384 15.207 1.00 50.69 C ATOM 253 CG LEU A 17 -6.051 -9.668 16.439 1.00 50.69 C ATOM 254 CD1 LEU A 17 -5.205 -8.448 16.793 1.00 50.69 C ATOM 255 CD2 LEU A 17 -6.928 -10.079 17.614 1.00 50.69 C ATOM 0 H LEU A 17 -8.001 -8.683 13.065 1.00 50.69 H new ATOM 0 HA LEU A 17 -5.595 -7.977 14.325 1.00 50.69 H new ATOM 0 HB2 LEU A 17 -7.673 -8.651 15.472 1.00 50.69 H new ATOM 0 HB3 LEU A 17 -7.433 -10.298 14.924 1.00 50.69 H new ATOM 0 HG LEU A 17 -5.377 -10.493 16.211 1.00 50.69 H new ATOM 0 HD11 LEU A 17 -4.599 -8.668 17.672 1.00 50.69 H new ATOM 0 HD12 LEU A 17 -4.553 -8.202 15.955 1.00 50.69 H new ATOM 0 HD13 LEU A 17 -5.858 -7.601 17.005 1.00 50.69 H new ATOM 0 HD21 LEU A 17 -6.302 -10.278 18.484 1.00 50.69 H new ATOM 0 HD22 LEU A 17 -7.626 -9.275 17.846 1.00 50.69 H new ATOM 0 HD23 LEU A 17 -7.485 -10.979 17.355 1.00 50.69 H new ATOM 267 N GLU A 18 -5.608 -10.786 12.617 1.00107.93 N ATOM 268 CA GLU A 18 -4.760 -11.815 12.039 1.00107.93 C ATOM 269 C GLU A 18 -3.718 -11.170 11.140 1.00107.93 C ATOM 270 O GLU A 18 -2.530 -11.486 11.213 1.00107.93 O ATOM 271 CB GLU A 18 -5.598 -12.809 11.229 1.00107.93 C ATOM 272 CG GLU A 18 -6.567 -13.624 12.070 1.00107.93 C ATOM 273 CD GLU A 18 -7.317 -14.669 11.261 1.00107.93 C ATOM 274 OE1 GLU A 18 -7.213 -14.650 10.015 1.00107.93 O ATOM 275 OE2 GLU A 18 -8.008 -15.509 11.875 1.00107.93 O ATOM 0 H GLU A 18 -6.571 -10.793 12.280 1.00107.93 H new ATOM 0 HA GLU A 18 -4.263 -12.355 12.845 1.00107.93 H new ATOM 0 HB2 GLU A 18 -6.160 -12.263 10.471 1.00107.93 H new ATOM 0 HB3 GLU A 18 -4.929 -13.489 10.702 1.00107.93 H new ATOM 0 HG2 GLU A 18 -6.018 -14.118 12.872 1.00107.93 H new ATOM 0 HG3 GLU A 18 -7.285 -12.953 12.541 1.00107.93 H new ATOM 282 N ASP A 19 -4.178 -10.243 10.301 1.00 35.40 N ATOM 283 CA ASP A 19 -3.294 -9.527 9.395 1.00 35.40 C ATOM 284 C ASP A 19 -2.231 -8.765 10.171 1.00 35.40 C ATOM 285 O ASP A 19 -1.071 -8.717 9.766 1.00 35.40 O ATOM 286 CB ASP A 19 -4.088 -8.566 8.508 1.00 35.40 C ATOM 287 CG ASP A 19 -4.810 -9.270 7.374 1.00 35.40 C ATOM 288 OD1 ASP A 19 -4.606 -10.491 7.204 1.00 35.40 O ATOM 289 OD2 ASP A 19 -5.577 -8.598 6.653 1.00 35.40 O ATOM 0 H ASP A 19 -5.159 -9.973 10.233 1.00 35.40 H new ATOM 0 HA ASP A 19 -2.801 -10.261 8.757 1.00 35.40 H new ATOM 0 HB2 ASP A 19 -4.816 -8.032 9.119 1.00 35.40 H new ATOM 0 HB3 ASP A 19 -3.411 -7.819 8.093 1.00 35.40 H new ATOM 294 N LEU A 20 -2.630 -8.164 11.293 1.00 45.47 N ATOM 295 CA LEU A 20 -1.690 -7.409 12.110 1.00 45.47 C ATOM 296 C LEU A 20 -0.540 -8.282 12.562 1.00 45.47 C ATOM 297 O LEU A 20 0.611 -7.880 12.477 1.00 45.47 O ATOM 298 CB LEU A 20 -2.370 -6.779 13.327 1.00 45.47 C ATOM 299 CG LEU A 20 -2.464 -5.254 13.303 1.00 45.47 C ATOM 300 CD1 LEU A 20 -2.965 -4.738 14.644 1.00 45.47 C ATOM 301 CD2 LEU A 20 -1.122 -4.609 12.932 1.00 45.47 C ATOM 0 H LEU A 20 -3.585 -8.186 11.650 1.00 45.47 H new ATOM 0 HA LEU A 20 -1.302 -6.606 11.483 1.00 45.47 H new ATOM 0 HB2 LEU A 20 -3.377 -7.188 13.413 1.00 45.47 H new ATOM 0 HB3 LEU A 20 -1.827 -7.079 14.223 1.00 45.47 H new ATOM 0 HG LEU A 20 -3.180 -4.973 12.530 1.00 45.47 H new ATOM 0 HD11 LEU A 20 -3.028 -3.650 14.615 1.00 45.47 H new ATOM 0 HD12 LEU A 20 -3.952 -5.153 14.848 1.00 45.47 H new ATOM 0 HD13 LEU A 20 -2.274 -5.041 15.431 1.00 45.47 H new ATOM 0 HD21 LEU A 20 -1.229 -3.524 12.925 1.00 45.47 H new ATOM 0 HD22 LEU A 20 -0.366 -4.895 13.664 1.00 45.47 H new ATOM 0 HD23 LEU A 20 -0.816 -4.949 11.943 1.00 45.47 H new ATOM 313 N GLU A 21 -0.849 -9.486 13.025 1.00 91.26 N ATOM 314 CA GLU A 21 0.198 -10.398 13.465 1.00 91.26 C ATOM 315 C GLU A 21 1.160 -10.680 12.323 1.00 91.26 C ATOM 316 O GLU A 21 2.337 -10.961 12.547 1.00 91.26 O ATOM 317 CB GLU A 21 -0.375 -11.706 13.991 1.00 91.26 C ATOM 318 CG GLU A 21 -1.250 -11.543 15.223 1.00 91.26 C ATOM 319 CD GLU A 21 -1.759 -12.869 15.761 1.00 91.26 C ATOM 320 OE1 GLU A 21 -1.593 -13.896 15.071 1.00 91.26 O ATOM 321 OE2 GLU A 21 -2.323 -12.877 16.875 1.00 91.26 O ATOM 0 H GLU A 21 -1.799 -9.849 13.105 1.00 91.26 H new ATOM 0 HA GLU A 21 0.732 -9.914 14.283 1.00 91.26 H new ATOM 0 HB2 GLU A 21 -0.960 -12.179 13.202 1.00 91.26 H new ATOM 0 HB3 GLU A 21 0.446 -12.382 14.228 1.00 91.26 H new ATOM 0 HG2 GLU A 21 -0.682 -11.034 16.002 1.00 91.26 H new ATOM 0 HG3 GLU A 21 -2.099 -10.905 14.978 1.00 91.26 H new ATOM 328 N GLN A 22 0.664 -10.570 11.094 1.00 87.96 N ATOM 329 CA GLN A 22 1.504 -10.782 9.932 1.00 87.96 C ATOM 330 C GLN A 22 2.426 -9.591 9.785 1.00 87.96 C ATOM 331 O GLN A 22 3.637 -9.739 9.612 1.00 87.96 O ATOM 332 CB GLN A 22 0.664 -10.979 8.675 1.00 87.96 C ATOM 333 CG GLN A 22 1.493 -11.357 7.463 1.00 87.96 C ATOM 334 CD GLN A 22 0.635 -11.737 6.273 1.00 87.96 C ATOM 335 OE1 GLN A 22 0.364 -12.916 6.038 1.00 87.96 O ATOM 336 NE2 GLN A 22 0.185 -10.739 5.522 1.00 87.96 N ATOM 0 H GLN A 22 -0.307 -10.337 10.884 1.00 87.96 H new ATOM 0 HA GLN A 22 2.092 -11.690 10.067 1.00 87.96 H new ATOM 0 HB2 GLN A 22 -0.078 -11.757 8.858 1.00 87.96 H new ATOM 0 HB3 GLN A 22 0.117 -10.061 8.462 1.00 87.96 H new ATOM 0 HG2 GLN A 22 2.137 -10.521 7.191 1.00 87.96 H new ATOM 0 HG3 GLN A 22 2.146 -12.192 7.718 1.00 87.96 H new ATOM 0 HE21 GLN A 22 0.433 -9.776 5.751 1.00 87.96 H new ATOM 0 HE22 GLN A 22 -0.409 -10.935 4.716 1.00 87.96 H new ATOM 345 N LEU A 23 1.848 -8.398 9.920 1.00 99.30 N ATOM 346 CA LEU A 23 2.616 -7.169 9.872 1.00 99.30 C ATOM 347 C LEU A 23 3.612 -7.198 11.022 1.00 99.30 C ATOM 348 O LEU A 23 4.804 -6.994 10.842 1.00 99.30 O ATOM 349 CB LEU A 23 1.685 -5.959 10.041 1.00 99.30 C ATOM 350 CG LEU A 23 0.501 -5.889 9.074 1.00 99.30 C ATOM 351 CD1 LEU A 23 -0.332 -4.635 9.331 1.00 99.30 C ATOM 352 CD2 LEU A 23 0.980 -5.927 7.628 1.00 99.30 C ATOM 0 H LEU A 23 0.847 -8.264 10.064 1.00 99.30 H new ATOM 0 HA LEU A 23 3.129 -7.085 8.914 1.00 99.30 H new ATOM 0 HB2 LEU A 23 1.298 -5.962 11.060 1.00 99.30 H new ATOM 0 HB3 LEU A 23 2.277 -5.051 9.927 1.00 99.30 H new ATOM 0 HG LEU A 23 -0.130 -6.761 9.247 1.00 99.30 H new ATOM 0 HD11 LEU A 23 -1.169 -4.605 8.633 1.00 99.30 H new ATOM 0 HD12 LEU A 23 -0.712 -4.654 10.352 1.00 99.30 H new ATOM 0 HD13 LEU A 23 0.289 -3.750 9.191 1.00 99.30 H new ATOM 0 HD21 LEU A 23 0.121 -5.876 6.959 1.00 99.30 H new ATOM 0 HD22 LEU A 23 1.637 -5.078 7.440 1.00 99.30 H new ATOM 0 HD23 LEU A 23 1.525 -6.854 7.449 1.00 99.30 H new ATOM 364 N LYS A 24 3.077 -7.506 12.201 1.00114.71 N ATOM 365 CA LYS A 24 3.856 -7.607 13.432 1.00114.71 C ATOM 366 C LYS A 24 4.970 -8.634 13.286 1.00114.71 C ATOM 367 O LYS A 24 6.095 -8.408 13.727 1.00114.71 O ATOM 368 CB LYS A 24 2.931 -7.995 14.593 1.00114.71 C ATOM 369 CG LYS A 24 1.894 -6.927 14.914 1.00114.71 C ATOM 370 CD LYS A 24 0.743 -7.482 15.737 1.00114.71 C ATOM 371 CE LYS A 24 1.189 -7.871 17.132 1.00114.71 C ATOM 372 NZ LYS A 24 1.634 -9.291 17.205 1.00114.71 N ATOM 0 H LYS A 24 2.083 -7.694 12.330 1.00114.71 H new ATOM 0 HA LYS A 24 4.312 -6.639 13.638 1.00114.71 H new ATOM 0 HB2 LYS A 24 2.421 -8.926 14.347 1.00114.71 H new ATOM 0 HB3 LYS A 24 3.533 -8.186 15.481 1.00114.71 H new ATOM 0 HG2 LYS A 24 2.370 -6.112 15.459 1.00114.71 H new ATOM 0 HG3 LYS A 24 1.507 -6.507 13.986 1.00114.71 H new ATOM 0 HD2 LYS A 24 -0.050 -6.737 15.803 1.00114.71 H new ATOM 0 HD3 LYS A 24 0.322 -8.352 15.234 1.00114.71 H new ATOM 0 HE2 LYS A 24 2.005 -7.220 17.446 1.00114.71 H new ATOM 0 HE3 LYS A 24 0.368 -7.713 17.831 1.00114.71 H new ATOM 0 HZ1 LYS A 24 1.052 -9.802 17.899 1.00114.71 H new ATOM 0 HZ2 LYS A 24 1.530 -9.736 16.271 1.00114.71 H new ATOM 0 HZ3 LYS A 24 2.632 -9.328 17.496 1.00114.71 H new ATOM 386 N SER A 25 4.659 -9.752 12.636 1.00 75.52 N ATOM 387 CA SER A 25 5.647 -10.802 12.398 1.00 75.52 C ATOM 388 C SER A 25 6.752 -10.243 11.522 1.00 75.52 C ATOM 389 O SER A 25 7.937 -10.494 11.741 1.00 75.52 O ATOM 390 CB SER A 25 4.997 -12.019 11.726 1.00 75.52 C ATOM 391 OG SER A 25 4.109 -12.679 12.613 1.00 75.52 O ATOM 0 H SER A 25 3.731 -9.955 12.264 1.00 75.52 H new ATOM 0 HA SER A 25 6.062 -11.131 13.351 1.00 75.52 H new ATOM 0 HB2 SER A 25 4.456 -11.700 10.835 1.00 75.52 H new ATOM 0 HB3 SER A 25 5.771 -12.713 11.398 1.00 75.52 H new ATOM 0 HG SER A 25 3.193 -12.372 12.447 1.00 75.52 H new ATOM 397 N ALA A 26 6.338 -9.438 10.553 1.00 32.46 N ATOM 398 CA ALA A 26 7.261 -8.779 9.657 1.00 32.46 C ATOM 399 C ALA A 26 8.031 -7.724 10.429 1.00 32.46 C ATOM 400 O ALA A 26 9.226 -7.515 10.213 1.00 32.46 O ATOM 401 CB ALA A 26 6.505 -8.160 8.491 1.00 32.46 C ATOM 0 H ALA A 26 5.357 -9.228 10.371 1.00 32.46 H new ATOM 0 HA ALA A 26 7.966 -9.504 9.250 1.00 32.46 H new ATOM 0 HB1 ALA A 26 7.209 -7.666 7.822 1.00 32.46 H new ATOM 0 HB2 ALA A 26 5.974 -8.941 7.946 1.00 32.46 H new ATOM 0 HB3 ALA A 26 5.789 -7.429 8.868 1.00 32.46 H new ATOM 407 N CYS A 27 7.327 -7.071 11.352 1.00 54.89 N ATOM 408 CA CYS A 27 7.935 -6.048 12.185 1.00 54.89 C ATOM 409 C CYS A 27 8.661 -6.661 13.369 1.00 54.89 C ATOM 410 O CYS A 27 9.250 -5.942 14.164 1.00 54.89 O ATOM 411 CB CYS A 27 6.898 -5.067 12.717 1.00 54.89 C ATOM 412 SG CYS A 27 5.769 -4.412 11.478 1.00 54.89 S ATOM 0 H CYS A 27 6.338 -7.235 11.538 1.00 54.89 H new ATOM 0 HA CYS A 27 8.645 -5.518 11.550 1.00 54.89 H new ATOM 0 HB2 CYS A 27 6.315 -5.563 13.493 1.00 54.89 H new ATOM 0 HB3 CYS A 27 7.417 -4.234 13.191 1.00 54.89 H new ATOM 0 HG CYS A 27 4.951 -3.571 12.038 1.00 54.89 H new ATOM 418 N LYS A 28 8.627 -7.988 13.511 1.00157.95 N ATOM 419 CA LYS A 28 9.295 -8.627 14.639 1.00157.95 C ATOM 420 C LYS A 28 10.749 -8.149 14.724 1.00157.95 C ATOM 421 O LYS A 28 11.308 -7.998 15.811 1.00157.95 O ATOM 422 CB LYS A 28 9.182 -10.153 14.518 1.00157.95 C ATOM 423 CG LYS A 28 10.217 -10.795 13.616 1.00157.95 C ATOM 424 CD LYS A 28 11.470 -11.128 