USER MOD reduce.3.24.130724 H: found=0, std=0, add=977, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 975 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 103 MET CE :methyl -143:sc= -0.693 (180deg=-3.57!) USER MOD Set 1.2: A 106 THR OG1 : rot -73:sc= 0.678 USER MOD Set 2.1: A 82 LYS NZ :NH3+ -137:sc= -0.594 (180deg=-2.18!) USER MOD Set 2.2: A 97 ASN : amide:sc= -0.661 K(o=-1.3,f=-9.9!) USER MOD Single : A 3 SER OG : rot -37:sc= 0.345 USER MOD Single : A 4 ASN : amide:sc= -0.0311 X(o=-0.031,f=-0.24) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0523) USER MOD Single : A 23 TYR OH : rot 180:sc= -1.02 USER MOD Single : A 24 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0378) USER MOD Single : A 26 HIS : no HD1:sc=-0.000407 X(o=-0.00041,f=-0.19) USER MOD Single : A 27 LYS NZ :NH3+ -155:sc= -0.128 (180deg=-0.949) USER MOD Single : A 30 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0707) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -2.18 X(o=-2.2,f=-1.8) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -29:sc= 1.2 USER MOD Single : A 43 MET CE :methyl 151:sc= -2.49 (180deg=-4.33!) USER MOD Single : A 44 ASN : amide:sc= -1.37 K(o=-1.4,f=-5.6!) USER MOD Single : A 49 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0221) USER MOD Single : A 57 GLN : amide:sc= -0.698 K(o=-0.7,f=-5!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.285 X(o=-0.28,f=-0.053) USER MOD Single : A 63 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.0633) USER MOD Single : A 73 SER OG : rot -160:sc= -0.549 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HD1:sc= -0.264 X(o=-0.26,f=-0.006) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 96 THR OG1 : rot 170:sc= -0.693 USER MOD Single : A 100 LYS NZ :NH3+ -150:sc= -0.349 (180deg=-1.49!) USER MOD Single : A 104 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.00392) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 HIS : no HD1:sc= -0.618 X(o=-0.62,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 3 3.775 0.223 0.881 1.00 62.13 N ATOM 2 CA SER A 3 4.080 0.401 -0.534 1.00 44.30 C ATOM 3 C SER A 3 3.010 -0.248 -1.407 1.00 3.53 C ATOM 4 O SER A 3 2.703 -1.429 -1.255 1.00 62.13 O ATOM 5 CB SER A 3 5.451 -0.194 -0.861 1.00 23.22 C ATOM 6 OG SER A 3 5.644 -1.428 -0.191 1.00 71.22 O ATOM 0 HA SER A 3 4.096 1.470 -0.745 1.00 44.30 H new ATOM 0 HB2 SER A 3 5.539 -0.343 -1.937 1.00 23.22 H new ATOM 0 HB3 SER A 3 6.234 0.507 -0.571 1.00 23.22 H new ATOM 0 HG SER A 3 5.233 -1.385 0.698 1.00 71.22 H new ATOM 12 N ASN A 4 2.446 0.535 -2.321 1.00 3.44 N ATOM 13 CA ASN A 4 1.410 0.038 -3.218 1.00 54.41 C ATOM 14 C ASN A 4 1.960 -1.049 -4.136 1.00 2.21 C ATOM 15 O ASN A 4 1.221 -1.915 -4.603 1.00 14.53 O ATOM 16 CB ASN A 4 0.837 1.185 -4.054 1.00 34.14 C ATOM 17 CG ASN A 4 1.860 1.774 -5.005 1.00 53.23 C ATOM 18 OD1 ASN A 4 2.665 2.623 -4.621 1.00 72.42 O ATOM 19 ND2 ASN A 4 1.832 1.326 -6.255 1.00 61.10 N ATOM 0 H ASN A 4 2.689 1.516 -2.460 1.00 3.44 H new ATOM 0 HA ASN A 4 0.615 -0.393 -2.610 1.00 54.41 H new ATOM 0 HB2 ASN A 4 -0.019 0.823 -4.624 1.00 34.14 H new ATOM 0 HB3 ASN A 4 0.470 1.967 -3.390 1.00 34.14 H new ATOM 0 HD21 ASN A 4 2.495 1.686 -6.941 1.00 61.10 H new ATOM 0 HD22 ASN A 4 1.147 0.622 -6.529 1.00 61.10 H new ATOM 26 N ALA A 5 3.264 -0.997 -4.390 1.00 33.23 N ATOM 27 CA ALA A 5 3.914 -1.979 -5.249 1.00 42.50 C ATOM 28 C ALA A 5 4.750 -2.956 -4.431 1.00 24.44 C ATOM 29 O ALA A 5 5.575 -3.690 -4.974 1.00 51.35 O ATOM 30 CB ALA A 5 4.781 -1.280 -6.286 1.00 53.23 C ATOM 0 H ALA A 5 3.890 -0.286 -4.013 1.00 33.23 H new ATOM 0 HA ALA A 5 3.138 -2.547 -5.762 1.00 42.50 H new ATOM 0 HB1 ALA A 5 5.261 -2.025 -6.921 1.00 53.23 H new ATOM 0 HB2 ALA A 5 4.160 -0.627 -6.899 1.00 53.23 H new