14.396 1.00157.95 C ATOM 425 CE LYS A 28 12.140 -12.394 13.879 1.00157.95 C ATOM 426 NZ LYS A 28 12.274 -12.397 12.394 1.00157.95 N ATOM 0 H LYS A 28 8.154 -8.627 12.872 1.00157.95 H new ATOM 0 HA LYS A 28 8.807 -8.341 15.571 1.00157.95 H new ATOM 0 HB2 LYS A 28 9.266 -10.590 15.513 1.00157.95 H new ATOM 0 HB3 LYS A 28 8.189 -10.402 14.143 1.00157.95 H new ATOM 0 HG2 LYS A 28 9.807 -11.702 13.171 1.00157.95 H new ATOM 0 HG3 LYS A 28 10.461 -10.120 12.796 1.00157.95 H new ATOM 0 HD2 LYS A 28 12.170 -10.295 14.332 1.00157.95 H new ATOM 0 HD3 LYS A 28 11.219 -11.254 15.449 1.00157.95 H new ATOM 0 HE2 LYS A 28 13.127 -12.490 14.331 1.00157.95 H new ATOM 0 HE3 LYS A 28 11.560 -13.263 14.191 1.00157.95 H new ATOM 0 HZ1 LYS A 28 11.666 -13.139 11.992 1.00157.95 H new ATOM 0 HZ2 LYS A 28 11.985 -11.472 12.018 1.00157.95 H new ATOM 0 HZ3 LYS A 28 13.264 -12.582 12.135 1.00157.95 H new ATOM 440 N GLU A 29 11.330 -7.872 13.562 1.00243.70 N ATOM 441 CA GLU A 29 12.689 -7.363 13.486 1.00243.70 C ATOM 442 C GLU A 29 12.751 -5.849 13.729 1.00243.70 C ATOM 443 O GLU A 29 13.729 -5.343 14.280 1.00243.70 O ATOM 444 CB GLU A 29 13.308 -7.688 12.124 1.00243.70 C ATOM 445 CG GLU A 29 13.329 -9.172 11.797 1.00243.70 C ATOM 446 CD GLU A 29 14.162 -9.484 10.566 1.00243.70 C ATOM 447 OE1 GLU A 29 14.464 -8.547 9.798 1.00243.70 O ATOM 448 OE2 GLU A 29 14.519 -10.666 10.377 1.00243.70 O ATOM 0 H GLU A 29 10.876 -7.993 12.657 1.00243.70 H new ATOM 0 HA GLU A 29 13.258 -7.855 14.274 1.00243.70 H new ATOM 0 HB2 GLU A 29 12.751 -7.163 11.348 1.00243.70 H new ATOM 0 HB3 GLU A 29 14.328 -7.306 12.099 1.00243.70 H new ATOM 0 HG2 GLU A 29 13.726 -9.723 12.650 1.00243.70 H new ATOM 0 HG3 GLU A 29 12.308 -9.521 11.639 1.00243.70 H new ATOM 455 N ASP A 30 11.728 -5.120 13.262 1.00108.85 N ATOM 456 CA ASP A 30 11.708 -3.657 13.384 1.00108.85 C ATOM 457 C ASP A 30 11.049 -3.142 14.666 1.00108.85 C ATOM 458 O ASP A 30 11.578 -2.244 15.320 1.00108.85 O ATOM 459 CB ASP A 30 11.005 -3.045 12.166 1.00108.85 C ATOM 460 CG ASP A 30 11.767 -3.280 10.876 1.00108.85 C ATOM 461 OD1 ASP A 30 12.945 -3.691 10.945 1.00108.85 O ATOM 462 OD2 ASP A 30 11.187 -3.049 9.794 1.00108.85 O ATOM 0 H ASP A 30 10.910 -5.516 12.800 1.00108.85 H new ATOM 0 HA ASP A 30 12.752 -3.346 13.431 1.00108.85 H new ATOM 0 HB2 ASP A 30 10.005 -3.470 12.076 1.00108.85 H new ATOM 0 HB3 ASP A 30 10.883 -1.973 12.322 1.00108.85 H new ATOM 467 N ILE A 31 9.888 -3.681 15.008 1.00355.97 N ATOM 468 CA ILE A 31 9.161 -3.239 16.187 1.00355.97 C ATOM 469 C ILE A 31 9.338 -4.215 17.355 1.00355.97 C ATOM 470 O ILE A 31 9.293 -5.429 17.161 1.00355.97 O ATOM 471 CB ILE A 31 7.668 -3.028 15.847 1.00355.97 C ATOM 472 CG1 ILE A 31 7.015 -2.083 16.857 1.00355.97 C ATOM 473 CG2 ILE A 31 6.902 -4.341 15.716 1.00355.97 C ATOM 474 CD1 ILE A 31 6.493 -2.740 18.115 1.00355.97 C ATOM 0 H ILE A 31 9.429 -4.426 14.484 1.00355.97 H new ATOM 0 HA ILE A 31 9.577 -2.283 16.506 1.00355.97 H new ATOM 0 HB ILE A 31 7.622 -2.559 14.864 1.00355.97 H new ATOM 0 HG12 ILE A 31 7.742 -1.322 17.140 1.00355.97 H new ATOM 0 HG13 ILE A 31 6.189 -1.568 16.366 1.00355.97 H new ATOM 0 HG21 ILE A 31 5.859 -4.132 15.477 1.00355.97 H new ATOM 0 HG22 ILE A 31 7.343 -4.942 14.921 1.00355.97 H new ATOM 0 HG23 ILE A 31 6.955 -4.889 16.657 1.00355.97 H new ATOM 0 HD11 ILE A 31 6.050 -1.984 18.763 1.00355.97 H new ATOM 0 HD12 ILE A 31 5.737 -3.480 17.852 1.00355.97 H new ATOM 0 HD13 ILE A 31 7.315 -3.230 18.637 1.00355.97 H new ATOM 486 N PRO A 32 9.577 -3.701 18.581 1.00153.08 N ATOM 487 CA PRO A 32 9.797 -4.549 19.756 1.00153.08 C ATOM 488 C PRO A 32 8.666 -5.537 20.024 1.00153.08 C ATOM 489 O PRO A 32 7.487 -5.194 19.932 1.00153.08 O ATOM 490 CB PRO A 32 9.911 -3.552 20.911 1.00153.08 C ATOM 491 CG PRO A 32 10.338 -2.279 20.273 1.00153.08 C ATOM 492 CD PRO A 32 9.689 -2.266 18.921 1.00153.08 C ATOM 0 HA PRO A 32 10.677 -5.177 19.617 1.00153.08 H new ATOM 0 HB2 PRO A 32 8.959 -3.435 21.428 1.00153.08 H new ATOM 0 HB3 PRO A 32 10.637 -3.886 21.652 1.00153.08 H new ATOM 0 HG2 PRO A 32 10.025 -1.420 20.866 1.00153.08 H new ATOM 0 HG3 PRO A 32 11.423 -2.229 20.187 1.00153.08 H new ATOM 0 HD2 PRO A 32 8.713 -1.782 18.949 1.00153.08 H new ATOM 0 HD3 PRO A 32 10.292 -1.726 18.191 1.00153.08 H new ATOM 500 N SER A 33 9.044 -6.764 20.376 1.00 84.70 N ATOM 501 CA SER A 33 8.078 -7.811 20.683 1.00 84.70 C ATOM 502 C SER A 33 7.248 -7.430 21.905 1.00 84.70 C ATOM 503 O SER A 33 6.068 -7.763 21.996 1.00 84.70 O ATOM 504 CB SER A 33 8.792 -9.142 20.926 1.00 84.70 C ATOM 505 OG SER A 33 7.864 -10.172 21.217 1.00 84.70 O ATOM 0 H SER A 33 10.018 -7.056 20.455 1.00 84.70 H new ATOM 0 HA SER A 33 7.410 -7.923 19.829 1.00 84.70 H new ATOM 0 HB2 SER A 33 9.375 -9.412 20.045 1.00 84.70 H new ATOM 0 HB3 SER A 33 9.494 -9.036 21.753 1.00 84.70 H new ATOM 0 HG SER A 33 8.345 -11.013 21.367 1.00 84.70 H new ATOM 511 N GLU A 34 7.879 -6.721 22.837 1.00109.83 N ATOM 512 CA GLU A 34 7.203 -6.283 24.054 1.00109.83 C ATOM 513 C GLU A 34 6.017 -5.384 23.719 1.00109.83 C ATOM 514 O GLU A 34 5.051 -5.305 24.479 1.00109.83 O ATOM 515 CB GLU A 34 8.178 -5.537 24.966 1.00109.83 C ATOM 516 CG GLU A 34 7.576 -5.151 26.307 1.00109.83 C ATOM 517 CD GLU A 34 8.516 -4.318 27.158 1.00109.83 C ATOM 518 OE1 GLU A 34 9.575 -3.897 26.643 1.00109.83 O ATOM 519 OE2 GLU A 34 8.188 -4.079 28.340 1.00109.83 O ATOM 0 H GLU A 34 8.857 -6.438 22.773 1.00109.83 H new ATOM 0 HA GLU A 34 6.835 -7.167 24.574 1.00109.83 H new ATOM 0 HB2 GLU A 34 9.055 -6.162 25.136 1.00109.83 H new ATOM 0 HB3 GLU A 34 8.522 -4.636 24.458 1.00109.83 H new ATOM 0 HG2 GLU A 34 6.655 -4.593 26.139 1.00109.83 H new ATOM 0 HG3 GLU A 34 7.306 -6.055 26.852 1.00109.83 H new ATOM 526 N LYS A 35 6.094 -4.711 22.575 1.00 73.01 N ATOM 527 CA LYS A 35 5.029 -3.822 22.136 1.00 73.01 C ATOM 528 C LYS A 35 4.073 -4.541 21.194 1.00 73.01 C ATOM 529 O LYS A 35 2.896 -4.205 21.117 1.00 73.01 O ATOM 530 CB LYS A 35 5.636 -2.610 21.440 1.00 73.01 C ATOM 531 CG LYS A 35 6.485 -1.777 22.374 1.00 73.01 C ATOM 532 CD LYS A 35 5.616 -1.057 23.386 1.00 73.01 C ATOM 533 CE LYS A 35 6.444 -0.187 24.317 1.00 73.01 C ATOM 534 NZ LYS A 35 6.953 -0.955 25.486 1.00 73.01 N ATOM 0 H LYS A 35 6.886 -4.766 21.935 1.00 73.01 H new ATOM 0 HA LYS A 35 4.462 -3.497 23.009 1.00 73.01 H new ATOM 0 HB2 LYS A 35 6.245 -2.944 20.600 1.00 73.01 H new ATOM 0 HB3 LYS A 35 4.838 -1.992 21.030 1.00 73.01 H new ATOM 0 HG2 LYS A 35 7.201 -2.416 22.891 1.00 73.01 H new ATOM 0 HG3 LYS A 35 7.062 -1.051 21.800 1.00 73.01 H new ATOM 0 HD2 LYS A 35 4.885 -0.439 22.864 1.00 73.01 H new ATOM 0 HD3 LYS A 35 5.057 -1.787 23.971 1.00 73.01 H new ATOM 0 HE2 LYS A 35 7.284 0.237 23.767 1.00 73.01 H new ATOM 0 HE3 LYS A 35 5.839 0.649 24.667 1.00 73.01 H new ATOM 0 HZ1 LYS A 35 7.513 -0.327 26.097 1.00 73.01 H new ATOM 0 HZ2 LYS A 35 6.151 -1.338 26.026 1.00 73.01 H new ATOM 0 HZ3 LYS A 35 7.552 -1.738 25.153 1.00 73.01 H new ATOM 548 N SER A 36 4.586 -5.546 20.498 1.00 80.12 N ATOM 549 CA SER A 36 3.783 -6.334 19.576 1.00 80.12 C ATOM 550 C SER A 36 2.607 -6.987 20.297 1.00 80.12 C ATOM 551 O SER A 36 1.546 -7.199 19.718 1.00 80.12 O ATOM 552 CB SER A 36 4.662 -7.398 18.921 1.00 80.12 C ATOM 553 OG SER A 36 3.933 -8.174 17.990 1.00 80.12 O ATOM 0 H SER A 36 5.562 -5.836 20.556 1.00 80.12 H new ATOM 0 HA SER A 36 3.379 -5.674 18.808 1.00 80.12 H new ATOM 0 HB2 SER A 36 5.501 -6.918 18.418 1.00 80.12 H new ATOM 0 HB3 SER A 36 5.081 -8.048 19.689 1.00 80.12 H new ATOM 0 HG SER A 36 4.525 -8.844 17.588 1.00 80.12 H new ATOM 559 N GLU A 37 2.810 -7.315 21.564 1.00 42.03 N ATOM 560 CA GLU A 37 1.779 -7.965 22.361 1.00 42.03 C ATOM 561 C GLU A 37 0.511 -7.112 22.470 1.00 42.03 C ATOM 562 O GLU A 37 -0.600 -7.640 22.443 1.00 42.03 O ATOM 563 CB GLU A 37 2.331 -8.268 23.753 1.00 42.03 C ATOM 564 CG GLU A 37 3.560 -9.166 23.731 1.00 42.03 C ATOM 565 CD GLU A 37 4.056 -9.522 25.122 1.00 42.03 C ATOM 566 OE1 GLU A 37 3.459 -9.044 26.111 1.00 42.03 O ATOM 567 OE2 GLU A 37 5.046 -10.278 25.224 1.00 42.03 O ATOM 0 H GLU A 37 3.682 -7.141 22.064 1.00 42.03 H new ATOM 0 HA GLU A 37 1.501 -8.892 21.860 1.00 42.03 H new ATOM 0 HB2 GLU A 37 2.584 -7.330 24.248 1.00 42.03 H new ATOM 0 HB3 GLU A 37 1.553 -8.744 24.349 1.00 42.03 H new ATOM 0 HG2 GLU A 37 3.325 -10.082 23.189 1.00 42.03 H new ATOM 0 HG3 GLU A 37 4.359 -8.667 23.182 1.00 42.03 H new ATOM 574 N GLU A 38 0.677 -5.799 22.601 1.00 75.99 N ATOM 575 CA GLU A 38 -0.471 -4.898 22.721 1.00 75.99 C ATOM 576 C GLU A 38 -0.950 -4.351 21.381 1.00 75.99 C ATOM 577 O GLU A 38 -1.884 -3.549 21.336 1.00 75.99 O ATOM 578 CB GLU A 38 -0.153 -3.741 23.663 1.00 75.99 C ATOM 579 CG GLU A 38 0.900 -2.780 23.124 1.00 75.99 C ATOM 580 CD GLU A 38 1.277 -1.700 24.122 1.00 75.99 C ATOM 581 OE1 GLU A 38 0.653 -1.640 25.203 1.00 75.99 O ATOM 582 OE2 GLU A 38 2.198 -0.912 23.821 1.00 75.99 O ATOM 0 H GLU A 38 1.585 -5.336 22.627 1.00 75.99 H new ATOM 0 HA GLU A 38 -1.283 -5.499 23.132 1.00 75.99 H new ATOM 0 HB2 GLU A 38 -1.069 -3.186 23.864 1.00 75.99 H new ATOM 0 HB3 GLU A 38 0.190 -4.144 24.616 1.00 75.99 H new ATOM 0 HG2 GLU A 38 1.792 -3.343 22.850 1.00 75.99 H new ATOM 0 HG3 GLU A 38 0.526 -2.312 22.213 1.00 75.99 H new ATOM 589 N ILE A 39 -0.326 -4.776 20.298 1.00131.16 N ATOM 590 CA ILE A 39 -0.720 -4.310 18.978 1.00131.16 C ATOM 591 C ILE A 39 -1.827 -5.187 18.409 1.00131.16 C ATOM 592 O ILE A 39 -1.598 -6.026 17.537 1.00131.16 O ATOM 593 CB ILE A 39 0.495 -4.232 18.026 1.00131.16 C ATOM 594 CG1 ILE A 39 1.440 -3.148 18.534 1.00131.16 C ATOM 595 CG2 ILE A 39 0.067 -3.928 16.595 1.00131.16 C ATOM 596 CD1 ILE A 39 2.776 -3.123 17.839 1.00131.16 C ATOM 0 H ILE A 39 0.450 -5.438 20.304 1.00131.16 H new ATOM 0 HA ILE A 39 -1.115 -3.299 19.076 1.00131.16 H new ATOM 0 HB ILE A 39 0.998 -5.199 18.014 1.00131.16 H new ATOM 0 HG12 ILE A 39 0.961 -2.177 18.412 1.00131.16 H new ATOM 0 HG13 ILE A 39 1.601 -3.292 19.602 1.00131.16 H new ATOM 0 HG21 ILE A 39 0.947 -3.881 15.954 1.00131.16 H new ATOM 0 HG22 ILE A 39 -0.599 -4.714 16.239 1.00131.16 H new ATOM 0 HG23 ILE A 39 -0.454 -2.971 16.567 1.00131.16 H new ATOM 0 HD11 ILE A 39 3.389 -2.325 18.258 1.00131.16 H new ATOM 0 HD12 ILE A 39 3.279 -4.080 17.982 1.00131.16 H new ATOM 0 HD13 ILE A 39 2.629 -2.946 16.774 1.00131.16 H new ATOM 608 N THR A 40 -3.032 -4.959 18.912 1.00160.31 N ATOM 609 CA THR A 40 -4.214 -5.697 18.471 1.00160.31 C ATOM 610 C THR A 40 -5.014 -4.917 17.415 1.00160.31 C ATOM 611 O THR A 40 -6.043 -5.386 16.927 1.00160.31 O ATOM 612 CB THR A 40 -5.127 -6.093 19.668 1.00160.31 C ATOM 613 OG1 THR A 40 -6.484 -6.264 19.234 1.00160.31 O ATOM 614 CG2 THR A 40 -5.076 -5.058 20.793 1.00160.31 C ATOM 0 H THR A 40 -3.221 -4.262 19.633 1.00160.31 H new ATOM 0 HA THR A 40 -3.853 -6.615 18.006 1.00160.31 H new ATOM 0 HB THR A 40 -4.748 -7.037 20.059 1.00160.31 H new ATOM 0 HG1 THR A 40 -6.523 -6.218 18.256 1.00160.31 H new ATOM 0 HG21 THR A 40 -5.727 -5.374 21.608 1.00160.31 H new ATOM 0 HG22 THR A 40 -4.053 -4.969 21.160 1.00160.31 H new ATOM 0 HG23 THR A 40 -5.411 -4.092 20.414 1.00160.31 H new ATOM 622 N THR A 41 -4.518 -3.738 17.058 1.00182.91 N ATOM 623 CA THR A 41 -5.144 -2.887 16.060 1.00182.91 C ATOM 624 C THR A 41 -4.108 -2.081 15.325 1.00182.91 C ATOM 625 O THR A 41 -3.090 -1.685 15.896 1.00182.91 O ATOM 626 CB THR A 41 -6.199 -1.913 16.655 1.00182.91 C ATOM 627 OG1 THR A 41 -6.295 -0.718 15.868 1.00182.91 O ATOM 628 CG2 THR A 41 -5.918 -1.528 18.105 1.00182.91 C ATOM 0 H THR A 41 -3.665 -3.346 17.457 1.00182.91 H new ATOM 0 HA THR A 41 -5.661 -3.563 15.379 1.00182.91 H new ATOM 0 HB THR A 41 -7.143 -2.457 16.633 1.00182.91 H new ATOM 0 HG1 THR A 41 -7.170 -0.301 16.012 1.00182.91 H new ATOM 0 HG21 THR A 41 -6.693 -0.847 18.457 1.00182.91 H new ATOM 0 HG22 THR A 41 -5.914 -2.424 18.725 1.00182.91 H new ATOM 0 HG23 THR A 41 -4.947 -1.038 18.170 1.00182.91 H new ATOM 636 N GLY A 42 -4.403 -1.779 14.068 1.00 66.60 N ATOM 637 CA GLY A 42 -3.509 -0.945 13.300 1.00 66.60 C ATOM 638 C GLY A 42 -3.382 0.399 13.988 1.00 66.60 C ATOM 639 O GLY A 42 -2.322 1.025 13.975 1.00 66.60 O ATOM 0 H GLY A 42 -5.237 -2.094 13.573 1.00 66.60 H new ATOM 0 HA2 GLY A 42 -2.531 -1.419 13.214 1.00 66.60 H new ATOM 0 HA3 GLY A 42 -3.890 -0.816 12.287 1.00 66.60 H new ATOM 643 N SER A 43 -4.476 0.801 14.654 1.00 41.24 N ATOM 644 CA SER A 43 -4.489 2.032 15.424 1.00 41.24 C ATOM 645 C SER A 43 -3.526 1.900 16.595 1.00 41.24 C ATOM 646 O SER A 43 -2.764 2.815 16.902 1.00 41.24 O ATOM 647 CB SER A 43 -5.902 2.344 15.925 1.00 41.24 C ATOM 648 OG SER A 43 -6.806 2.490 14.842 1.00 41.24 O ATOM 0 H SER A 43 -5.356 0.285 14.668 1.00 41.24 H new ATOM 0 HA SER A 43 -4.172 2.856 14.785 1.00 41.24 H new ATOM 0 HB2 SER A 43 -6.243 1.544 16.582 1.00 41.24 H new ATOM 0 HB3 SER A 43 -5.888 3.259 16.517 1.00 41.24 H new ATOM 0 HG SER A 43 -7.702 2.687 15.188 1.00 41.24 H new ATOM 654 N ALA A 44 -3.563 0.730 17.235 1.00 31.60 N ATOM 655 CA ALA A 44 -2.689 0.445 18.370 1.00 31.60 C ATOM 656 C ALA A 44 -1.234 0.458 17.941 1.00 31.60 C ATOM 657 O ALA A 44 -0.348 0.856 18.697 1.00 31.60 O ATOM 658 CB ALA A 44 -3.029 -0.908 18.970 1.00 31.60 C ATOM 0 H ALA A 44 -4.190 -0.035 16.985 1.00 31.60 H new ATOM 0 HA ALA A 44 -2.843 1.221 19.120 1.00 31.60 H new ATOM 0 HB1 ALA A 44 -2.370 -1.107 19.815 1.00 31.60 H new ATOM 0 HB2 ALA A 44 -4.064 -0.905 19.310 1.00 31.60 H new ATOM 0 HB3 ALA A 44 -2.897 -1.684 18.216 1.00 31.60 H new ATOM 664 N TRP A 45 -1.000 0.015 16.715 1.00 71.86 N ATOM 665 CA TRP A 45 0.337 -0.035 16.162 1.00 71.86 C ATOM 666 C TRP A 45 0.753 1.337 15.711 1.00 71.86 C ATOM 667 O TRP A 45 1.783 1.850 16.134 1.00 71.86 O ATOM 668 CB TRP A 45 0.382 -0.987 14.981 1.00 71.86 C ATOM 669 CG TRP A 45 1.759 -1.217 14.464 1.00 71.86 C ATOM 670 CD1 TRP A 45 2.920 -1.314 15.182 1.00 71.86 C ATOM 671 CD2 TRP A 45 2.113 -1.380 13.101 1.00 71.86 C ATOM 672 NE1 TRP A 45 3.975 -1.503 14.329 1.00 71.86 N ATOM 673 CE2 TRP A 45 3.504 -1.551 13.047 1.00 71.86 C ATOM 674 CE3 TRP A 45 1.383 -1.390 11.919 1.00 71.86 C ATOM 675 CZ2 TRP A 45 4.180 -1.730 11.851 1.00 71.86 C ATOM 676 CZ3 TRP A 45 2.048 -1.575 10.733 1.00 71.86 C ATOM 677 CH2 TRP A 45 3.440 -1.742 10.700 1.00 71.86 C ATOM 0 H TRP A 45 -1.728 -0.317 16.083 1.00 71.86 H new ATOM 0 HA TRP A 45 1.021 -0.390 16.933 1.00 71.86 H new ATOM 0 HB2 TRP A 45 -0.052 -1.942 15.276 1.00 71.86 H new ATOM 0 HB3 TRP A 45 -0.239 -0.589 14.178 1.00 71.86 H new ATOM 0 HD1 TRP A 45 2.993 -1.251 16.258 1.00 71.86 H new ATOM 0 HE1 TRP A 45 4.953 -1.593 14.606 1.00 71.86 H new ATOM 0 HE3 TRP A 45 0.312 -1.255 11.933 1.00 71.86 H new ATOM 0 HZ2 TRP A 45 5.252 -1.856 11.828 1.00 71.86 H new ATOM 0 HZ3 TRP A 45 1.490 -1.592 9.809 1.00 71.86 H new ATOM 0 HH2 TRP A 45 3.936 -1.882 9.751 1.00 71.86 H new ATOM 688 N PHE A 46 -0.062 1.943 14.855 1.00 81.71 N ATOM 689 CA PHE A 46 0.227 3.274 14.369 1.00 81.71 C ATOM 690 C PHE A 46 0.401 4.230 15.538 1.00 81.71 C ATOM 691 O PHE A 46 1.272 5.080 15.519 1.00 81.71 O ATOM 692 CB PHE A 46 -0.896 3.766 13.470 1.00 81.71 C ATOM 693 CG PHE A 46 -0.995 3.043 12.160 1.00 81.71 C ATOM 694 CD1 PHE A 46 0.140 2.733 11.428 1.00 81.71 C ATOM 695 CD2 PHE A 46 -2.228 2.705 11.648 1.00 81.71 C ATOM 696 CE1 PHE A 46 0.037 2.102 10.201 1.00 81.71 C ATOM 697 CE2 PHE A 46 -2.339 2.071 10.429 1.00 81.71 C ATOM 698 CZ PHE A 46 -1.209 1.774 9.702 1.00 81.71 C ATOM 0 H PHE A 46 -0.921 1.532 14.489 1.00 81.71 H new ATOM 0 HA PHE A 46 1.151 3.238 13.793 1.00 81.71 H new ATOM 0 HB2 PHE A 46 -1.843 3.664 14.001 1.00 81.71 H new ATOM 0 HB3 PHE A 46 -0.752 4.829 13.276 1.00 81.71 H new ATOM 0 HD1 PHE A 46 1.114 2.986 11.819 1.00 81.71 H new ATOM 0 HD2 PHE A 46 -3.120 2.940 12.209 1.00 81.71 H new ATOM 0 HE1 PHE A 46 0.927 1.867 9.636 1.00 81.71 H new ATOM 0 HE2 PHE A 46 -3.313 1.807 10.044 1.00 81.71 H new ATOM 0 HZ PHE A 46 -1.296 1.285 8.743 1.00 81.71 H new ATOM 708 N SER A 47 -0.424 4.068 16.567 1.00 81.62 N ATOM 709 CA SER A 47 -0.318 4.922 17.745 1.00 81.62 C ATOM 710 C SER A 47 1.014 4.697 18.435 1.00 81.62 C ATOM 711 O SER A 47 1.688 5.654 18.816 1.00 81.62 O ATOM 712 CB SER A 47 -1.477 4.668 18.712 1.00 81.62 C ATOM 713 OG SER A 47 -2.720 4.973 18.107 1.00 81.62 O ATOM 0 H SER A 47 -1.162 3.365 16.611 1.00 81.62 H new ATOM 0 HA SER A 47 -0.374 5.962 17.422 1.00 81.62 H new ATOM 0 HB2 SER A 47 -1.469 3.625 19.029 1.00 81.62 H new ATOM 0 HB3 SER A 47 -1.347 5.274 19.608 1.00 81.62 H new ATOM 0 HG SER A 47 -3.182 4.141 17.871 1.00 81.62 H new ATOM 719 N PHE A 48 1.425 3.437 18.549 1.00 49.76 N ATOM 720 CA PHE A 48 2.710 3.128 19.138 1.00 49.76 C ATOM 721 C PHE A 48 3.795 3.693 18.216 1.00 49.76 C ATOM 722 O PHE A 48 4.725 4.370 18.653 1.00 49.76 O ATOM 723 CB PHE A 48 2.863 1.608 19.327 1.00 49.76 C ATOM 724 CG PHE A 48 4.287 1.175 19.273 1.00 49.76 C ATOM 725 CD1 PHE A 48 4.845 0.859 18.061 1.00 49.76 C ATOM 726 CD2 PHE A 48 5.068 1.165 20.404 1.00 49.76 C ATOM 727 CE1 PHE A 48 6.176 0.526 17.968 1.00 49.76 C ATOM 728 CE2 PHE A 48 6.402 0.822 20.329 1.00 49.76 C ATOM 729 CZ PHE A 48 6.960 0.503 19.106 1.00 49.76 C ATOM 0 H PHE A 48 0.888 2.626 18.243 1.00 49.76 H new ATOM 0 HA PHE A 48 2.800 3.580 20.126 1.00 49.76 H new ATOM 0 HB2 PHE A 48 2.433 1.318 20.286 1.00 49.76 H new ATOM 0 HB3 PHE A 48 2.297 1.089 18.553 1.00 49.76 H new ATOM 0 HD1 PHE A 48 4.233 0.872 17.171 1.00 49.76 H new ATOM 0 HD2 PHE A 48 4.634 1.427 21.358 1.00 49.76 H new ATOM 0 HE1 PHE A 48 6.608 0.283 17.008 1.00 49.76 H new ATOM 0 HE2 PHE A 48 7.008 0.803 21.223 1.00 49.76 H new ATOM 0 HZ PHE A 48 8.005 0.237 19.040 1.00 49.76 H new ATOM 739 N LEU A 49 3.631 3.405 16.925 1.00 52.14 N ATOM 740 CA LEU A 49 4.544 3.868 15.891 1.00 52.14 C ATOM 741 C LEU A 49 4.652 5.394 15.960 1.00 52.14 C ATOM 742 O LEU A 49 5.745 5.958 15.930 1.00 52.14 O ATOM 743 CB LEU A 49 4.019 3.410 14.518 1.00 52.14 C ATOM 744 CG LEU A 49 4.881 2.377 13.775 1.00 52.14 C ATOM 745 CD1 LEU A 49 5.269 1.240 14.706 1.00 52.14 C ATOM 746 CD2 LEU A 49 4.137 1.836 12.563 1.00 52.14 C ATOM 0 H LEU A 49 2.858 2.842 16.570 1.00 52.14 H new ATOM 0 HA LEU A 49 5.538 3.447 16.042 1.00 52.14 H new ATOM 0 HB2 LEU A 49 3.022 2.991 14.654 1.00 52.14 H new ATOM 0 HB3 LEU A 49 3.911 4.288 13.882 1.00 52.14 H new ATOM 0 HG LEU A 49 5.790 2.871 13.432 1.00 52.14 H new ATOM 0 HD11 LEU A 49 5.879 0.518 14.164 1.00 52.14 H new ATOM 0 HD12 LEU A 49 5.838 1.636 15.547 1.00 52.14 H new ATOM 0 HD13 LEU A 49 4.369 0.749 15.076 1.00 52.14 H new ATOM 0 HD21 LEU A 49 4.762 1.106 12.049 1.00 52.14 H new ATOM 0 HD22 LEU A 49 3.212 1.358 12.887 1.00 52.14 H new ATOM 0 HD23 LEU A 49 3.903 2.656 11.884 1.00 52.14 H new ATOM 758 N GLU A 50 3.496 6.049 16.095 1.00 63.10 N ATOM 759 CA GLU A 50 3.447 7.504 16.218 1.00 63.10 C ATOM 760 C GLU A 50 4.105 7.928 17.519 1.00 63.10 C ATOM 761 O GLU A 50 4.866 8.894 17.563 1.00 63.10 O ATOM 762 CB GLU A 50 2.007 8.031 16.173 1.00 63.10 C ATOM 763 CG GLU A 50 1.375 7.992 14.791 1.00 63.10 C ATOM 764 CD GLU A 50 -0.014 8.602 14.766 1.00 63.10 C ATOM 765 OE1 GLU A 50 -0.602 8.795 15.852 1.00 63.10 O ATOM 766 OE2 GLU A 50 -0.513 8.891 13.657 1.00 63.10 O ATOM 0 H GLU A 50 2.584 5.593 16.122 1.00 63.10 H new ATOM 0 HA GLU A 50 3.985 7.929 15.371 1.00 63.10 H new ATOM 0 HB2 GLU A 50 1.395 7.444 16.857 1.00 63.10 H new ATOM 0 HB3 GLU A 50 1.996 9.058 16.537 1.00 63.10 H new ATOM 0 HG2 GLU A 50 2.015 8.526 14.088 1.00 