ATOM 0 HB3 ALA A 5 5.544 -0.687 -5.782 1.00 53.23 H new ATOM 36 N GLY A 6 4.532 -2.961 -3.119 1.00 23.11 N ATOM 37 CA GLY A 6 5.274 -3.852 -2.247 1.00 24.53 C ATOM 38 C GLY A 6 5.217 -5.295 -2.708 1.00 34.45 C ATOM 39 O GLY A 6 6.128 -6.077 -2.438 1.00 30.01 O ATOM 0 H GLY A 6 3.855 -2.364 -2.645 1.00 23.11 H new ATOM 0 HA2 GLY A 6 6.314 -3.529 -2.203 1.00 24.53 H new ATOM 0 HA3 GLY A 6 4.875 -3.781 -1.235 1.00 24.53 H new ATOM 43 N ALA A 7 4.141 -5.650 -3.403 1.00 62.13 N ATOM 44 CA ALA A 7 3.968 -7.009 -3.903 1.00 3.54 C ATOM 45 C ALA A 7 5.143 -7.424 -4.783 1.00 15.45 C ATOM 46 O ALA A 7 5.685 -8.519 -4.633 1.00 44.30 O ATOM 47 CB ALA A 7 2.662 -7.125 -4.673 1.00 74.23 C ATOM 0 H ALA A 7 3.376 -5.016 -3.633 1.00 62.13 H new ATOM 0 HA ALA A 7 3.933 -7.683 -3.047 1.00 3.54 H new ATOM 0 HB1 ALA A 7 2.546 -8.145 -5.041 1.00 74.23 H new ATOM 0 HB2 ALA A 7 1.829 -6.879 -4.015 1.00 74.23 H new ATOM 0 HB3 ALA A 7 2.674 -6.435 -5.516 1.00 74.23 H new ATOM 53 N ILE A 8 5.529 -6.543 -5.700 1.00 32.24 N ATOM 54 CA ILE A 8 6.639 -6.819 -6.603 1.00 30.11 C ATOM 55 C ILE A 8 7.978 -6.668 -5.890 1.00 44.51 C ATOM 56 O ILE A 8 8.940 -7.371 -6.198 1.00 30.23 O ATOM 57 CB ILE A 8 6.614 -5.886 -7.828 1.00 15.23 C ATOM 58 CG1 ILE A 8 5.285 -6.023 -8.574 1.00 33.34 C ATOM 59 CG2 ILE A 8 7.781 -6.194 -8.753 1.00 60.42 C ATOM 60 CD1 ILE A 8 4.253 -4.996 -8.164 1.00 33.11 C ATOM 0 H ILE A 8 5.090 -5.633 -5.837 1.00 32.24 H new ATOM 0 HA ILE A 8 6.523 -7.849 -6.939 1.00 30.11 H new ATOM 0 HB ILE A 8 6.711 -4.856 -7.484 1.00 15.23 H new ATOM 0 HG12 ILE A 8 5.468 -5.935 -9.645 1.00 33.34 H new ATOM 0 HG13 ILE A 8 4.882 -7.021 -8.401 1.00 33.34 H new ATOM 0 HG21 ILE A 8 7.749 -5.526 -9.614 1.00 60.42 H new ATOM 0 HG22 ILE A 8 8.719 -6.050 -8.216 1.00 60.42 H new ATOM 0 HG23 ILE A 8 7.713 -7.227 -9.093 1.00 60.42 H new ATOM 0 HD11 ILE A 8 3.337 -5.153 -8.733 1.00 33.11 H new ATOM 0 HD12 ILE A 8 4.041 -5.098 -7.100 1.00 33.11 H new ATOM 0 HD13 ILE A 8 4.636 -3.995 -8.363 1.00 33.11 H new ATOM 72 N ALA A 9 8.033 -5.745 -4.935 1.00 30.44 N ATOM 73 CA ALA A 9 9.253 -5.504 -4.175 1.00 2.12 C ATOM 74 C ALA A 9 9.636 -6.727 -3.348 1.00 11.42 C ATOM 75 O ALA A 9 10.814 -7.065 -3.229 1.00 33.01 O ATOM 76 CB ALA A 9 9.083 -4.288 -3.276 1.00 22.34 C ATOM 0 H ALA A 9 7.247 -5.152 -4.670 1.00 30.44 H new ATOM 0 HA ALA A 9 10.060 -5.310 -4.882 1.00 2.12 H new ATOM 0 HB1 ALA A 9 10.002 -4.120 -2.714 1.00 22.34 H new ATOM 0 HB2 ALA A 9 8.865 -3.412 -3.887 1.00 22.34 H new ATOM 0 HB3 ALA A 9 8.260 -4.461 -2.582 1.00 22.34 H new ATOM 82 N LYS A 10 8.634 -7.386 -2.777 1.00 33.13 N ATOM 83 CA LYS A 10 8.864 -8.572 -1.961 1.00 23.24 C ATOM 84 C LYS A 10 9.439 -9.708 -2.801 1.00 55.04 C ATOM 85 O LYS A 10 9.950 -10.693 -2.267 1.00 1.33 O ATOM 86 CB LYS A 10 7.560 -9.023 -1.299 1.00 10.52 C ATOM 87 CG LYS A 10 6.643 -9.798 -2.228 1.00 73.41 C ATOM 88 CD LYS A 10 6.568 -11.266 -1.840 1.00 52.35 C ATOM 89 CE LYS A 10 5.258 -11.895 -2.290 1.00 41.13 C ATOM 90 NZ LYS A 10 4.143 -11.583 -1.355 1.00 14.25 N ATOM 0 H LYS A 10 7.654 -7.119 -2.864 1.00 33.13 H new ATOM 0 HA LYS A 10 9.587 -8.314 -1.187 1.00 23.24 H new ATOM 0 HB2 LYS A 10 7.797 -9.644 -0.435 1.00 10.52 H new ATOM 0 HB3 LYS A 10 7.030 -8.147 -0.926 1.00 10.52 H new ATOM 0 HG2 LYS A 10 5.644 -9.362 -2.202 1.00 73.41 H new ATOM 0 HG3 LYS A 10 7.003 -9.709 -3.253 1.00 73.41 H new ATOM 0 HD2 LYS A 10 7.404 -11.805 -2.287 1.00 52.35 H new ATOM 0 HD3 LYS A 10 6.667 -11.363 -0.759 1.00 52.35 H new ATOM 0 HE2 LYS A 10 5.006 -11.536 -3.288 1.00 41.13 H new ATOM 0 HE3 LYS A 10 5.380 -12.976 -2.362 1.00 41.13 H new ATOM 0 HZ1 LYS A 10 3.268 -12.030 -1.697 1.00 14.25 H new ATOM 0 HZ2 LYS A 10 4.371 -11.948 -0.408 1.00 14.25 H new ATOM 0 HZ3 LYS A 10 4.009 -10.553 -1.306 1.00 