63.10 H new ATOM 0 HG3 GLU A 50 1.320 6.958 14.450 1.00 63.10 H new ATOM 773 N SER A 51 3.814 7.176 18.579 1.00 75.02 N ATOM 774 CA SER A 51 4.387 7.450 19.895 1.00 75.02 C ATOM 775 C SER A 51 5.911 7.397 19.825 1.00 75.02 C ATOM 776 O SER A 51 6.605 8.093 20.567 1.00 75.02 O ATOM 777 CB SER A 51 3.876 6.439 20.924 1.00 75.02 C ATOM 778 OG SER A 51 2.463 6.476 21.022 1.00 75.02 O ATOM 0 H SER A 51 3.185 6.373 18.552 1.00 75.02 H new ATOM 0 HA SER A 51 4.079 8.449 20.205 1.00 75.02 H new ATOM 0 HB2 SER A 51 4.197 5.436 20.643 1.00 75.02 H new ATOM 0 HB3 SER A 51 4.316 6.653 21.898 1.00 75.02 H new ATOM 0 HG SER A 51 2.070 6.351 20.133 1.00 75.02 H new ATOM 784 N HIS A 52 6.419 6.573 18.912 1.00122.90 N ATOM 785 CA HIS A 52 7.851 6.429 18.718 1.00122.90 C ATOM 786 C HIS A 52 8.271 7.133 17.434 1.00122.90 C ATOM 787 O HIS A 52 7.458 7.795 16.788 1.00122.90 O ATOM 788 CB HIS A 52 8.233 4.950 18.650 1.00122.90 C ATOM 789 CG HIS A 52 8.110 4.256 19.957 1.00122.90 C ATOM 790 ND1 HIS A 52 9.172 3.688 20.626 1.00122.90 N ATOM 791 CD2 HIS A 52 7.027 4.053 20.723 1.00122.90 C ATOM 792 CE1 HIS A 52 8.740 3.160 21.757 1.00122.90 C ATOM 793 NE2 HIS A 52 7.437 3.369 21.840 1.00122.90 N ATOM 0 H HIS A 52 5.852 5.993 18.293 1.00122.90 H new ATOM 0 HA HIS A 52 8.367 6.884 19.563 1.00122.90 H new ATOM 0 HB2 HIS A 52 7.598 4.450 17.919 1.00122.90 H new ATOM 0 HB3 HIS A 52 9.259 4.862 18.294 1.00122.90 H new ATOM 0 HD2 HIS A 52 6.019 4.370 20.501 1.00122.90 H new ATOM 0 HE1 HIS A 52 9.347 2.646 22.488 1.00122.90 H new ATOM 0 HE2 HIS A 52 6.835 3.071 22.608 1.00122.90 H new ATOM 801 N ASN A 53 9.535 6.989 17.063 1.00225.56 N ATOM 802 CA ASN A 53 10.048 7.612 15.849 1.00225.56 C ATOM 803 C ASN A 53 9.914 6.681 14.641 1.00225.56 C ATOM 804 O ASN A 53 10.713 6.748 13.707 1.00225.56 O ATOM 805 CB ASN A 53 11.511 8.014 16.043 1.00225.56 C ATOM 806 CG ASN A 53 11.705 8.942 17.228 1.00225.56 C ATOM 807 OD1 ASN A 53 10.764 9.589 17.689 1.00225.56 O ATOM 808 ND2 ASN A 53 12.932 9.006 17.730 1.00225.56 N ATOM 0 H ASN A 53 10.225 6.447 17.584 1.00225.56 H new ATOM 0 HA ASN A 53 9.452 8.503 15.652 1.00225.56 H new ATOM 0 HB2 ASN A 53 12.115 7.118 16.184 1.00225.56 H new ATOM 0 HB3 ASN A 53 11.873 8.503 15.139 1.00225.56 H new ATOM 0 HD21 ASN A 53 13.125 9.609 18.530 1.00225.56 H new ATOM 0 HD22 ASN A 53 13.682 8.452 17.316 1.00225.56 H new ATOM 815 N LYS A 54 8.915 5.799 14.670 1.00217.59 N ATOM 816 CA LYS A 54 8.702 4.851 13.587 1.00217.59 C ATOM 817 C LYS A 54 7.675 5.344 12.579 1.00217.59 C ATOM 818 O LYS A 54 7.570 4.787 11.488 1.00217.59 O ATOM 819 CB LYS A 54 8.190 3.530 14.155 1.00217.59 C ATOM 820 CG LYS A 54 9.037 2.965 15.280 1.00217.59 C ATOM 821 CD LYS A 54 10.503 2.887 14.891 1.00217.59 C ATOM 822 CE LYS A 54 11.311 4.010 15.516 1.00217.59 C ATOM 823 NZ LYS A 54 12.452 3.487 16.317 1.00217.59 N ATOM 0 H LYS A 54 8.243 5.725 15.434 1.00217.59 H new ATOM 0 HA LYS A 54 9.661 4.729 13.083 1.00217.59 H new ATOM 0 HB2 LYS A 54 7.173 3.674 14.519 1.00217.59 H new ATOM 0 HB3 LYS A 54 8.140 2.797 13.350 1.00217.59 H new ATOM 0 HG2 LYS A 54 8.928 3.589 16.167 1.00217.59 H new ATOM 0 HG3 LYS A 54 8.676 1.971 15.544 1.00217.59 H new ATOM 0 HD2 LYS A 54 10.912 1.927 15.205 1.00217.59 H new ATOM 0 HD3 LYS A 54 10.594 2.933 13.806 1.00217.59 H new ATOM 0 HE2 LYS A 54 11.687 4.667 14.732 1.00217.59 H new ATOM 0 HE3 LYS A 54 10.664 4.612 16.154 1.00217.59 H new ATOM 0 HZ1 LYS A 54 12.981 4.282 16.728 1.00217.59 H new ATOM 0 HZ2 LYS A 54 12.091 2.880 17.080 1.00217.59 H new ATOM 0 HZ3 LYS A 54 13.082 2.933 15.703 1.00217.59 H new ATOM 837 N LEU A 55 6.903 6.368 12.926 1.00 97.75 N ATOM 838 CA LEU A 55 5.891 6.847 11.997 1.00 97.75 C ATOM 839 C LEU A 55 5.430 8.267 12.266 1.00 97.75 C ATOM 840 O LEU A 55 4.646 8.534 13.176 1.00 97.75 O ATOM 841 CB LEU A 55 4.695 5.918 12.030 1.00 97.75 C ATOM 842 CG LEU A 55 3.566 6.296 11.082 1.00 97.75 C ATOM 843 CD1 LEU A 55 2.879 5.053 10.537 1.00 97.75 C ATOM 844 CD2 LEU A 55 2.574 7.194 11.800 1.00 97.75 C ATOM 0 H LEU A 55 6.955 6.867 13.814 1.00 97.75 H new ATOM 0 HA LEU A 55 6.359 6.855 11.012 1.00 97.75 H new ATOM 0 HB2 LEU A 55 5.030 4.909 11.789 1.00 97.75 H new ATOM 0 HB3 LEU A 55 4.303 5.890 13.047 1.00 97.75 H new ATOM 0 HG LEU A 55 3.983 6.841 10.235 1.00 97.75 H new ATOM 0 HD11 LEU A 55 2.076 5.348 9.862 1.00 97.75 H new ATOM 0 HD12 LEU A 55 3.603 4.445 9.995 1.00 97.75 H new ATOM 0 HD13 LEU A 55 2.465 4.474 11.363 1.00 97.75 H new ATOM 0 HD21 LEU A 55 1.767 7.463 11.118 1.00 97.75 H new ATOM 0 HD22 LEU A 55 2.162 6.666 12.660 1.00 97.75 H new ATOM 0 HD23 LEU A 55 3.080 8.098 12.138 1.00 97.75 H new ATOM 856 N ASP A 56 5.887 9.154 11.405 1.00109.16 N ATOM 857 CA ASP A 56 5.501 10.554 11.445 1.00109.16 C ATOM 858 C ASP A 56 4.184 10.731 10.702 1.00109.16 C ATOM 859 O ASP A 56 3.589 9.754 10.262 1.00109.16 O ATOM 860 CB ASP A 56 6.593 11.439 10.839 1.00109.16 C ATOM 861 CG ASP A 56 7.858 11.451 11.678 1.00109.16 C ATOM 862 OD1 ASP A 56 7.795 11.030 12.853 1.00109.16 O ATOM 863 OD2 ASP A 56 8.909 11.885 11.161 1.00109.16 O ATOM 0 H ASP A 56 6.539 8.925 10.655 1.00109.16 H new ATOM 0 HA ASP A 56 5.371 10.861 12.483 1.00109.16 H new ATOM 0 HB2 ASP A 56 6.829 11.085 9.835 1.00109.16 H new ATOM 0 HB3 ASP A 56 6.217 12.457 10.738 1.00109.16 H new ATOM 868 N LYS A 57 3.751 11.970 10.533 1.00 65.03 N ATOM 869 CA LYS A 57 2.516 12.255 9.803 1.00 65.03 C ATOM 870 C LYS A 57 2.717 12.068 8.290 1.00 65.03 C ATOM 871 O LYS A 57 1.749 11.961 7.538 1.00 65.03 O ATOM 872 CB LYS A 57 2.007 13.673 10.129 1.00 65.03 C ATOM 873 CG LYS A 57 2.693 14.784 9.349 1.00 65.03 C ATOM 874 CD LYS A 57 4.186 14.781 9.590 1.00 65.03 C ATOM 875 CE LYS A 57 4.887 15.879 8.806 1.00 65.03 C ATOM 876 NZ LYS A 57 6.351 15.917 9.083 1.00 65.03 N ATOM 0 H LYS A 57 4.232 12.796 10.889 1.00 65.03 H new ATOM 0 HA LYS A 57 1.756 11.544 10.125 1.00 65.03 H new ATOM 0 HB2 LYS A 57 0.936 13.715 9.931 1.00 65.03 H new ATOM 0 HB3 LYS A 57 2.142 13.858 11.195 1.00 65.03 H new ATOM 0 HG2 LYS A 57 2.494 14.661 8.284 1.00 65.03 H new ATOM 0 HG3 LYS A 57 2.277 15.748 9.642 1.00 65.03 H new ATOM 0 HD2 LYS A 57 4.383 14.912 10.654 1.00 65.03 H new ATOM 0 HD3 LYS A 57 4.598 13.812 9.307 1.00 65.03 H new ATOM 0 HE2 LYS A 57 4.724 15.723 7.740 1.00 65.03 H new ATOM 0 HE3 LYS A 57 4.445 16.843 9.059 1.00 65.03 H new ATOM 0 HZ1 LYS A 57 6.790 16.680 8.528 1.00 65.03 H new ATOM 0 HZ2 LYS A 57 6.508 16.091 10.096 1.00 65.03 H new ATOM 0 HZ3 LYS A 57 6.778 15.007 8.818 1.00 65.03 H new ATOM 890 N ASP A 58 3.978 12.034 7.850 1.00165.72 N ATOM 891 CA ASP A 58 4.291 11.864 6.436 1.00165.72 C ATOM 892 C ASP A 58 5.284 10.717 6.202 1.00165.72 C ATOM 893 O ASP A 58 5.511 10.322 5.059 1.00165.72 O ATOM 894 CB ASP A 58 4.861 13.164 5.867 1.00165.72 C ATOM 895 CG ASP A 58 4.939 13.147 4.353 1.00165.72 C ATOM 896 OD1 ASP A 58 3.935 13.510 3.704 1.00165.72 O ATOM 897 OD2 ASP A 58 6.002 12.770 3.816 1.00165.72 O ATOM 0 H ASP A 58 4.795 12.122 8.455 1.00165.72 H new ATOM 0 HA ASP A 58 3.363 11.611 5.923 1.00165.72 H new ATOM 0 HB2 ASP A 58 4.240 14.001 6.187 1.00165.72 H new ATOM 0 HB3 ASP A 58 5.857 13.331 6.278 1.00165.72 H new ATOM 902 N ASN A 59 5.878 10.181 7.273 1.00 98.89 N ATOM 903 CA ASN A 59 6.838 9.084 7.132 1.00 98.89 C ATOM 904 C ASN A 59 6.159 7.732 7.276 1.00 98.89 C ATOM 905 O ASN A 59 5.913 7.252 8.382 1.00 98.89 O ATOM 906 CB ASN A 59 7.970 9.219 8.152 1.00 98.89 C ATOM 907 CG ASN A 59 8.912 10.360 7.820 1.00 98.89 C ATOM 908 OD1 ASN A 59 8.398 11.584 7.859 1.00 98.89 O flip ATOM 909 ND2 ASN A 59 10.089 10.143 7.529 1.00 98.89 N flip ATOM 0 H ASN A 59 5.714 10.484 8.233 1.00 98.89 H new ATOM 0 HA ASN A 59 7.261 9.145 6.129 1.00 98.89 H new ATOM 0 HB2 ASN A 59 7.546 9.378 9.143 1.00 98.89 H new ATOM 0 HB3 ASN A 59 8.533 8.286 8.192 1.00 98.89 H new ATOM 0 HD21 ASN A 59 10.442 9.186 7.511 1.00 98.89 H new ATOM 0 HD22 ASN A 59 10.711 10.920 7.306 1.00 98.89 H new ATOM 916 N LEU A 60 5.882 7.123 6.135 1.00196.24 N ATOM 917 CA LEU A 60 5.251 5.812 6.079 1.00196.24 C ATOM 918 C LEU A 60 6.179 4.788 5.416 1.00196.24 C ATOM 919 O LEU A 60 5.750 3.686 5.075 1.00196.24 O ATOM 920 CB LEU A 60 3.933 5.891 5.296 1.00196.24 C ATOM 921 CG LEU A 60 3.921 6.897 4.134 1.00196.24 C ATOM 922 CD1 LEU A 60 3.148 6.342 2.948 1.00196.24 C ATOM 923 CD2 LEU A 60 3.330 8.224 4.588 1.00196.24 C ATOM 0 H LEU A 60 6.088 7.523 5.220 1.00196.24 H new ATOM 0 HA LEU A 60 5.047 5.491 7.101 1.00196.24 H new ATOM 0 HB2 LEU A 60 3.704 4.901 4.901 1.00196.24 H new ATOM 0 HB3 LEU A 60 3.133 6.151 5.989 1.00196.24 H new ATOM 0 HG LEU A 60 4.950 7.068 3.817 1.00196.24 H new ATOM 0 HD11 LEU A 60 3.153 7.071 2.137 1.00196.24 H new ATOM 0 HD12 LEU A 60 3.617 5.418 2.608 1.00196.24 H new ATOM 0 HD13 LEU A 60 2.120 6.138 3.247 1.00196.24 H new ATOM 0 HD21 LEU A 60 3.328 8.926 3.754 1.00196.24 H new ATOM 0 HD22 LEU A 60 2.308 8.068 4.933 1.00196.24 H new ATOM 0 HD23 LEU A 60 3.930 8.630 5.403 1.00196.24 H new ATOM 935 N SER A 61 7.443 5.163 5.209 1.00 66.14 N ATOM 936 CA SER A 61 8.401 4.275 4.557 1.00 66.14 C ATOM 937 C SER A 61 8.558 2.946 5.291 1.00 66.14 C ATOM 938 O SER A 61 8.604 1.890 4.661 1.00 66.14 O ATOM 939 CB SER A 61 9.760 4.967 4.435 1.00 66.14 C ATOM 940 OG SER A 61 10.337 5.190 5.710 1.00 66.14 O ATOM 0 H SER A 61 7.823 6.069 5.482 1.00 66.14 H new ATOM 0 HA SER A 61 8.009 4.053 3.565 1.00 66.14 H new ATOM 0 HB2 SER A 61 10.430 4.355 3.832 1.00 66.14 H new ATOM 0 HB3 SER A 61 9.642 5.918 3.915 1.00 66.14 H new ATOM 0 HG SER A 61 11.205 5.632 5.603 1.00 66.14 H new ATOM 946 N TYR A 62 8.640 2.994 6.615 1.00 59.69 N ATOM 947 CA TYR A 62 8.788 1.778 7.401 1.00 59.69 C ATOM 948 C TYR A 62 7.506 0.951 7.374 1.00 59.69 C ATOM 949 O TYR A 62 7.560 -0.266 7.284 1.00 59.69 O ATOM 950 CB TYR A 62 9.222 2.119 8.848 1.00 59.69 C ATOM 951 CG TYR A 62 8.719 1.158 9.917 1.00 59.69 C ATOM 952 CD1 TYR A 62 8.977 -0.207 9.853 1.00 59.69 C ATOM 953 CD2 TYR A 62 7.950 1.627 10.967 1.00 59.69 C ATOM 954 CE1 TYR A 62 8.486 -1.070 10.814 1.00 59.69 C ATOM 955 CE2 TYR A 62 7.454 0.776 11.929 1.00 59.69 C ATOM 956 CZ TYR A 62 7.721 -0.573 11.851 1.00 59.69 C ATOM 957 OH TYR A 62 7.225 -1.425 12.815 1.00 59.69 O ATOM 0 H TYR A 62 8.607 3.854 7.162 1.00 59.69 H new ATOM 0 HA TYR A 62 9.573 1.168 6.954 1.00 59.69 H new ATOM 0 HB2 TYR A 62 10.311 2.144 8.888 1.00 59.69 H new ATOM 0 HB3 TYR A 62 8.871 3.122 9.089 1.00 59.69 H new ATOM 0 HD1 TYR A 62 9.570 -0.599 9.040 1.00 59.69 H new ATOM 0 HD2 TYR A 62 7.734 2.683 11.034 1.00 59.69 H new ATOM 0 HE1 TYR A 62 8.699 -2.127 10.755 1.00 59.69 H new ATOM 0 HE2 TYR A 62 6.858 1.165 12.741 1.00 59.69 H new ATOM 0 HH TYR A 62 7.025 -2.295 12.411 1.00 59.69 H new ATOM 967 N ILE A 63 6.363 1.613 7.472 1.00 95.89 N ATOM 968 CA ILE A 63 5.086 0.915 7.482 1.00 95.89 C ATOM 969 C ILE A 63 4.767 0.377 6.103 1.00 95.89 C ATOM 970 O ILE A 63 4.425 -0.793 5.939 1.00 95.89 O ATOM 971 CB ILE A 63 3.940 1.820 8.006 1.00 95.89 C ATOM 972 CG1 ILE A 63 3.378 2.763 6.933 1.00 95.89 C ATOM 973 CG2 ILE A 63 4.420 2.646 9.196 1.00 95.89 C ATOM 974 CD1 ILE A 63 2.166 3.517 7.407 1.00 95.89 C ATOM 0 H ILE A 63 6.293 2.628 7.545 1.00 95.89 H new ATOM 0 HA ILE A 63 5.171 0.074 8.171 1.00 95.89 H new ATOM 0 HB ILE A 63 3.135 1.150 8.307 1.00 95.89 H new ATOM 0 HG12 ILE A 63 4.151 3.473 6.637 1.00 95.89 H new ATOM 0 HG13 ILE A 63 3.119 2.185 6.046 1.00 95.89 H new ATOM 0 HG21 ILE A 63 3.606 3.276 9.553 1.00 95.89 H new ATOM 0 HG22 ILE A 63 4.741 1.979 9.996 1.00 95.89 H new ATOM 0 HG23 ILE A 63 5.257 3.273 8.889 1.00 95.89 H new ATOM 0 HD11 ILE A 63 1.809 4.169 6.610 1.00 95.89 H new ATOM 0 HD12 ILE A 63 1.381 2.811 7.677 1.00 95.89 H new ATOM 0 HD13 ILE A 63 2.429 4.118 8.277 1.00 95.89 H new ATOM 986 N GLU A 64 4.927 1.234 5.104 1.00 77.41 N ATOM 987 CA GLU A 64 4.700 0.837 3.718 1.00 77.41 C ATOM 988 C GLU A 64 5.514 -0.417 3.418 1.00 77.41 C ATOM 989 O GLU A 64 5.117 -1.257 2.615 1.00 77.41 O ATOM 990 CB GLU A 64 5.096 1.961 2.757 1.00 77.41 C ATOM 991 CG GLU A 64 4.813 1.642 1.295 1.00 77.41 C ATOM 992 CD GLU A 64 5.326 2.716 0.354 1.00 77.41 C ATOM 993 OE1 GLU A 64 6.299 3.408 0.720 1.00 77.41 O ATOM 994 OE2 GLU A 64 4.757 2.863 -0.747 1.00 77.41 O ATOM 0 H GLU A 64 5.212 2.206 5.225 1.00 77.41 H new ATOM 0 HA GLU A 64 3.639 0.631 3.578 1.00 77.41 H new ATOM 0 HB2 GLU A 64 4.559 2.869 3.032 1.00 77.41 H new ATOM 0 HB3 GLU A 64 6.159 2.171 2.875 1.00 77.41 H new ATOM 0 HG2 GLU A 64 5.275 0.689 1.039 1.00 77.41 H new ATOM 0 HG3 GLU A 64 3.739 1.523 1.154 1.00 77.41 H new ATOM 1001 N HIS A 65 6.642 -0.550 4.115 1.00 68.54 N ATOM 1002 CA HIS A 65 7.485 -1.721 3.964 1.00 68.54 C ATOM 1003 C HIS A 65 6.788 -2.924 4.565 1.00 68.54 C ATOM 1004 O HIS A 65 6.744 -3.988 3.959 1.00 68.54 O ATOM 1005 CB HIS A 65 8.844 -1.477 4.627 1.00 68.54 C ATOM 1006 CG HIS A 65 9.708 -2.694 4.741 1.00 68.54 C ATOM 1007 ND1 HIS A 65 10.484 -3.173 3.709 1.00 68.54 N ATOM 1008 CD2 HIS A 65 9.910 -3.530 5.784 1.00 68.54 C ATOM 1009 CE1 HIS A 65 11.126 -4.255 4.110 1.00 68.54 C ATOM 1010 NE2 HIS A 65 10.797 -4.492 5.368 1.00 68.54 N ATOM 0 H HIS A 65 6.986 0.138 4.785 1.00 68.54 H new ATOM 0 HA HIS A 65 7.659 -1.916 2.906 1.00 68.54 H new ATOM 0 HB2 HIS A 65 9.381 -0.718 4.057 1.00 68.54 H new ATOM 0 HB3 HIS A 65 8.679 -1.069 5.624 1.00 68.54 H new ATOM 0 HD2 HIS A 65 9.458 -3.455 6.762 1.00 68.54 H new ATOM 0 HE1 HIS A 65 11.804 -4.846 3.512 1.00 68.54 H new ATOM 0 HE2 HIS A 65 11.145 -5.264 5.937 1.00 68.54 H new ATOM 1018 N ILE A 66 6.227 -2.734 5.759 1.00 44.28 N ATOM 1019 CA ILE A 66 5.511 -3.795 6.455 1.00 44.28 C ATOM 1020 C ILE A 66 4.386 -4.305 5.585 1.00 44.28 C ATOM 1021 O ILE A 66 4.249 -5.504 5.350 1.00 44.28 O ATOM 1022 CB ILE A 66 4.943 -3.275 7.789 1.00 44.28 C ATOM 1023 CG1 ILE A 66 6.084 -2.711 8.633 1.00 44.28 C ATOM 1024 CG2 ILE A 66 4.179 -4.358 8.544 1.00 44.28 C ATOM 1025 CD1 ILE A 66 7.245 -3.646 8.813 1.00 44.28 C ATOM 0 H ILE A 66 6.257 -1.848 6.264 1.00 44.28 H new ATOM 0 HA ILE A 66 6.206 -4.608 6.664 1.00 44.28 H new ATOM 0 HB ILE A 66 4.225 -2.483 7.577 1.00 44.28 H new ATOM 0 HG12 ILE A 66 6.442 -1.792 8.169 1.00 44.28 H new ATOM 0 HG13 ILE A 66 5.695 -2.442 9.615 1.00 44.28 H new ATOM 0 HG21 ILE A 66 3.796 -3.948 9.479 1.00 44.28 H new ATOM 0 HG22 ILE A 66 3.347 -4.709 7.933 1.00 44.28 H new ATOM 0 HG23 ILE A 66 4.848 -5.191 8.760 1.00 44.28 H new ATOM 0 HD11 ILE A 66 8.008 -3.165 9.424 1.00 44.28 H new ATOM 0 HD12 ILE A 66 6.906 -4.557 9.307 1.00 44.28 H new ATOM 0 HD13 ILE A 66 7.665 -3.896 7.839 1.00 44.28 H new ATOM 1037 N PHE A 67 3.601 -3.368 5.085 1.00103.95 N ATOM 1038 CA PHE A 67 2.504 -3.700 4.206 1.00103.95 C ATOM 1039 C PHE A 67 3.034 -4.365 2.933 1.00103.95 C ATOM 1040 O PHE A 67 2.367 -5.218 2.347 1.00103.95 O ATOM 1041 CB PHE A 67 1.699 -2.443 3.897 1.00103.95 C ATOM 1042 CG PHE A 67 1.221 -1.776 5.154 1.00103.95 C ATOM 1043 CD1 PHE A 67 0.549 -2.511 6.121 1.00103.95 C ATOM 1044 CD2 PHE A 67 1.465 -0.434 5.384 1.00103.95 C ATOM 1045 CE1 PHE A 67 0.129 -1.919 7.294 1.00103.95 C ATOM 1046 CE2 PHE A 67 1.050 0.165 6.561 1.00103.95 C ATOM 1047 CZ PHE A 67 0.381 -0.581 7.514 1.00103.95 C ATOM 0 H PHE A 67 3.706 -2.371 5.275 1.00103.95 H new ATOM 0 HA PHE A 67 1.840 -4.413 4.695 1.00103.95 H new ATOM 0 HB2 PHE A 67 2.313 -1.747 3.325 1.00103.95 H new ATOM 0 HB3 PHE A 67 0.844 -2.701 3.272 1.00103.95 H new ATOM 0 HD1 PHE A 67 0.353 -3.560 5.953 1.00103.95 H new ATOM 0 HD2 PHE A 67 1.984 0.151 4.639 1.00103.95 H new ATOM 0 HE1 PHE A 67 -0.395 -2.501 8.037 1.00103.95 H new ATOM 0 HE2 PHE A 67 1.248 1.212 6.735 1.00103.95 H new ATOM 0 HZ PHE A 67 0.055 -0.115 8.432 1.00103.95 H new ATOM 1057 N GLU A 68 4.254 -3.982 2.516 1.00 76.40 N ATOM 1058 CA GLU A 68 4.868 -4.569 1.324 1.00 76.40 C ATOM 1059 C GLU A 68 5.362 -5.981 1.608 1.00 76.40 C ATOM 1060 O GLU A 68 5.010 -6.925 0.900 1.00 76.40 O ATOM 1061 CB GLU A 68 6.031 -3.706 0.825 1.00 76.40 C ATOM 1062 CG GLU A 68 6.720 -4.275 -0.409 1.00 76.40 C ATOM 1063 CD GLU A 68 7.927 -3.461 -0.842 1.00 76.40 C ATOM 1064 OE1 GLU A 68 8.257 -2.470 -0.158 1.00 76.40 O ATOM 1065 OE2 GLU A 68 8.543 -3.816 -1.870 1.00 76.40 O ATOM 0 H GLU A 68 4.824 -3.277 2.984 1.00 76.40 H new ATOM 0 HA GLU A 68 4.104 -4.612 0.548 1.00 76.40 H new ATOM 0 HB2 GLU A 68 5.660 -2.707 0.597 1.00 76.40 H new ATOM 0 HB3 GLU A 68 6.764 -3.599 1.625 1.00 76.40 H new ATOM 0 HG2 GLU A 68 7.033 -5.299 -0.204 1.00 76.40 H new ATOM 0 HG3 GLU A 68 6.005 -4.319 -1.230 1.00 76.40 H new ATOM 1072 N ILE A 69 6.171 -6.128 2.654 1.00 33.63 N ATOM 1073 CA ILE A 69 6.687 -7.437 3.016 1.00 33.63 C ATOM 1074 C ILE A 69 5.544 -8.351 3.430 1.00 33.63 C ATOM 1075 O ILE A 69 5.586 -9.562 3.214 1.00 33.63 O ATOM 1076 CB ILE A 69 7.721 -7.360 4.142 1.00 33.63 C ATOM 1077 CG1 ILE A 69 7.118 -6.731 5.401 1.00 33.63 C ATOM 1078 CG2 ILE A 69 8.965 -6.603 3.673 1.00 33.63 C ATOM 1079 CD1 ILE A 69 8.133 -6.489 6.494 1.00 33.63 C ATOM 0 H ILE A 69 6.478 -5.365 3.257 1.00 33.63 H new ATOM 0 HA ILE A 69 7.187 -7.843 2.137 1.00 33.63 H new ATOM 0 HB ILE A 69 8.025 -8.374 4.403 1.00 33.63 H new ATOM 0 HG12 ILE A 69 6.647 -5.784 5.136 1.00 33.63 H new ATOM 0 HG13 ILE A 69 6.332 -7.382 5.783 1.00 33.63 H new ATOM 0 HG21 ILE A 69 9.691 -6.557 4.485 1.00 33.63 H new ATOM 0 HG22 ILE A 69 9.406 -7.120 2.821 1.00 33.63 H new ATOM 0 HG23 ILE A 69 8.686 -5.591 3.378 1.00 33.63 H new ATOM 0 HD11 ILE A 69 7.639 -6.042 7.357 1.00 33.63 H new ATOM 0 HD12 ILE A 69 8.586 -7.436 6.786 1.00 33.63 H new ATOM 0 HD13 ILE A 69 8.907 -5.814 6.129 1.00 33.63 H new ATOM 1091 N SER A 70 4.505 -7.745 3.984 1.00 80.34 N ATOM 1092 CA SER A 70 3.316 -8.472 4.388 1.00 80.34 C ATOM 1093 C SER A 70 2.464 -8.722 3.149 1.00 80.34 C ATOM 1094 O SER A 70 2.370 -7.860 2.275 1.00 80.34 O ATOM 1095 CB SER A 70 2.524 -7.666 5.417 1.00 80.34 C ATOM 1096 OG SER A 70 1.335 -8.340 5.786 1.00 80.34 O ATOM 0 H SER A 70 4.464 -6.742 4.164 1.00 80.34 H new ATOM 0 HA SER A 70 3.599 -9.420 4.846 1.00 80.34 H new ATOM 0 HB2 SER A 70 3.138 -7.495 6.301 1.00 80.34 H new ATOM 0 HB3 SER A 70 2.278 -6.687 5.006 1.00 80.34 H new ATOM 0 HG SER A 70 0.655 -8.208 5.092 1.00 80.34 H new ATOM 1102 N ARG A 71 1.872 -9.903 3.052 1.00144.05 N ATOM 1103 CA ARG A 71 1.066 -10.244 1.886 1.00144.05 C ATOM 1104 C ARG A 71 -0.332 -9.638 1.954 1.00144.05 C ATOM 1105 O ARG A 71 -1.338 -10.349 1.904 1.00144.05 O ATOM 1106 CB ARG A 71 0.990 -11.760 1.716 1.00144.05 C ATOM 1107 CG ARG A 71 2.300 -12.376 1.256 1.00144.05 C ATOM 1108 CD ARG A 71 2.682 -11.899 -0.138 1.00144.05 C ATOM 1109 NE ARG A 71 3.789 -12.673 -0.697 1.00144.05 N ATOM 1110 CZ ARG A 71 3.693 -13.949 -1.074 1.00144.05 C ATOM 1111 NH1 ARG A 71 2.545 -14.609 -0.952 1.00144.05 N ATOM 1112 NH2 ARG A 71 4.751 -14.568 -1.579 1.00144.05 N ATOM 0 H ARG A 71 1.932 -10.636 3.759 1.00144.05 H new ATOM 0 HA ARG A 71 1.558 -9.814 1.014 1.00144.05 H new ATOM 0 HB2 ARG A 71 0.697 -12.211 2.664 1.00144.05 H new ATOM 0 HB3 ARG A 71 0.210 -12.000 0.994 1.00144.05 H new ATOM 0 HG2 ARG A 71 3.091 -12.118 1.960 1.00144.05 H new ATOM 0 HG3 ARG A 71 2.213 -13.463 1.259 1.00144.05 H new ATOM 0 HD2 ARG A 71 1.817 -11.975 -0.797 1.00144.05 H new ATOM 0 HD3 ARG A 71 2.960 -10.846 -0.097 1.00144.05 H new ATOM 0 HE ARG A 71 4.691 -12.209 -0.805 1.00144.05 H new ATOM 0 HH11 ARG A 71 1.725 -14.140 -0.567 1.00144.05 H new ATOM 0 HH12 ARG A 71 2.484 -15.584 -1.244 1.00144.05 H new ATOM 0 HH21 