14.25 H new ATOM 104 N LEU A 11 9.352 -9.564 -4.119 1.00 61.42 N ATOM 105 CA LEU A 11 9.865 -10.578 -5.035 1.00 31.05 C ATOM 106 C LEU A 11 11.379 -10.465 -5.180 1.00 1.34 C ATOM 107 O LEU A 11 12.042 -11.405 -5.619 1.00 42.53 O ATOM 108 CB LEU A 11 9.198 -10.441 -6.404 1.00 42.54 C ATOM 109 CG LEU A 11 7.674 -10.315 -6.400 1.00 3.14 C ATOM 110 CD1 LEU A 11 7.142 -10.225 -7.821 1.00 74.32 C ATOM 111 CD2 LEU A 11 7.045 -11.490 -5.665 1.00 54.52 C ATOM 0 H LEU A 11 8.931 -8.756 -4.577 1.00 61.42 H new ATOM 0 HA LEU A 11 9.631 -11.559 -4.621 1.00 31.05 H new ATOM 0 HB2 LEU A 11 9.613 -9.565 -6.902 1.00 42.54 H new ATOM 0 HB3 LEU A 11 9.469 -11.308 -7.006 1.00 42.54 H new ATOM 0 HG LEU A 11 7.405 -9.398 -5.876 1.00 3.14 H new ATOM 0 HD11 LEU A 11 6.056 -10.136 -7.798 1.00 74.32 H new ATOM 0 HD12 LEU A 11 7.567 -9.351 -8.314 1.00 74.32 H new ATOM 0 HD13 LEU A 11 7.421 -11.124 -8.371 1.00 74.32 H new ATOM 0 HD21 LEU A 11 5.960 -11.385 -5.672 1.00 54.52 H new ATOM 0 HD22 LEU A 11 7.322 -12.420 -6.161 1.00 54.52 H new ATOM 0 HD23 LEU A 11 7.402 -11.508 -4.635 1.00 54.52 H new ATOM 123 N ILE A 12 11.919 -9.310 -4.805 1.00 43.14 N ATOM 124 CA ILE A 12 13.355 -9.076 -4.891 1.00 4.32 C ATOM 125 C ILE A 12 14.135 -10.173 -4.175 1.00 30.35 C ATOM 126 O ILE A 12 14.976 -10.855 -4.761 1.00 31.44 O ATOM 127 CB ILE A 12 13.740 -7.712 -4.288 1.00 42.42 C ATOM 128 CG1 ILE A 12 13.645 -6.615 -5.351 1.00 63.01 C ATOM 129 CG2 ILE A 12 15.143 -7.768 -3.702 1.00 33.34 C ATOM 130 CD1 ILE A 12 14.670 -6.754 -6.455 1.00 53.34 C ATOM 0 H ILE A 12 11.384 -8.522 -4.439 1.00 43.14 H new ATOM 0 HA ILE A 12 13.612 -9.082 -5.950 1.00 4.32 H new ATOM 0 HB ILE A 12 13.041 -7.477 -3.485 1.00 42.42 H new ATOM 0 HG12 ILE A 12 12.647 -6.630 -5.789 1.00 63.01 H new ATOM 0 HG13 ILE A 12 13.768 -5.644 -4.872 1.00 63.01 H new ATOM 0 HG21 ILE A 12 15.400 -6.796 -3.280 1.00 33.34 H new ATOM 0 HG22 ILE A 12 15.180 -8.525 -2.919 1.00 33.34 H new ATOM 0 HG23 ILE A 12 15.855 -8.022 -4.487 1.00 33.34 H new ATOM 0 HD11 ILE A 12 14.544 -5.943 -7.173 1.00 53.34 H new ATOM 0 HD12 ILE A 12 15.672 -6.709 -6.029 1.00 53.34 H new ATOM 0 HD13 ILE A 12 14.533 -7.710 -6.960 1.00 53.34 H new ATOM 142 N PRO A 13 13.850 -10.351 -2.876 1.00 54.40 N ATOM 143 CA PRO A 13 14.511 -11.366 -2.052 1.00 23.24 C ATOM 144 C PRO A 13 14.100 -12.783 -2.436 1.00 71.34 C ATOM 145 O PRO A 13 14.856 -13.735 -2.241 1.00 70.21 O ATOM 146 CB PRO A 13 14.036 -11.038 -0.634 1.00 54.43 C ATOM 147 CG PRO A 13 12.734 -10.339 -0.824 1.00 52.41 C ATOM 148 CD PRO A 13 12.859 -9.574 -2.113 1.00 15.33 C ATOM 0 HA PRO A 13 15.594 -11.343 -2.170 1.00 23.24 H new ATOM 0 HB2 PRO A 13 13.917 -11.942 -0.037 1.00 54.43 H new ATOM 0 HB3 PRO A 13 14.753 -10.404 -0.113 1.00 54.43 H new ATOM 0 HG2 PRO A 13 11.911 -11.052 -0.872 1.00 52.41 H new ATOM 0 HG3 PRO A 13 12.526 -9.668 0.009 1.00 52.41 H new ATOM 0 HD2 PRO A 13 11.906 -9.513 -2.638 1.00 15.33 H new ATOM 0 HD3 PRO A 13 13.195 -8.551 -1.942 1.00 15.33 H new ATOM 156 N LYS A 14 12.897 -12.917 -2.985 1.00 1.12 N ATOM 157 CA LYS A 14 12.385 -14.218 -3.399 1.00 52.53 C ATOM 158 C LYS A 14 13.364 -14.913 -4.339 1.00 72.54 C ATOM 159 O LYS A 14 13.518 -16.135 -4.298 1.00 45.21 O ATOM 160 CB LYS A 14 11.027 -14.058 -4.087 1.00 32.44 C ATOM 161 CG LYS A 14 9.846 -14.343 -3.174 1.00 43.23 C ATOM 162 CD LYS A 14 8.570 -14.568 -3.968 1.00 10.14 C ATOM 163 CE LYS A 14 8.307 -16.049 -4.192 1.00 21.11 C ATOM 164 NZ LYS A 14 7.837 -16.723 -2.950 1.00 62.31 N ATOM 0 H LYS A 14 12.258 -12.140 -3.154 1.00 1.12 H new ATOM 0 HA LYS A 14 12.264 -14.834 -2.508 1.00 52.53 H new ATOM 0 HB2 LYS A 14 10.941 -13.042 -4.472 1.00 32.44 H new ATOM 0 HB3 LYS A 14 10.982 -14.729 -4.945 1.00 32.44 H new ATOM 0 HG2 LYS A 14 10.058 -15.223 -2.567 1.00 43.23 