ARG A 71 5.635 -14.069 -1.678 1.00144.05 H new ATOM 0 HH22 ARG A 71 4.681 -15.544 -1.868 1.00144.05 H new ATOM 1126 N ARG A 72 -0.386 -8.315 2.042 1.00183.66 N ATOM 1127 CA ARG A 72 -1.652 -7.601 2.089 1.00183.66 C ATOM 1128 C ARG A 72 -1.543 -6.286 1.316 1.00183.66 C ATOM 1129 O ARG A 72 -1.588 -5.203 1.903 1.00183.66 O ATOM 1130 CB ARG A 72 -2.070 -7.343 3.535 1.00183.66 C ATOM 1131 CG ARG A 72 -2.765 -8.529 4.175 1.00183.66 C ATOM 1132 CD ARG A 72 -4.147 -8.756 3.585 1.00183.66 C ATOM 1133 NE ARG A 72 -5.149 -7.879 4.185 1.00183.66 N ATOM 1134 CZ ARG A 72 -6.397 -7.747 3.732 1.00183.66 C ATOM 1135 NH1 ARG A 72 -6.799 -8.417 2.655 1.00183.66 N ATOM 1136 NH2 ARG A 72 -7.242 -6.937 4.352 1.00183.66 N ATOM 0 H ARG A 72 0.437 -7.714 2.082 1.00183.66 H new ATOM 0 HA ARG A 72 -2.418 -8.218 1.620 1.00183.66 H new ATOM 0 HB2 ARG A 72 -1.188 -7.087 4.122 1.00183.66 H new ATOM 0 HB3 ARG A 72 -2.735 -6.480 3.566 1.00183.66 H new ATOM 0 HG2 ARG A 72 -2.159 -9.424 4.037 1.00183.66 H new ATOM 0 HG3 ARG A 72 -2.850 -8.365 5.249 1.00183.66 H new ATOM 0 HD2 ARG A 72 -4.114 -8.586 2.509 1.00183.66 H new ATOM 0 HD3 ARG A 72 -4.439 -9.796 3.735 1.00183.66 H new ATOM 0 HE ARG A 72 -4.877 -7.333 5.002 1.00183.66 H new ATOM 0 HH11 ARG A 72 -6.151 -9.037 2.169 1.00183.66 H new ATOM 0 HH12 ARG A 72 -7.755 -8.310 2.315 1.00183.66 H new ATOM 0 HH21 ARG A 72 -6.938 -6.415 5.174 1.00183.66 H new ATOM 0 HH22 ARG A 72 -8.196 -6.835 4.007 1.00183.66 H new ATOM 1150 N PRO A 73 -1.382 -6.365 -0.022 1.00130.67 N ATOM 1151 CA PRO A 73 -1.249 -5.181 -0.877 1.00130.67 C ATOM 1152 C PRO A 73 -2.452 -4.242 -0.814 1.00130.67 C ATOM 1153 O PRO A 73 -2.366 -3.102 -1.264 1.00130.67 O ATOM 1154 CB PRO A 73 -1.103 -5.761 -2.289 1.00130.67 C ATOM 1155 CG PRO A 73 -1.631 -7.146 -2.191 1.00130.67 C ATOM 1156 CD PRO A 73 -1.298 -7.609 -0.807 1.00130.67 C ATOM 0 HA PRO A 73 -0.407 -4.567 -0.558 1.00130.67 H new ATOM 0 HB2 PRO A 73 -1.664 -5.175 -3.017 1.00130.67 H new ATOM 0 HB3 PRO A 73 -0.062 -5.757 -2.612 1.00130.67 H new ATOM 0 HG2 PRO A 73 -2.707 -7.168 -2.363 1.00130.67 H new ATOM 0 HG3 PRO A 73 -1.175 -7.793 -2.941 1.00130.67 H new ATOM 0 HD2 PRO A 73 -2.002 -8.361 -0.451 1.00130.67 H new ATOM 0 HD3 PRO A 73 -0.304 -8.054 -0.757 1.00130.67 H new ATOM 1164 N ASP A 74 -3.571 -4.709 -0.263 1.00 56.92 N ATOM 1165 CA ASP A 74 -4.761 -3.867 -0.171 1.00 56.92 C ATOM 1166 C ASP A 74 -4.501 -2.691 0.754 1.00 56.92 C ATOM 1167 O ASP A 74 -4.866 -1.556 0.446 1.00 56.92 O ATOM 1168 CB ASP A 74 -5.960 -4.673 0.333 1.00 56.92 C ATOM 1169 CG ASP A 74 -6.387 -5.758 -0.637 1.00 56.92 C ATOM 1170 OD1 ASP A 74 -5.897 -5.758 -1.786 1.00 56.92 O ATOM 1171 OD2 ASP A 74 -7.212 -6.609 -0.247 1.00 56.92 O ATOM 0 H ASP A 74 -3.678 -5.648 0.120 1.00 56.92 H new ATOM 0 HA ASP A 74 -4.991 -3.492 -1.168 1.00 56.92 H new ATOM 0 HB2 ASP A 74 -5.710 -5.127 1.292 1.00 56.92 H new ATOM 0 HB3 ASP A 74 -6.798 -3.998 0.509 1.00 56.92 H new ATOM 1176 N LEU A 75 -3.841 -2.957 1.874 1.00 72.53 N ATOM 1177 CA LEU A 75 -3.506 -1.902 2.816 1.00 72.53 C ATOM 1178 C LEU A 75 -2.427 -1.021 2.212 1.00 72.53 C ATOM 1179 O LEU A 75 -2.527 0.203 2.219 1.00 72.53 O ATOM 1180 CB LEU A 75 -2.998 -2.487 4.129 1.00 72.53 C ATOM 1181 CG LEU A 75 -4.041 -3.196 4.996 1.00 72.53 C ATOM 1182 CD1 LEU A 75 -4.707 -4.322 4.220 1.00 72.53 C ATOM 1183 CD2 LEU A 75 -3.364 -3.739 6.242 1.00 72.53 C ATOM 0 H LEU A 75 -3.530 -3.888 2.149 1.00 72.53 H new ATOM 0 HA LEU A 75 -4.403 -1.318 3.020 1.00 72.53 H new ATOM 0 HB2 LEU A 75 -2.200 -3.195 3.904 1.00 72.53 H new ATOM 0 HB3 LEU A 75 -2.554 -1.682 4.715 1.00 72.53 H new ATOM 0 HG LEU A 75 -4.815 -2.484 5.283 1.00 72.53 H new ATOM 0 HD11 LEU A 75 -5.445 -4.814 4.854 1.00 72.53 H new ATOM 0 HD12 LEU A 75 -5.200 -3.914 3.338 1.00 72.53 H new ATOM 0 HD13 LEU A 75 -3.953 -5.047 3.912 1.00 72.53 H new ATOM 0 HD21 LEU A 75 -4.101 -4.246 6.865 1.00 72.53 H new ATOM 0 HD22 LEU A 75 -2.585 -4.445 5.954 1.00 72.53 H new ATOM 0 HD23 LEU A 75 -2.919 -2.916 6.802 1.00 72.53 H new ATOM 1195 N LEU A 76 -1.397 -1.673 1.669 1.00 57.08 N ATOM 1196 CA LEU A 76 -0.285 -0.975 1.033 1.00 57.08 C ATOM 1197 C LEU A 76 -0.790 -0.026 -0.041 1.00 57.08 C ATOM 1198 O LEU A 76 -0.327 1.104 -0.155 1.00 57.08 O ATOM 1199 CB LEU A 76 0.677 -1.978 0.399 1.00 57.08 C ATOM 1200 CG LEU A 76 1.962 -1.364 -0.173 1.00 57.08 C ATOM 1201 CD1 LEU A 76 3.175 -1.798 0.634 1.00 57.08 C ATOM 1202 CD2 LEU A 76 2.130 -1.735 -1.641 1.00 57.08 C ATOM 0 H LEU A 76 -1.313 -2.689 1.659 1.00 57.08 H new ATOM 0 HA LEU A 76 0.236 -0.403 1.801 1.00 57.08 H new ATOM 0 HB2 LEU A 76 0.949 -2.723 1.147 1.00 57.08 H new ATOM 0 HB3 LEU A 76 0.156 -2.505 -0.400 1.00 57.08 H new ATOM 0 HG LEU A 76 1.879 -0.279 -0.103 1.00 57.08 H new ATOM 0 HD11 LEU A 76 4.074 -1.350 0.210 1.00 57.08 H new ATOM 0 HD12 LEU A 76 3.060 -1.471 1.668 1.00 57.08 H new ATOM 0 HD13 LEU A 76 3.262 -2.884 0.604 1.00 57.08 H new ATOM 0 HD21 LEU A 76 3.047 -1.289 -2.026 1.00 57.08 H new ATOM 0 HD22 LEU A 76 2.185 -2.819 -1.738 1.00 57.08 H new ATOM 0 HD23 LEU A 76 1.278 -1.362 -2.210 1.00 57.08 H new ATOM 1214 N THR A 77 -1.752 -0.503 -0.822 1.00 38.46 N ATOM 1215 CA THR A 77 -2.340 0.280 -1.887 1.00 38.46 C ATOM 1216 C THR A 77 -2.915 1.587 -1.359 1.00 38.46 C ATOM 1217 O THR A 77 -2.753 2.633 -1.977 1.00 38.46 O ATOM 1218 CB THR A 77 -3.450 -0.522 -2.587 1.00 38.46 C ATOM 1219 OG1 THR A 77 -2.897 -1.687 -3.211 1.00 38.46 O ATOM 1220 CG2 THR A 77 -4.179 0.317 -3.626 1.00 38.46 C ATOM 0 H THR A 77 -2.141 -1.441 -0.730 1.00 38.46 H new ATOM 0 HA THR A 77 -1.551 0.513 -2.602 1.00 38.46 H new ATOM 0 HB THR A 77 -4.171 -0.820 -1.826 1.00 38.46 H new ATOM 0 HG1 THR A 77 -2.441 -2.234 -2.537 1.00 38.46 H new ATOM 0 HG21 THR A 77 -4.956 -0.284 -4.099 1.00 38.46 H new ATOM 0 HG22 THR A 77 -4.633 1.181 -3.142 1.00 38.46 H new ATOM 0 HG23 THR A 77 -3.471 0.655 -4.382 1.00 38.46 H new ATOM 1228 N MET A 78 -3.602 1.523 -0.227 1.00 70.15 N ATOM 1229 CA MET A 78 -4.194 2.718 0.340 1.00 70.15 C ATOM 1230 C MET A 78 -3.106 3.690 0.760 1.00 70.15 C ATOM 1231 O MET A 78 -3.221 4.895 0.547 1.00 70.15 O ATOM 1232 CB MET A 78 -5.093 2.360 1.518 1.00 70.15 C ATOM 1233 CG MET A 78 -6.199 1.393 1.126 1.00 70.15 C ATOM 1234 SD MET A 78 -7.510 1.286 2.357 1.00 70.15 S ATOM 1235 CE MET A 78 -8.445 2.766 1.979 1.00 70.15 C ATOM 0 H MET A 78 -3.760 0.669 0.307 1.00 70.15 H new ATOM 0 HA MET A 78 -4.811 3.201 -0.418 1.00 70.15 H new ATOM 0 HB2 MET A 78 -4.490 1.917 2.311 1.00 70.15 H new ATOM 0 HB3 MET A 78 -5.536 3.270 1.924 1.00 70.15 H new ATOM 0 HG2 MET A 78 -6.627 1.706 0.174 1.00 70.15 H new ATOM 0 HG3 MET A 78 -5.771 0.403 0.973 1.00 70.15 H new ATOM 0 HE1 MET A 78 -9.428 2.705 2.446 1.00 70.15 H new ATOM 0 HE2 MET A 78 -7.915 3.639 2.361 1.00 70.15 H new ATOM 0 HE3 MET A 78 -8.562 2.857 0.899 1.00 70.15 H new ATOM 1245 N VAL A 79 -2.035 3.146 1.323 1.00 44.32 N ATOM 1246 CA VAL A 79 -0.904 3.950 1.745 1.00 44.32 C ATOM 1247 C VAL A 79 -0.184 4.495 0.518 1.00 44.32 C ATOM 1248 O VAL A 79 0.160 5.674 0.449 1.00 44.32 O ATOM 1249 CB VAL A 79 0.078 3.104 2.579 1.00 44.32 C ATOM 1250 CG1 VAL A 79 1.226 3.952 3.090 1.00 44.32 C ATOM 1251 CG2 VAL A 79 -0.648 2.412 3.721 1.00 44.32 C ATOM 0 H VAL A 79 -1.929 2.147 1.497 1.00 44.32 H new ATOM 0 HA VAL A 79 -1.269 4.774 2.359 1.00 44.32 H new ATOM 0 HB VAL A 79 0.500 2.334 1.933 1.00 44.32 H new ATOM 0 HG11 VAL A 79 1.904 3.331 3.675 1.00 44.32 H new ATOM 0 HG12 VAL A 79 1.765 4.382 2.246 1.00 44.32 H new ATOM 0 HG13 VAL A 79 0.835 4.753 3.717 1.00 44.32 H new ATOM 0 HG21 VAL A 79 0.062 1.820 4.298 1.00 44.32 H new ATOM 0 HG22 VAL A 79 -1.106 3.160 4.368 1.00 44.32 H new ATOM 0 HG23 VAL A 79 -1.422 1.759 3.318 1.00 44.32 H new ATOM 1261 N VAL A 80 0.017 3.615 -0.454 1.00 90.77 N ATOM 1262 CA VAL A 80 0.670 3.969 -1.704 1.00 90.77 C ATOM 1263 C VAL A 80 -0.161 4.993 -2.469 1.00 90.77 C ATOM 1264 O VAL A 80 0.342 6.026 -2.903 1.00 90.77 O ATOM 1265 CB VAL A 80 0.857 2.711 -2.587 1.00 90.77 C ATOM 1266 CG1 VAL A 80 1.435 3.079 -3.953 1.00 90.77 C ATOM 1267 CG2 VAL A 80 1.730 1.679 -1.878 1.00 90.77 C ATOM 0 H VAL A 80 -0.268 2.637 -0.397 1.00 90.77 H new ATOM 0 HA VAL A 80 1.644 4.398 -1.467 1.00 90.77 H new ATOM 0 HB VAL A 80 -0.124 2.265 -2.754 1.00 90.77 H new ATOM 0 HG11 VAL A 80 1.556 2.176 -4.552 1.00 90.77 H new ATOM 0 HG12 VAL A 80 0.757 3.764 -4.462 1.00 90.77 H new ATOM 0 HG13 VAL A 80 2.405 3.559 -3.820 1.00 90.77 H new ATOM 0 HG21 VAL A 80 1.849 0.803 -2.516 1.00 90.77 H new ATOM 0 HG22 VAL A 80 2.709 2.112 -1.670 1.00 90.77 H new ATOM 0 HG23 VAL A 80 1.257 1.384 -0.941 1.00 90.77 H new ATOM 1277 N ASP A 81 -1.438 4.684 -2.632 1.00 37.97 N ATOM 1278 CA ASP A 81 -2.348 5.561 -3.344 1.00 37.97 C ATOM 1279 C ASP A 81 -2.450 6.897 -2.631 1.00 37.97 C ATOM 1280 O ASP A 81 -2.492 7.949 -3.268 1.00 37.97 O ATOM 1281 CB ASP A 81 -3.729 4.906 -3.468 1.00 37.97 C ATOM 1282 CG ASP A 81 -3.713 3.677 -4.359 1.00 37.97 C ATOM 1283 OD1 ASP A 81 -2.690 3.444 -5.038 1.00 37.97 O ATOM 1284 OD2 ASP A 81 -4.725 2.945 -4.377 1.00 37.97 O ATOM 0 H ASP A 81 -1.867 3.829 -2.279 1.00 37.97 H new ATOM 0 HA ASP A 81 -1.960 5.734 -4.348 1.00 37.97 H new ATOM 0 HB2 ASP A 81 -4.085 4.627 -2.476 1.00 37.97 H new ATOM 0 HB3 ASP A 81 -4.437 5.632 -3.869 1.00 37.97 H new ATOM 1289 N TYR A 82 -2.462 6.856 -1.302 1.00130.70 N ATOM 1290 CA TYR A 82 -2.529 8.073 -0.521 1.00130.70 C ATOM 1291 C TYR A 82 -1.293 8.927 -0.764 1.00130.70 C ATOM 1292 O TYR A 82 -1.387 10.146 -0.909 1.00130.70 O ATOM 1293 CB TYR A 82 -2.653 7.726 0.967 1.00130.70 C ATOM 1294 CG TYR A 82 -2.220 8.835 1.907 1.00130.70 C ATOM 1295 CD1 TYR A 82 -0.868 9.085 2.130 1.00130.70 C ATOM 1296 CD2 TYR A 82 -3.144 9.633 2.547 