H new ATOM 0 HG3 LYS A 14 9.706 -13.508 -2.487 1.00 43.23 H new ATOM 0 HD2 LYS A 14 7.727 -14.124 -3.438 1.00 10.14 H new ATOM 0 HD3 LYS A 14 8.645 -14.061 -4.930 1.00 10.14 H new ATOM 0 HE2 LYS A 14 7.560 -16.171 -4.976 1.00 21.11 H new ATOM 0 HE3 LYS A 14 9.219 -16.531 -4.544 1.00 21.11 H new ATOM 0 HZ1 LYS A 14 7.462 -17.664 -3.186 1.00 62.31 H new ATOM 0 HZ2 LYS A 14 8.632 -16.824 -2.288 1.00 62.31 H new ATOM 0 HZ3 LYS A 14 7.088 -16.153 -2.508 1.00 62.31 H new ATOM 178 N LEU A 15 14.024 -14.130 -5.185 1.00 14.41 N ATOM 179 CA LEU A 15 14.990 -14.671 -6.135 1.00 14.42 C ATOM 180 C LEU A 15 16.374 -14.776 -5.503 1.00 71.31 C ATOM 181 O LEU A 15 17.193 -15.598 -5.912 1.00 41.11 O ATOM 182 CB LEU A 15 15.053 -13.791 -7.385 1.00 32.31 C ATOM 183 CG LEU A 15 13.788 -13.754 -8.244 1.00 2.44 C ATOM 184 CD1 LEU A 15 13.635 -12.395 -8.909 1.00 44.15 C ATOM 185 CD2 LEU A 15 13.819 -14.861 -9.287 1.00 50.42 C ATOM 0 H LEU A 15 13.908 -13.118 -5.233 1.00 14.41 H new ATOM 0 HA LEU A 15 14.663 -15.671 -6.419 1.00 14.42 H new ATOM 0 HB2 LEU A 15 15.289 -12.772 -7.076 1.00 32.31 H new ATOM 0 HB3 LEU A 15 15.880 -14.135 -8.006 1.00 32.31 H new ATOM 0 HG LEU A 15 12.927 -13.918 -7.597 1.00 2.44 H new ATOM 0 HD11 LEU A 15 12.730 -12.387 -9.516 1.00 44.15 H new ATOM 0 HD12 LEU A 15 13.566 -11.621 -8.144 1.00 44.15 H new ATOM 0 HD13 LEU A 15 14.499 -12.201 -9.544 1.00 44.15 H new ATOM 0 HD21 LEU A 15 12.911 -14.819 -9.889 1.00 50.42 H new ATOM 0 HD22 LEU A 15 14.688 -14.729 -9.932 1.00 50.42 H new ATOM 0 HD23 LEU A 15 13.880 -15.829 -8.789 1.00 50.42 H new ATOM 197 N GLY A 16 16.627 -13.940 -4.501 1.00 43.52 N ATOM 198 CA GLY A 16 17.913 -13.957 -3.827 1.00 55.54 C ATOM 199 C GLY A 16 18.149 -15.244 -3.063 1.00 2.33 C ATOM 200 O GLY A 16 19.293 -15.630 -2.826 1.00 21.25 O ATOM 0 H GLY A 16 15.965 -13.251 -4.144 1.00 43.52 H new ATOM 0 HA2 GLY A 16 18.707 -13.823 -4.562 1.00 55.54 H new ATOM 0 HA3 GLY A 16 17.970 -13.114 -3.139 1.00 55.54 H new ATOM 204 N GLU A 17 17.065 -15.908 -2.675 1.00 11.34 N ATOM 205 CA GLU A 17 17.161 -17.158 -1.930 1.00 2.54 C ATOM 206 C GLU A 17 18.002 -18.180 -2.689 1.00 32.12 C ATOM 207 O GLU A 17 18.697 -18.999 -2.087 1.00 30.45 O ATOM 208 CB GLU A 17 15.766 -17.726 -1.662 1.00 21.15 C ATOM 209 CG GLU A 17 15.651 -18.454 -0.333 1.00 73.40 C ATOM 210 CD GLU A 17 15.852 -17.535 0.856 1.00 52.22 C ATOM 211 OE1 GLU A 17 15.131 -16.519 0.948 1.00 44.35 O ATOM 212 OE2 GLU A 17 16.729 -17.831 1.694 1.00 51.42 O ATOM 0 H GLU A 17 16.111 -15.602 -2.864 1.00 11.34 H new ATOM 0 HA GLU A 17 17.648 -16.948 -0.978 1.00 2.54 H new ATOM 0 HB2 GLU A 17 15.041 -16.912 -1.685 1.00 21.15 H new ATOM 0 HB3 GLU A 17 15.501 -18.412 -2.467 1.00 21.15 H new ATOM 0 HG2 GLU A 17 14.669 -18.922 -0.263 1.00 73.40 H new ATOM 0 HG3 GLU A 17 16.389 -19.255 -0.297 1.00 73.40 H new ATOM 219 N LEU A 18 17.933 -18.127 -4.014 1.00 53.44 N ATOM 220 CA LEU A 18 18.687 -19.048 -4.858 1.00 14.14 C ATOM 221 C LEU A 18 20.071 -18.489 -5.172 1.00 73.54 C ATOM 222 O LEU A 18 20.962 -19.220 -5.608 1.00 2.54 O ATOM 223 CB LEU A 18 17.926 -19.320 -6.157 1.00 2.52 C ATOM 224 CG LEU A 18 16.876 -20.429 -6.100 1.00 74.12 C ATOM 225 CD1 LEU A 18 17.536 -21.778 -5.858 1.00 50.53 C ATOM 226 CD2 LEU A 18 15.847 -20.135 -5.018 1.00 21.10 C ATOM 0 H LEU A 18 17.362 -17.456 -4.528 1.00 53.44 H new ATOM 0 HA LEU A 18 18.809 -19.984 -4.314 1.00 14.14 H new ATOM 0 HB2 LEU A 18 17.435 -18.398 -6.467 1.00 2.52 H new ATOM 0 HB3 LEU A 18 18.649 -19.572 -6.932 1.00 2.52 H new ATOM 0 HG LEU A 18 16.363 -20.466 -7.061 1.00 74.12 H new ATOM 0 HD11 LEU A 18 16.773 -22.555 -5.821 1.00 50.53 H new ATOM 0 HD12 LEU A 18 18.233 -21.993 -6.668 1.00 50.53 H new ATOM 0 HD13 LEU A 18 18.076 -21.754 -4.912 1.00 50.53 H new ATOM 0 HD21 LEU A 18 15.107 -20.935 -4.992 1.00 21.10 H new ATOM 0 HD22 LEU A 18 16.345 -20.070 -4.051 1.00 21.10 H new ATOM 0 HD23 LEU A 18 15.351 -19.189 -5.235 1.00 21.10 H new ATOM 238 N LEU A 19 20.244 -17.192 -4.948 1.00 4.23 N ATOM 239 CA LEU A 19 21.521 -16.535 -5.205 1.00 43.01 C ATOM 240 C LEU A 19 22.430 -16.614 -3.983 1.00 3.02 C ATOM 241 O LEU A 19 23.642 -16.420 -4.083 1.00 71.35 O ATOM 242 CB LEU A 19 21.296 -15.073 -5.594 1.00 11.35 C ATOM 243 CG LEU A 19 21.162 -14.789 -7.090 1.00 42.30 C ATOM 244 CD1 LEU A 19 22.500 -14.973 -7.790 1.00 12.31 C ATOM 245 CD2 LEU A 19 20.105 -15.690 -7.711 1.00 53.54 C ATOM 0 H LEU A 19 19.516 -16.574 -4.589 1.00 4.23 H new ATOM 0 HA LEU A 19 22.008 -17.053 -6.031 1.00 43.01 H new ATOM 0 HB2 LEU A 19 20.393 -14.720 -5.095 1.00 11.35 H new ATOM 0 HB3 LEU A 19 22.126 -14.483 -5.206 1.00 11.35 H new ATOM 0 HG LEU A 19 20.848 -13.753 -7.217 1.00 42.30 H new ATOM 0 HD11 LEU A 19 22.385 -14.767 -8.854 1.00 12.31 H new ATOM 0 HD12 LEU A 19 23.231 -14.286 -7.364 1.00 12.31 H new ATOM 0 HD13 LEU A 19 22.844 -15.998 -7.654 1.00 12.31 H new ATOM 0 HD21 LEU A 19 20.023 -15.474 -8.776 1.00 53.54 H new ATOM 0 HD22 LEU A 19 20.389 -16.733 -7.573 1.00 53.54 H new ATOM 0 HD23 LEU A 19 19.144 -15.509 -7.229 1.00 53.54 H new ATOM 257 N VAL A 20 21.838 -16.902 -2.828 1.00 54.13 N ATOM 258 CA VAL A 20 22.594 -17.010 -1.587 1.00 20.34 C ATOM 259 C VAL A 20 23.288 -18.364 -1.482 1.00 50.42 C ATOM 260 O VAL A 20 24.260 -18.519 -0.745 1.00 25.21 O ATOM 261 CB VAL A 20 21.686 -16.815 -0.358 1.00 4.14 C ATOM 262 CG1 VAL A 20 20.946 -15.489 -0.446 1.00 4.25 C ATOM 263 CG2 VAL A 20 20.709 -17.973 -0.228 1.00 55.05 C ATOM 0 H VAL A 20 20.836 -17.065 -2.727 1.00 54.13 H new ATOM 0 HA VAL A 20 23.345 -16.220 -1.604 1.00 20.34 H new ATOM 0 HB VAL A 20 22.311 -16.796 0.535 1.00 4.14 H new ATOM 0 HG11 VAL A 20 20.310 -15.369 0.431 1.00 4.25 H new ATOM 0 HG12 VAL A 20 21.667 -14.672 -0.486 1.00 4.25 H new ATOM 0 HG13 VAL A 20 20.331 -15.475 -1.346 1.00 4.25 H new ATOM 0 HG21 VAL A 20 20.076 -17.818 0.646 1.00 55.05 H new ATOM 0 HG22 VAL A 20 20.088 -18.027 -1.122 1.00 55.05 H new ATOM 0 HG23 VAL A 20 21.263 -18.905 -0.114 1.00 55.05 H new ATOM 273 N GLY A 21 22.781 -19.342 -2.227 1.00 0.23 N ATOM 274 CA GLY A 21 23.365 -20.670 -2.204 1.00 32.21 C ATOM 275 C GLY A 21 22.529 -21.657 -1.414 1.00 73.51 C ATOM 276 O GLY A 21 23.038 -22.673 -0.942 1.00 61.22 O ATOM 0 H GLY A 21 21.977 -19.238 -2.846 1.00 0.23 H new ATOM 0 HA2 GLY A 21 23.479 -21.031 -3.226 1.00 32.21 H new ATOM 0 HA3 GLY A 21 24.364 -20.617 -1.772 1.00 32.21 H new ATOM 280 N GLU A 22 21.242 -21.358 -1.269 1.00 13.42 N ATOM 281 CA GLU A 22 20.335 -22.226 -0.528 1.00 34.31 C ATOM 282 C GLU A 22 19.488 -23.067 -1.479 1.00 64.43 C ATOM 283 O GLU A 22 18.312 -22.779 -1.702 1.00 3.25 O ATOM 284 CB GLU A 22 19.426 -21.396 0.381 1.00 3.21 C ATOM 285 CG GLU A 22 18.450 -22.231 1.193 1.00 42.50 C ATOM 286 CD GLU A 22 18.091 -21.585 2.517 1.00 52.40 C ATOM 287 OE1 GLU A 22 19.010 -21.096 3.207 1.00 41.54 O ATOM 288 OE2 GLU A 22 16.891 -21.568 2.864 1.00 64.34 O ATOM 0 H GLU A 22 20.804 -20.521 -1.655 1.00 13.42 H new ATOM 0 HA GLU A 22 20.937 -22.896 0.086 1.00 34.31 H new ATOM 0 HB2 GLU A 22 20.044 -20.811 1.062 1.00 3.21 H new ATOM 0 HB3 GLU A 22 18.865 -20.688 -0.229 1.00 3.21 H new ATOM 0 HG2 GLU A 22 17.541 -22.389 0.612 1.00 42.50 H new ATOM 0 HG3 GLU A 22 18.885 -23.213 1.378 1.00 42.50 H new ATOM 295 N TYR A 23 20.096 -24.108 -2.038 1.00 73.14 N ATOM 296 CA TYR A 23 19.400 -24.990 -2.968 1.00 42.13 C ATOM 297 C TYR A 23 20.235 -26.231 -3.270 1.00 40.45 C ATOM 298 O TYR A 23 21.435 -26.269 -2.996 1.00 14.02 O ATOM 299 CB TYR A 23 19.082 -24.247 -4.267 1.00 72.10 C ATOM 300 CG TYR A 23 20.302 -23.672 -4.950 1.00 52.23 