1.00130.70 C ATOM 1297 CE1 TYR A 82 -0.460 10.095 2.966 1.00130.70 C ATOM 1298 CE2 TYR A 82 -2.739 10.640 3.387 1.00130.70 C ATOM 1299 CZ TYR A 82 -1.399 10.871 3.592 1.00130.70 C ATOM 1300 OH TYR A 82 -1.002 11.892 4.417 1.00130.70 O ATOM 0 H TYR A 82 -2.426 5.997 -0.753 1.00130.70 H new ATOM 0 HA TYR A 82 -3.406 8.644 -0.827 1.00130.70 H new ATOM 0 HB2 TYR A 82 -3.690 7.468 1.182 1.00130.70 H new ATOM 0 HB3 TYR A 82 -2.055 6.838 1.172 1.00130.70 H new ATOM 0 HD1 TYR A 82 -0.127 8.473 1.636 1.00130.70 H new ATOM 0 HD2 TYR A 82 -4.198 9.464 2.386 1.00130.70 H new ATOM 0 HE1 TYR A 82 0.592 10.276 3.128 1.00130.70 H new ATOM 0 HE2 TYR A 82 -3.474 11.252 3.888 1.00130.70 H new ATOM 0 HH TYR A 82 -0.058 11.775 4.652 1.00130.70 H new ATOM 1310 N ARG A 83 -0.128 8.277 -0.780 1.00265.02 N ATOM 1311 CA ARG A 83 1.137 8.976 -0.977 1.00265.02 C ATOM 1312 C ARG A 83 1.034 9.914 -2.162 1.00265.02 C ATOM 1313 O ARG A 83 1.304 11.094 -2.041 1.00265.02 O ATOM 1314 CB ARG A 83 2.269 7.943 -1.175 1.00265.02 C ATOM 1315 CG ARG A 83 3.544 8.480 -1.830 1.00265.02 C ATOM 1316 CD ARG A 83 3.734 7.884 -3.220 1.00265.02 C ATOM 1317 NE ARG A 83 5.120 7.978 -3.680 1.00265.02 N ATOM 1318 CZ ARG A 83 6.127 7.264 -3.175 1.00265.02 C ATOM 1319 NH1 ARG A 83 5.917 6.407 -2.181 1.00265.02 N ATOM 1320 NH2 ARG A 83 7.351 7.410 -3.667 1.00265.02 N ATOM 0 H ARG A 83 -0.037 7.268 -0.659 1.00265.02 H new ATOM 0 HA ARG A 83 1.367 9.576 -0.097 1.00265.02 H new ATOM 0 HB2 ARG A 83 2.529 7.525 -0.203 1.00265.02 H new ATOM 0 HB3 ARG A 83 1.887 7.123 -1.783 1.00265.02 H new ATOM 0 HG2 ARG A 83 3.492 9.567 -1.900 1.00265.02 H new ATOM 0 HG3 ARG A 83 4.406 8.242 -1.207 1.00265.02 H new ATOM 0 HD2 ARG A 83 3.427 6.838 -3.209 1.00265.02 H new ATOM 0 HD3 ARG A 83 3.083 8.400 -3.926 1.00265.02 H new ATOM 0 HE ARG A 83 5.329 8.631 -4.435 1.00265.02 H new ATOM 0 HH11 ARG A 83 4.979 6.291 -1.797 1.00265.02 H new ATOM 0 HH12 ARG A 83 6.694 5.866 -1.802 1.00265.02 H new ATOM 0 HH21 ARG A 83 7.519 8.067 -4.429 1.00265.02 H new ATOM 0 HH22 ARG A 83 8.123 6.865 -3.283 1.00265.02 H new ATOM 1334 N THR A 84 0.610 9.381 -3.286 1.00259.68 N ATOM 1335 CA THR A 84 0.452 10.170 -4.478 1.00259.68 C ATOM 1336 C THR A 84 -0.759 11.101 -4.405 1.00259.68 C ATOM 1337 O THR A 84 -0.701 12.241 -4.867 1.00259.68 O ATOM 1338 CB THR A 84 0.309 9.259 -5.699 1.00259.68 C ATOM 1339 OG1 THR A 84 1.462 8.415 -5.815 1.00259.68 O ATOM 1340 CG2 THR A 84 0.148 10.088 -6.953 1.00259.68 C ATOM 0 H THR A 84 0.368 8.396 -3.395 1.00259.68 H new ATOM 0 HA THR A 84 1.346 10.787 -4.569 1.00259.68 H new ATOM 0 HB THR A 84 -0.577 8.637 -5.573 1.00259.68 H new ATOM 0 HG1 THR A 84 1.364 7.833 -6.597 1.00259.68 H new ATOM 0 HG21 THR A 84 0.047 9.428 -7.815 1.00259.68 H new ATOM 0 HG22 THR A 84 -0.743 10.710 -6.866 1.00259.68 H new ATOM 0 HG23 THR A 84 1.023 10.724 -7.083 1.00259.68 H new ATOM 1348 N ARG A 85 -1.864 10.599 -3.875 1.00220.68 N ATOM 1349 CA ARG A 85 -3.083 11.390 -3.814 1.00220.68 C ATOM 1350 C ARG A 85 -2.884 12.640 -2.949 1.00220.68 C ATOM 1351 O ARG A 85 -3.269 13.743 -3.342 1.00220.68 O ATOM 1352 CB ARG A 85 -4.261 10.517 -3.328 1.00220.68 C ATOM 1353 CG ARG A 85 -4.509 10.528 -1.828 1.00220.68 C ATOM 1354 CD ARG A 85 -5.345 11.723 -1.420 1.00220.68 C ATOM 1355 NE ARG A 85 -6.278 11.389 -0.344 1.00220.68 N ATOM 1356 CZ ARG A 85 -7.443 12.003 -0.138 1.00220.68 C ATOM 1357 NH1 ARG A 85 -7.817 13.026 -0.897 1.00220.68 N ATOM 1358 NH2 ARG A 85 -8.239 11.593 0.843 1.00220.68 N ATOM 0 H ARG A 85 -1.942 9.660 -3.486 1.00220.68 H new ATOM 0 HA ARG A 85 -3.329 11.742 -4.816 1.00220.68 H new ATOM 0 HB2 ARG A 85 -5.169 10.850 -3.831 1.00220.68 H new ATOM 0 HB3 ARG A 85 -4.082 9.489 -3.641 1.00220.68 H new ATOM 0 HG2 ARG A 85 -5.016 9.609 -1.534 1.00220.68 H new ATOM 0 HG3 ARG A 85 -3.556 10.550 -1.299 1.00220.68 H new ATOM 0 HD2 ARG A 85 -4.690 12.532 -1.096 1.00220.68 H new ATOM 0 HD3 ARG A 85 -5.901 12.090 -2.283 1.00220.68 H new ATOM 0 HE ARG A 85 -6.019 10.635 0.292 1.00220.68 H new ATOM 0 HH11 ARG A 85 -7.210 13.352 -1.649 1.00220.68 H new ATOM 0 HH12 ARG A 85 -8.711 13.486 -0.728 1.00220.68 H new ATOM 0 HH21 ARG A 85 -7.958 10.811 1.435 1.00220.68 H new ATOM 0 HH22 ARG A 85 -9.131 12.060 1.004 1.00220.68 H new ATOM 1372 N VAL A 86 -2.248 12.474 -1.797 1.00 63.58 N ATOM 1373 CA VAL A 86 -1.973 13.607 -0.925 1.00 63.58 C ATOM 1374 C VAL A 86 -0.803 14.408 -1.502 1.00 63.58 C ATOM 1375 O VAL A 86 -0.746 15.624 -1.361 1.00 63.58 O ATOM 1376 CB VAL A 86 -1.705 13.165 0.536 1.00 63.58 C ATOM 1377 CG1 VAL A 86 -1.223 14.333 1.393 1.00 63.58 C ATOM 1378 CG2 VAL A 86 -2.977 12.563 1.123 1.00 63.58 C ATOM 0 H VAL A 86 -1.916 11.575 -1.447 1.00 63.58 H new ATOM 0 HA VAL A 86 -2.856 14.245 -0.886 1.00 63.58 H new ATOM 0 HB VAL A 86 -0.914 12.415 0.532 1.00 63.58 H new ATOM 0 HG11 VAL A 86 -1.045 13.988 2.411 1.00 63.58 H new ATOM 0 HG12 VAL A 86 -0.297 14.731 0.978 1.00 63.58 H new ATOM 0 HG13 VAL A 86 -1.982 15.115 1.403 1.00 63.58 H new ATOM 0 HG21 VAL A 86 -2.791 12.251 2.151 1.00 63.58 H new ATOM 0 HG22 VAL A 86 -3.773 13.308 1.108 1.00 63.58 H new ATOM 0 HG23 VAL A 86 -3.278 11.699 0.530 1.00 63.58 H new ATOM 1583 N LEU A 99 17.578 26.629 -0.871 1.00281.45 N ATOM 1584 CA LEU A 99 17.712 28.072 -1.033 1.00281.45 C ATOM 1585 C LEU A 99 16.577 28.815 -0.320 1.00281.45 C ATOM 1586 O LEU A 99 15.441 28.341 -0.287 1.00281.45 O ATOM 1587 CB LEU A 99 17.713 28.435 -2.517 1.00281.45 C ATOM 1588 CG LEU A 99 18.694 27.671 -3.399 1.00281.45 C ATOM 1589 CD1 LEU A 99 18.622 28.199 -4.826 1.00281.45 C ATOM 1590 CD2 LEU A 99 20.107 27.794 -2.853 1.00281.45 C ATOM 0 HA LEU A 99 18.658 28.376 -0.584 1.00281.45 H new ATOM 0 HB2 LEU A 99 16.708 28.278 -2.908 1.00281.45 H new ATOM 0 HB3 LEU A 99 17.928 29.500 -2.609 1.00281.45 H new ATOM 0 HG LEU A 99 18.422 26.615 -3.400 1.00281.45 H new ATOM 0 HD11 LEU A 99 19.325 27.650 -5.453 1.00281.45 H new ATOM 0 HD12 LEU A 99 17.611 28.067 -5.212 1.00281.45 H new ATOM 0 HD13 LEU A 99 18.878 29.258 -4.835 1.00281.45 H new ATOM 0 HD21 LEU A 99 20.794 27.243 -3.495 1.00281.45 H new ATOM 0 HD22 LEU A 99 20.397 28.844 -2.828 1.00281.45 H new ATOM 0 HD23 LEU A 99 20.144 27.383 -1.844 1.00281.45 H new ATOM 1602 N THR A 100 16.895 29.979 0.250 1.00235.89 N ATOM 1603 CA THR A 100 15.904 30.787 0.969 1.00235.89 C ATOM 1604 C THR A 100 15.174 31.775 0.046 1.00235.89 C ATOM 1605 O THR A 100 14.083 31.481 -0.441 1.00235.89 O ATOM 1606 CB THR A 100 16.568 31.552 2.126 1.00235.89 C ATOM 1607 OG1 THR A 100 17.565 32.446 1.614 1.00235.89 O ATOM 1608 CG2 THR A 100 17.212 30.582 3.095 1.00235.89 C ATOM 0 H THR A 100 17.831 30.384 0.228 1.00235.89 H new ATOM 0 HA THR A 100 15.162 30.095 1.366 1.00235.89 H new ATOM 0 HB THR A 100 15.802 32.124 2.649 1.00235.89 H new ATOM 0 HG1 THR A 100 18.432 32.235 2.018 1.00235.89 H new ATOM 0 HG21 THR A 100 17.678 31.137 3.909 1.00235.89 H new ATOM 0 HG22 THR A 100 16.452 29.914 3.500 1.00235.89 H new ATOM 0 HG23 THR A 100 17.970 29.997 2.574 1.00235.89 H new ATOM 1616 N ARG A 101 15.786 32.936 -0.203 1.00326.00 N ATOM 1617 CA ARG A 101 15.193 33.947 -1.083 1.00326.00 C ATOM 1618 C ARG A 101 15.760 33.811 -2.492 1.00326.00 C ATOM 1619 O ARG A 101 16.950 34.036 -2.711 1.00326.00 O ATOM 1620 CB ARG A 101 15.450 35.352 -0.540 1.00326.00 C ATOM 1621 CG ARG A 101 15.170 35.484 0.949 1.00326.00 C ATOM 1622 CD ARG A 101 16.330 34.969 1.778 1.00326.00 C ATOM 1623 NE ARG A 101 16.631 35.845 2.910 1.00326.00 N ATOM 1624 CZ ARG A 101 17.412 35.499 3.935 1.00326.00 C ATOM 1625 NH1 ARG A 101 17.977 34.299 3.980 1.00326.00 N ATOM 1626 NH2 ARG A 101 17.629 36.359 4.919 1.00326.00 N ATOM 0 H ARG A 101 16.689 33.199 0.191 1.00326.00 H new ATOM 0 HA ARG A 101 14.115 33.787 -1.119 1.00326.00 H new ATOM 0 HB2 ARG A 101 16.488 35.624 -0.733 1.00326.00 H new ATOM 0 HB3 ARG A 101 14.828 36.063 -1.084 1.00326.00 H new ATOM 0 HG2 ARG A 101 14.982 36.529 1.194 1.00326.00 H new ATOM 0 HG3 ARG A 101 14.266 34.930 1.201 1.00326.00 H new ATOM 0 HD2 ARG A 101 16.096 33.970 2.146 1.00326.00 H new ATOM 0 HD3 ARG A 101 17.214 34.878 1.146 1.00326.00 H new ATOM 0 HE ARG A 101 16.218 36.778 2.916 1.00326.00 H new ATOM 0 HH11 ARG A 101 17.816 33.631 3.226 1.00326.00 H new ATOM 0 HH12 ARG A 101 18.572 34.045 4.768 1.00326.00 H new ATOM 0 HH21 ARG A 101 17.199 37.284 4.892 1.00326.00 H new ATOM 0 HH22 ARG A 101 18.226 36.096 5.703 1.00326.00 H new ATOM 1640 N ILE A 102 14.914 33.409 -3.438 1.00164.55 N ATOM 1641 CA ILE A 102 15.356 33.202 -4.812 1.00164.55 C ATOM 1642 C ILE A 102 14.253 33.544 -5.813 1.00164.55 C ATOM 1643 O ILE A 102 13.784 32.681 -6.554 1.00164.55 O ATOM 1644 CB ILE A 102 15.815 31.745 -5.050 1.00164.55 C ATOM 1645 CG1 ILE A 102 16.708 31.270 -3.912 1.00164.55 C ATOM 1646 CG2 ILE A 102 16.546 31.634 -6.377 1.00164.55 C ATOM 1647 CD1 ILE A 102 15.947 30.852 -2.669 1.00164.55 C ATOM 0 H ILE A 102 13.924 33.221 -3.278 1.00164.55 H new ATOM 0 HA ILE A 102 16.202 33.872 -4.967 1.00164.55 H new ATOM 0 HB ILE A 102 14.932 31.107 -5.082 1.00164.55 H new ATOM 0 HG12 ILE A 102 17.307 30.428 -4.260 1.00164.55 H new ATOM 0 HG13 ILE A 102 17.402 32.069 -3.650 1.00164.55 H new ATOM 0 HG21 ILE A 102 16.864 30.603 -6.532 1.00164.55 H new ATOM 0 HG22 ILE A 102 15.880 31.934 -7.186 1.00164.55 H new ATOM 0 HG23 ILE A 102 17.420 32.285 -6.367 1.00164.55 H new ATOM 0 HD11 ILE A 102 16.651 30.526 -1.903 1.00164.55 H new ATOM 0 HD12 ILE A 102 15.369 31.697 -2.295 1.00164.55 H new ATOM 0 HD13 ILE A 102 15.273 30.032 -2.914 1.00164.55 H new ATOM 1659 N PRO A 103 13.824 34.816 -5.868 1.00 72.69 N ATOM 1660 CA PRO A 103 12.778 35.248 -6.798 1.00 72.69 C ATOM 1661 C PRO A 103 13.046 34.781 -8.225 1.00 72.69 C ATOM 1662 O PRO