C ATOM 301 CD1 TYR A 23 20.827 -22.446 -4.562 1.00 14.52 C ATOM 302 CD2 TYR A 23 20.930 -24.355 -5.984 1.00 22.50 C ATOM 303 CE1 TYR A 23 21.941 -21.916 -5.184 1.00 14.01 C ATOM 304 CE2 TYR A 23 22.046 -23.834 -6.611 1.00 35.22 C ATOM 305 CZ TYR A 23 22.547 -22.614 -6.208 1.00 34.14 C ATOM 306 OH TYR A 23 23.657 -22.091 -6.829 1.00 2.42 O ATOM 0 H TYR A 23 21.068 -24.362 -1.863 1.00 73.14 H new ATOM 0 HA TYR A 23 18.468 -25.306 -2.501 1.00 42.13 H new ATOM 0 HB2 TYR A 23 18.580 -24.930 -4.953 1.00 72.10 H new ATOM 0 HB3 TYR A 23 18.382 -23.440 -4.052 1.00 72.10 H new ATOM 0 HD1 TYR A 23 20.356 -21.897 -3.760 1.00 14.52 H new ATOM 0 HD2 TYR A 23 20.539 -25.310 -6.303 1.00 22.50 H new ATOM 0 HE1 TYR A 23 22.335 -20.961 -4.870 1.00 14.01 H new ATOM 0 HE2 TYR A 23 22.523 -24.379 -7.412 1.00 35.22 H new ATOM 0 HH TYR A 23 23.962 -22.707 -7.527 1.00 2.42 H new ATOM 316 N LYS A 24 19.591 -27.245 -3.839 1.00 4.40 N ATOM 317 CA LYS A 24 20.272 -28.488 -4.182 1.00 0.43 C ATOM 318 C LYS A 24 20.443 -28.616 -5.692 1.00 52.10 C ATOM 319 O LYS A 24 19.925 -29.548 -6.309 1.00 22.13 O ATOM 320 CB LYS A 24 19.489 -29.687 -3.643 1.00 23.14 C ATOM 321 CG LYS A 24 20.237 -31.004 -3.761 1.00 74.12 C ATOM 322 CD LYS A 24 21.374 -31.092 -2.758 1.00 23.01 C ATOM 323 CE LYS A 24 21.751 -32.537 -2.468 1.00 44.30 C ATOM 324 NZ LYS A 24 20.763 -33.199 -1.572 1.00 42.12 N ATOM 0 H LYS A 24 18.598 -27.230 -4.072 1.00 4.40 H new ATOM 0 HA LYS A 24 21.260 -28.471 -3.723 1.00 0.43 H new ATOM 0 HB2 LYS A 24 19.245 -29.510 -2.596 1.00 23.14 H new ATOM 0 HB3 LYS A 24 18.545 -29.766 -4.182 1.00 23.14 H new ATOM 0 HG2 LYS A 24 19.546 -31.831 -3.602 1.00 74.12 H new ATOM 0 HG3 LYS A 24 20.633 -31.109 -4.771 1.00 74.12 H new ATOM 0 HD2 LYS A 24 22.243 -30.559 -3.144 1.00 23.01 H new ATOM 0 HD3 LYS A 24 21.082 -30.598 -1.831 1.00 23.01 H new ATOM 0 HE2 LYS A 24 21.819 -33.090 -3.405 1.00 44.30 H new ATOM 0 HE3 LYS A 24 22.738 -32.569 -2.007 1.00 44.30 H new ATOM 0 HZ1 LYS A 24 21.144 -34.111 -1.249 1.00 42.12 H new ATOM 0 HZ2 LYS A 24 20.578 -32.590 -0.750 1.00 42.12 H new ATOM 0 HZ3 LYS A 24 19.876 -33.359 -2.091 1.00 42.12 H new ATOM 338 N LEU A 25 21.172 -27.676 -6.282 1.00 44.42 N ATOM 339 CA LEU A 25 21.413 -27.684 -7.721 1.00 20.40 C ATOM 340 C LEU A 25 22.826 -27.206 -8.040 1.00 30.33 C ATOM 341 O LEU A 25 23.554 -26.753 -7.156 1.00 34.14 O ATOM 342 CB LEU A 25 20.390 -26.799 -8.435 1.00 33.25 C ATOM 343 CG LEU A 25 18.930 -26.992 -8.020 1.00 65.43 C ATOM 344 CD1 LEU A 25 18.105 -25.769 -8.387 1.00 1.32 C ATOM 345 CD2 LEU A 25 18.353 -28.242 -8.669 1.00 52.44 C ATOM 0 H LEU A 25 21.607 -26.898 -5.786 1.00 44.42 H new ATOM 0 HA LEU A 25 21.308 -28.709 -8.076 1.00 20.40 H new ATOM 0 HB2 LEU A 25 20.660 -25.757 -8.266 1.00 33.25 H new ATOM 0 HB3 LEU A 25 20.469 -26.979 -9.507 1.00 33.25 H new ATOM 0 HG LEU A 25 18.893 -27.118 -6.938 1.00 65.43 H new ATOM 0 HD11 LEU A 25 17.069 -25.924 -8.084 1.00 1.32 H new ATOM 0 HD12 LEU A 25 18.505 -24.893 -7.876 1.00 1.32 H new ATOM 0 HD13 LEU A 25 18.148 -25.611 -9.465 1.00 1.32 H new ATOM 0 HD21 LEU A 25 17.314 -28.364 -8.363 1.00 52.44 H new ATOM 0 HD22 LEU A 25 18.403 -28.145 -9.754 1.00 52.44 H new ATOM 0 HD23 LEU A 25 18.928 -29.113 -8.356 1.00 52.44 H new ATOM 357 N HIS A 26 23.208 -27.308 -9.309 1.00 34.50 N ATOM 358 CA HIS A 26 24.533 -26.884 -9.745 1.00 50.33 C ATOM 359 C HIS A 26 24.564 -25.380 -10.003 1.00 61.21 C ATOM 360 O HIS A 26 23.554 -24.693 -9.854 1.00 54.22 O ATOM 361 CB HIS A 26 24.943 -27.638 -11.010 1.00 72.43 C ATOM 362 CG HIS A 26 25.454 -29.021 -10.744 1.00 10.30 C ATOM 363 ND1 HIS A 26 25.011 -29.798 -9.695 1.00 13.13 N ATOM 364 CD2 HIS A 26 26.375 -29.765 -11.399 1.00 23.43 C ATOM 365 CE1 HIS A 26 25.638 -30.960 -9.715 1.00 25.15 C ATOM 366 NE2 HIS A 26 26.472 -30.966 -10.739 1.00 51.03 N ATOM 0 H HIS A 26 22.618 -27.681 -10.053 1.00 34.50 H new ATOM 0 HA HIS A 26 25.241 -27.114 -8.949 1.00 50.33 H new ATOM 0 HB2 HIS A 26 24.086 -27.699 -11.681 1.00 72.43 H new ATOM 0 HB3 HIS A 26 25.714 -27.068 -11.529 1.00 72.43 H new ATOM 0 HD2 HIS A 26 26.930 -29.470 -12.277 1.00 23.43 H new ATOM 0 HE1 HIS A 26 25.493 -31.768 -9.013 1.00 25.15 H new ATOM 0 HE2 HIS A 26 27.088 -31.737 -10.998 1.00 51.03 H new ATOM 374 N LYS A 27 25.731 -24.875 -10.390 1.00 33.22 N ATOM 375 CA LYS A 27 25.895 -23.454 -10.669 1.00 13.50 C ATOM 376 C LYS A 27 25.174 -23.065 -11.956 1.00 31.11 C ATOM 377 O LYS A 27 24.790 -21.911 -12.140 1.00 12.15 O ATOM 378 CB LYS A 27 27.380 -23.102 -10.778 1.00 22.21 C ATOM 379 CG LYS A 27 28.006 -22.689 -9.457 1.00 51.41 C ATOM 380 CD LYS A 27 28.566 -23.885 -8.706 1.00 72.24 C ATOM 381 CE LYS A 27 30.006 -24.168 -9.104 1.00 63.41 C ATOM 382 NZ LYS A 27 30.088 -25.083 -10.276 1.00 65.14 N ATOM 0 H LYS A 27 26.577 -25.430 -10.517 1.00 33.22 H new ATOM 0 HA LYS A 27 25.455 -22.895 -9.843 1.00 13.50 H new ATOM 0 HB2 LYS A 27 27.921 -23.962 -11.173 1.00 22.21 H new ATOM 0 HB3 LYS A 27 27.501 -22.292 -11.497 1.00 22.21 H new ATOM 0 HG2 LYS A 27 28.803 -21.968 -9.641 1.00 51.41 H new ATOM 0 HG3 LYS A 27 27.259 -22.188 -8.841 1.00 51.41 H new ATOM 0 HD2 LYS A 27 28.514 -23.699 -7.633 1.00 72.24 H new ATOM 0 HD3 LYS A 27 27.952 -24.763 -8.908 1.00 72.24 H new ATOM 0 HE2 LYS A 27 30.509 -23.230 -9.340 1.00 63.41 H new ATOM 0 HE3 LYS A 27 30.536 -24.610 -8.260 1.00 63.41 H new ATOM 0 HZ1 LYS A 27 31.001 -25.582 -10.264 1.00 65.14 H new ATOM 0 HZ2 LYS A 27 29.314 -25.776 -10.230 1.00 65.14 H new ATOM 0 HZ3 LYS A 27 30.007 -24.531 -11.154 1.00 65.14 H new ATOM 396 N GLY A 28 24.992 -24.038 -12.844 1.00 45.22 N ATOM 397 CA GLY A 28 24.317 -23.777 -14.102 1.00 31.21 C ATOM 398 C GLY A 28 22.838 -23.498 -13.919 1.00 23.13 C ATOM 399 O GLY A 28 22.213 -22.850 -14.758 1.00 13.01 O ATOM 0 H GLY A 28 25.300 -25.002 -12.715 1.00 45.22 H new ATOM 0 HA2 GLY A 28 24.786 -22.924 -14.593 1.00 31.21 H new ATOM 0 HA3 GLY A 28 24.443 -24.634 -14.763 1.00 31.21 H new ATOM 403 N VAL A 29 22.277 -23.990 -12.819 1.00 15.21 N ATOM 404 CA VAL A 29 20.862 -23.790 -12.528 1.00 73.33 C ATOM 405 C VAL A 29 20.610 -22.403 -11.947 1.00 62.44 C ATOM 406 O VAL A 29 19.742 -21.668 -12.419 1.00 24.31 O ATOM 407 CB VAL A 29 20.336 -24.851 -11.543 1.00 2.24 C ATOM 408 CG1 VAL A 29 18.839 -24.686 -11.329 1.00 4.15 C ATOM 409 CG2 VAL A 29 20.661 -26.250 -12.043 1.00 75.14 C ATOM 0 H VAL A 29 22.780 -24.530 -12.115 1.00 15.21 H new ATOM 0 HA VAL A 29 20.328 -23.886 -13.473 1.00 73.33 H new ATOM 0 HB VAL A 29 20.833 -24.709 -10.584 1.00 2.24 H new ATOM 0 HG11 VAL A 29 18.486 -25.444 -10.630 1.00 4.15 H new ATOM 0 HG12 VAL A 29 18.637 -23.695 -10.922 1.00 4.15 H new ATOM 0 HG13 VAL A 29 18.321 -24.800 -12.281 1.00 4.15 H new ATOM 0 HG21 VAL A 29 20.282 -26.987 -11.335 1.00 75.14 H new ATOM 0 HG22 VAL A 29 20.193 -26.407 -13.015 1.00 75.14 H new ATOM 0 HG23 VAL A 29 21.741 -26.361 -12.138 1.00 75.14 H new ATOM 419 N LYS A 30 21.376 -22.051 -10.920 1.00 53.32 N ATOM 420 CA LYS A 30 21.239 -20.751 -10.274 1.00 55.21 C ATOM 421 C LYS A 30 21.371 -19.621 -11.291 1.00 21.24 C ATOM 422 O LYS A 30 20.822 -18.536 -11.103 1.00 55.42 O ATOM 423 CB LYS A 30 22.293 -20.590 -9.177 1.00 10.13 C ATOM 424 CG LYS A 30 23.717 -20.544 -9.703 1.00 52.44 C ATOM 425 CD LYS A 30 24.687 -20.048 -8.644 1.00 63.24 C ATOM 426 CE LYS A 30 25.690 -19.063 -9.225 1.00 25.22 C ATOM 427 NZ LYS A 30 27.017 -19.164 -8.556 1.00 43.11 N ATOM 0 H LYS A 30 22.098 -22.648 -10.517 1.00 53.32 H new ATOM 0 HA LYS A 30 20.247 -20.699 -9.826 1.00 55.21 H new ATOM 0 HB2 LYS A 30 22.090 -19.674 -8.622 