A 103 12.116 34.580 -9.009 1.00 72.69 O ATOM 1663 CB PRO A 103 12.846 36.771 -6.717 1.00 72.69 C ATOM 1664 CG PRO A 103 13.377 37.055 -5.356 1.00 72.69 C ATOM 1665 CD PRO A 103 14.324 35.930 -5.039 1.00 72.69 C ATOM 0 HA PRO A 103 11.803 34.834 -6.540 1.00 72.69 H new ATOM 0 HB2 PRO A 103 13.498 37.180 -7.489 1.00 72.69 H new ATOM 0 HB3 PRO A 103 11.863 37.219 -6.860 1.00 72.69 H new ATOM 0 HG2 PRO A 103 13.890 38.016 -5.330 1.00 72.69 H new ATOM 0 HG3 PRO A 103 12.570 37.104 -4.625 1.00 72.69 H new ATOM 0 HD2 PRO A 103 15.353 36.188 -5.291 1.00 72.69 H new ATOM 0 HD3 PRO A 103 14.309 35.679 -3.978 1.00 72.69 H new ATOM 1673 N SER A 104 14.323 34.587 -8.548 1.00159.85 N ATOM 1674 CA SER A 104 14.713 34.119 -9.871 1.00159.85 C ATOM 1675 C SER A 104 14.178 32.710 -10.111 1.00159.85 C ATOM 1676 O SER A 104 13.876 32.331 -11.243 1.00159.85 O ATOM 1677 CB SER A 104 16.237 34.142 -10.023 1.00159.85 C ATOM 1678 OG SER A 104 16.749 35.450 -9.830 1.00159.85 O ATOM 0 H SER A 104 15.103 34.747 -7.910 1.00159.85 H new ATOM 0 HA SER A 104 14.283 34.789 -10.615 1.00159.85 H new ATOM 0 HB2 SER A 104 16.688 33.461 -9.301 1.00159.85 H new ATOM 0 HB3 SER A 104 16.512 33.783 -11.015 1.00159.85 H new ATOM 0 HG SER A 104 17.724 35.438 -9.930 1.00159.85 H new ATOM 1684 N ALA A 105 14.067 31.939 -9.032 1.00293.58 N ATOM 1685 CA ALA A 105 13.575 30.571 -9.111 1.00293.58 C ATOM 1686 C ALA A 105 12.413 30.344 -8.149 1.00293.58 C ATOM 1687 O ALA A 105 11.270 30.157 -8.568 1.00293.58 O ATOM 1688 CB ALA A 105 14.699 29.600 -8.800 1.00293.58 C ATOM 0 H ALA A 105 14.313 32.243 -8.090 1.00293.58 H new ATOM 0 HA ALA A 105 13.214 30.399 -10.125 1.00293.58 H new ATOM 0 HB1 ALA A 105 14.324 28.578 -8.861 1.00293.58 H new ATOM 0 HB2 ALA A 105 15.506 29.734 -9.521 1.00293.58 H new ATOM 0 HB3 ALA A 105 15.076 29.789 -7.795 1.00293.58 H new ATOM 1694 N LYS A 106 12.724 30.356 -6.858 1.00328.40 N ATOM 1695 CA LYS A 106 11.724 30.147 -5.819 1.00328.40 C ATOM 1696 C LYS A 106 10.955 31.432 -5.545 1.00328.40 C ATOM 1697 O LYS A 106 11.520 32.523 -5.582 1.00328.40 O ATOM 1698 CB LYS A 106 12.398 29.668 -4.532 1.00328.40 C ATOM 1699 CG LYS A 106 13.410 28.552 -4.744 1.00328.40 C ATOM 1700 CD LYS A 106 12.800 27.191 -4.450 1.00328.40 C ATOM 1701 CE LYS A 106 12.045 26.650 -5.654 1.00328.40 C ATOM 1702 NZ LYS A 106 12.947 25.980 -6.636 1.00328.40 N ATOM 0 H LYS A 106 13.668 30.510 -6.505 1.00328.40 H new ATOM 0 HA LYS A 106 11.024 29.387 -6.166 1.00328.40 H new ATOM 0 HB2 LYS A 106 12.898 30.513 -4.059 1.00328.40 H new ATOM 0 HB3 LYS A 106 11.631 29.323 -3.839 1.00328.40 H new ATOM 0 HG2 LYS A 106 13.772 28.577 -5.772 1.00328.40 H new ATOM 0 HG3 LYS A 106 14.273 28.713 -4.098 1.00328.40 H new ATOM 0 HD2 LYS A 106 13.587 26.491 -4.167 1.00328.40 H new ATOM 0 HD3 LYS A 106 12.123 27.270 -3.599 1.00328.40 H new ATOM 0 HE2 LYS A 106 11.289 25.941 -5.317 1.00328.40 H new ATOM 0 HE3 LYS A 106 11.519 27.467 -6.147 1.00328.40 H new ATOM 0 HZ1 LYS A 106 12.387 25.628 -7.438 1.00328.40 H new ATOM 0 HZ2 LYS A 106 13.653 26.661 -6.980 1.00328.40 H new ATOM 0 HZ3 LYS A 106 13.431 25.183 -6.175 1.00328.40 H new ATOM 1716 N LYS A 107 9.663 31.302 -5.272 1.00281.61 N ATOM 1717 CA LYS A 107 8.832 32.466 -4.995 1.00281.61 C ATOM 1718 C LYS A 107 8.601 32.660 -3.504 1.00281.61 C ATOM 1719 O LYS A 107 8.430 31.703 -2.748 1.00281.61 O ATOM 1720 CB LYS A 107 7.499 32.360 -5.725 1.00281.61 C ATOM 1721 CG LYS A 107 7.658 32.267 -7.230 1.00281.61 C ATOM 1722 CD LYS A 107 8.096 33.594 -7.824 1.00281.61 C ATOM 1723 CE LYS A 107 6.910 34.510 -8.073 1.00281.61 C ATOM 1724 NZ LYS A 107 6.442 34.444 -9.485 1.00281.61 N ATOM 0 H LYS A 107 9.171 30.409 -5.237 1.00281.61 H new ATOM 0 HA LYS A 107 9.370 33.340 -5.362 1.00281.61 H new ATOM 0 HB2 LYS A 107 6.962 31.482 -5.366 1.00281.61 H new ATOM 0 HB3 LYS A 107 6.887 33.229 -5.482 1.00281.61 H new ATOM 0 HG2 LYS A 107 8.391 31.498 -7.473 1.00281.61 H new ATOM 0 HG3 LYS A 107 6.713 31.960 -7.679 1.00281.61 H new ATOM 0 HD2 LYS A 107 8.799 34.082 -7.149 1.00281.61 H new ATOM 0 HD3 LYS A 107 8.624 33.418 -8.761 1.00281.61 H new ATOM 0 HE2 LYS A 107 6.093 34.234 -7.407 1.00281.61 H new ATOM 0 HE3 LYS A 107 7.187 35.536 -7.830 1.00281.61 H new ATOM 0 HZ1 LYS A 107 5.632 35.084 -9.612 1.00281.61 H new ATOM 0 HZ2 LYS A 107 7.214 34.732 -10.120 1.00281.61 H new ATOM 0 HZ3 LYS A 107 6.153 33.471 -9.710 1.00281.61 H new ATOM 1738 N TYR A 108 8.594 33.920 -3.105 1.00309.62 N ATOM 1739 CA TYR A 108 8.384 34.317 -1.719 1.00309.62 C ATOM 1740 C TYR A 108 7.107 33.719 -1.137 1.00309.62 C ATOM 1741 O TYR A 108 6.061 33.713 -1.785 1.00309.62 O ATOM 1742 CB TYR A 108 8.279 35.837 -1.668 1.00309.62 C ATOM 1743 CG TYR A 108 7.085 36.343 -2.445 1.00309.62 C ATOM 1744 CD1 TYR A 108 7.161 36.561 -3.815 1.00309.62 C ATOM 1745 CD2 TYR A 108 5.878 36.576 -1.806 1.00309.62 C ATOM 1746 CE1 TYR A 108 6.063 37.007 -4.525 1.00309.62 C ATOM 1747 CE2 TYR A 108 4.774 37.019 -2.506 1.00309.62 C ATOM 1748 CZ TYR A 108 4.872 37.237 -3.868 1.00309.62 C ATOM 1749 OH TYR A 108 3.775 37.683 -4.572 1.00309.62 O ATOM 0 H TYR A 108 8.735 34.706 -3.739 1.00309.62 H new ATOM 0 HA TYR A 108 9.223 33.951 -1.128 1.00309.62 H new ATOM 0 HB2 TYR A 108 8.202 36.161 -0.630 1.00309.62 H new ATOM 0 HB3 TYR A 108 9.190 36.278 -2.073 1.00309.62 H new ATOM 0 HD1 TYR A 108 8.092 36.379 -4.332 1.00309.62 H new ATOM 0 HD2 TYR A 108 5.800 36.408 -0.742 1.00309.62 H new ATOM 0 HE1 TYR A 108 6.137 37.175 -5.589 1.00309.62 H new ATOM 0 HE2 TYR A 108 3.840 37.194 -1.993 1.00309.62 H new ATOM 0 HH TYR A 108 3.017 37.794 -3.961 1.00309.62 H new ATOM 1759 N LYS A 109 7.191 33.254 0.100 1.00276.51 N ATOM 1760 CA LYS A 109 6.030 32.696 0.776 1.00276.51 C ATOM 1761 C LYS A 109 5.467 33.666 1.801 1.00276.51 C ATOM 1762 O LYS A 109 4.727 33.269 2.702 1.00276.51 O ATOM 1763 CB LYS A 109 6.381 31.371 1.425 1.00276.51 C ATOM 1764 CG LYS A 109 7.030 30.409 0.453 1.00276.51 C ATOM 1765 CD LYS A 109 7.292 29.064 1.104 1.00276.51 C ATOM 1766 CE LYS A 109 5.995 28.411 1.556 1.00276.51 C ATOM 1767 NZ LYS A 109 6.175 26.964 1.850 1.00276.51 N ATOM 0 H LYS A 109 8.047 33.252 0.654 1.00276.51 H new ATOM 0 HA LYS A 109 5.257 32.522 0.028 1.00276.51 H new ATOM 0 HB2 LYS A 109 7.055 31.547 2.263 1.00276.51 H new ATOM 0 HB3 LYS A 109 5.477 30.918 1.832 1.00276.51 H new ATOM 0 HG2 LYS A 109 6.385 30.276 -0.416 1.00276.51 H new ATOM 0 HG3 LYS A 109 7.968 30.830 0.092 1.00276.51 H new ATOM 0 HD2 LYS A 109 7.806 28.410 0.400 1.00276.51 H new ATOM 0 HD3 LYS A 109 7.955 29.194 1.960 1.00276.51 H new ATOM 0 HE2 LYS A 109 5.624 28.919 2.446 1.00276.51 H new ATOM 0 HE3 LYS A 109 5.238 28.533 0.781 1.00276.51 H new ATOM 0 HZ1 LYS A 109 5.268 26.556 2.155 1.00276.51 H new ATOM 0 HZ2 LYS A 109 6.505 26.474 0.994 1.00276.51 H new ATOM 0 HZ3 LYS A 109 6.878 26.848 2.607 1.00276.51 H new ATOM 1781 N ASP A 110 5.790 34.947 1.643 1.00203.92 N ATOM 1782 CA ASP A 110 5.284 35.979 2.538 1.00203.92 C ATOM 1783 C ASP A 110 3.756 35.935 2.555 1.00203.92 C ATOM 1784 O ASP A 110 3.119 36.254 3.558 1.00203.92 O ATOM 1785 CB ASP A 110 5.775 37.354 2.082 1.00203.92 C ATOM 1786 CG ASP A 110 7.284 37.485 2.184 1.00203.92 C ATOM 1787 OD1 ASP A 110 7.880 36.821 3.059 1.00203.92 O ATOM 1788 OD2 ASP A 110 7.870 38.252 1.392 1.00203.92 O ATOM 0 H ASP A 110 6.400 35.293 0.903 1.00203.92 H new ATOM 0 HA ASP A 110 5.655 35.798 3.547 1.00203.92 H new ATOM 0 HB2 ASP A 110 5.466 37.525 1.051 1.00203.92 H new ATOM 0 HB3 ASP A 110 5.303 38.127 2.689 1.00203.92 H new ATOM 1793 N ILE A 111 3.188 35.507 1.430 1.00 50.97 N ATOM 1794 CA ILE A 111 1.756 35.377 1.283 1.00 50.97 C ATOM 1795 C ILE A 111 1.335 33.977 1.748 1.00 50.97 C ATOM 1796 O ILE A 111 2.083 33.015 1.573 1.00 50.97 O ATOM 1797 CB ILE A 111 1.366 35.659 -0.200 1.00 50.97 C ATOM 1798 CG1 ILE A 111 1.368 37.172 -0.479 1.00 50.97 C ATOM 1799 CG2 ILE A 111 0.015 35.063 -0.567 1.00 50.97 C ATOM 1800 CD1 ILE A 111 2.574 37.915 0.063 1.00 50.97 C ATOM 0 H ILE A 111 3.716 35.242 0.598 1.00 50.97 H new ATOM 0 HA ILE A 111 1.228 36.103 1.901 1.00 50.97 H new ATOM 0 HB ILE A 111 2.117 35.174 -0.824 1.00 50.97 H new ATOM 0 HG12 ILE A 111 1.316 37.329 -1.556 1.00 50.97 H new ATOM 0 HG13 ILE A 111 0.466 37.608 -0.049 1.00 50.97 H new ATOM 0 HG21 ILE A 111 -0.210 35.287 -1.610 1.00 50.97 H new ATOM 0 HG22 ILE A 111 0.044 33.983 -0.426 1.00 50.97 H new ATOM 0 HG23 ILE A 111 -0.757 35.492 0.071 1.00 50.97 H new ATOM 0 HD11 ILE A 111 2.489 38.974 -0.181 1.00 50.97 H new ATOM 0 HD12 ILE A 111 2.619 37.795 1.145 1.00 50.97 H new ATOM 0 HD13 ILE A 111 3.482 37.511 -0.385 1.00 50.97 H new ATOM 1812 N ILE A 112 0.155 33.864 2.350 1.00108.96 N ATOM 1813 CA ILE A 112 -0.310 32.567 2.837 1.00108.96 C ATOM 1814 C ILE A 112 -1.000 31.792 1.725 1.00108.96 C ATOM 1815 O ILE A 112 -1.935 32.286 1.095 1.00108.96 O ATOM 1816 CB ILE A 112 -1.286 32.710 4.026 1.00108.96 C ATOM 1817 CG1 ILE A 112 -0.705 33.631 5.101 1.00108.96 C ATOM 1818 CG2 ILE A 112 -1.598 31.341 4.615 1.00108.96 C ATOM 1819 CD1 ILE A 112 0.628 33.168 5.653 1.00108.96 C ATOM 0 H ILE A 112 -0.488 34.639 2.511 1.00108.96 H new ATOM 0 HA ILE A 112 0.573 32.025 3.176 1.00108.96 H new ATOM 0 HB ILE A 112 -2.210 33.157 3.660 1.00108.96 H new ATOM 0 HG12 ILE A 112 -0.586 34.631 4.683 1.00108.96 H new ATOM 0 HG13 ILE A 112 -1.419 33.711 5.921 1.00108.96 H new ATOM 0 HG21 ILE A 112 -2.287 31.454 5.452 1.00108.96 H new ATOM 0 HG22 ILE A 112 -2.055 30.712 3.851 1.00108.96 H new ATOM 0 HG23 ILE A 112 -0.676 30.876 4.964 1.00108.96 H new ATOM 0 HD11 ILE A 112 0.973 33.873 6.409 1.00108.96 H new ATOM 0 HD12 ILE A 112 0.513 32.182 6.102 1.00108.96 H new ATOM 0 HD13 ILE A 112 1.358 33.116 4.845 1.00108.96 H new