1.00 10.13 H new ATOM 0 HB3 LYS A 30 22.201 -21.417 -8.473 1.00 10.13 H new ATOM 0 HG2 LYS A 30 24.016 -21.539 -10.034 1.00 52.44 H new ATOM 0 HG3 LYS A 30 23.763 -19.891 -10.574 1.00 52.44 H new ATOM 0 HD2 LYS A 30 24.133 -19.570 -7.836 1.00 63.24 H new ATOM 0 HD3 LYS A 30 25.217 -20.895 -8.209 1.00 63.24 H new ATOM 0 HE2 LYS A 30 25.806 -19.250 -10.293 1.00 25.22 H new ATOM 0 HE3 LYS A 30 25.306 -18.048 -9.119 1.00 25.22 H new ATOM 0 HZ1 LYS A 30 27.601 -18.344 -8.817 1.00 43.11 H new ATOM 0 HZ2 LYS A 30 26.885 -19.181 -7.524 1.00 43.11 H new ATOM 0 HZ3 LYS A 30 27.493 -20.038 -8.858 1.00 43.11 H new ATOM 441 N LYS A 31 22.103 -19.884 -12.368 1.00 74.12 N ATOM 442 CA LYS A 31 22.305 -18.891 -13.417 1.00 25.34 C ATOM 443 C LYS A 31 20.970 -18.391 -13.958 1.00 1.22 C ATOM 444 O LYS A 31 20.866 -17.259 -14.429 1.00 33.30 O ATOM 445 CB LYS A 31 23.139 -19.484 -14.555 1.00 21.42 C ATOM 446 CG LYS A 31 24.635 -19.296 -14.375 1.00 24.33 C ATOM 447 CD LYS A 31 25.415 -19.880 -15.541 1.00 42.42 C ATOM 448 CE LYS A 31 25.121 -19.137 -16.835 1.00 75.05 C ATOM 449 NZ LYS A 31 25.921 -19.667 -17.974 1.00 21.23 N ATOM 0 H LYS A 31 22.566 -20.777 -12.538 1.00 74.12 H new ATOM 0 HA LYS A 31 22.840 -18.046 -12.984 1.00 25.34 H new ATOM 0 HB2 LYS A 31 22.922 -20.549 -14.636 1.00 21.42 H new ATOM 0 HB3 LYS A 31 22.834 -19.024 -15.495 1.00 21.42 H new ATOM 0 HG2 LYS A 31 24.860 -18.234 -14.281 1.00 24.33 H new ATOM 0 HG3 LYS A 31 24.954 -19.773 -13.448 1.00 24.33 H new ATOM 0 HD2 LYS A 31 26.483 -19.832 -15.327 1.00 42.42 H new ATOM 0 HD3 LYS A 31 25.161 -20.933 -15.659 1.00 42.42 H new ATOM 0 HE2 LYS A 31 24.059 -19.219 -17.068 1.00 75.05 H new ATOM 0 HE3 LYS A 31 25.337 -18.077 -16.702 1.00 75.05 H new ATOM 0 HZ1 LYS A 31 25.692 -19.134 -18.837 1.00 21.23 H new ATOM 0 HZ2 LYS A 31 26.934 -19.565 -17.763 1.00 21.23 H new ATOM 0 HZ3 LYS A 31 25.696 -20.672 -18.118 1.00 21.23 H new ATOM 463 N ASN A 32 19.951 -19.241 -13.885 1.00 62.24 N ATOM 464 CA ASN A 32 18.622 -18.884 -14.368 1.00 31.25 C ATOM 465 C ASN A 32 17.927 -17.937 -13.395 1.00 13.35 C ATOM 466 O ASN A 32 17.151 -17.072 -13.802 1.00 40.33 O ATOM 467 CB ASN A 32 17.774 -20.142 -14.566 1.00 33.11 C ATOM 468 CG ASN A 32 16.290 -19.834 -14.636 1.00 65.04 C ATOM 469 OD1 ASN A 32 15.739 -19.629 -15.717 1.00 54.45 O ATOM 470 ND2 ASN A 32 15.638 -19.800 -13.480 1.00 72.44 N ATOM 0 H ASN A 32 20.020 -20.181 -13.496 1.00 62.24 H new ATOM 0 HA ASN A 32 18.734 -18.375 -15.325 1.00 31.25 H new ATOM 0 HB2 ASN A 32 18.082 -20.644 -15.483 1.00 33.11 H new ATOM 0 HB3 ASN A 32 17.960 -20.835 -13.746 1.00 33.11 H new ATOM 0 HD21 ASN A 32 14.638 -19.597 -13.464 1.00 72.44 H new ATOM 0 HD22 ASN A 32 16.137 -19.976 -12.608 1.00 72.44 H new ATOM 477 N ILE A 33 18.211 -18.106 -12.108 1.00 33.24 N ATOM 478 CA ILE A 33 17.614 -17.265 -11.077 1.00 63.31 C ATOM 479 C ILE A 33 18.214 -15.863 -11.097 1.00 32.44 C ATOM 480 O ILE A 33 17.490 -14.869 -11.148 1.00 63.50 O ATOM 481 CB ILE A 33 17.804 -17.873 -9.675 1.00 22.21 C ATOM 482 CG1 ILE A 33 17.393 -19.347 -9.674 1.00 51.01 C ATOM 483 CG2 ILE A 33 17.000 -17.093 -8.646 1.00 1.31 C ATOM 484 CD1 ILE A 33 15.927 -19.565 -9.979 1.00 23.44 C ATOM 0 H ILE A 33 18.851 -18.817 -11.754 1.00 33.24 H new ATOM 0 HA ILE A 33 16.548 -17.205 -11.296 1.00 63.31 H new ATOM 0 HB ILE A 33 18.859 -17.809 -9.408 1.00 22.21 H new ATOM 0 HG12 ILE A 33 17.993 -19.884 -10.409 1.00 51.01 H new ATOM 0 HG13 ILE A 33 17.621 -19.779 -8.700 1.00 51.01 H new ATOM 0 HG21 ILE A 33 17.145 -17.535 -7.660 1.00 1.31 H new ATOM 0 HG22 ILE A 33 17.336 -16.056 -8.632 1.00 1.31 H new ATOM 0 HG23 ILE A 33 15.942 -17.128 -8.908 1.00 1.31 H new ATOM 0 HD11 ILE A 33 15.707 -20.632 -9.962 1.00 23.44 H new ATOM 0 HD12 ILE A 33 15.320 -19.057 -9.230 1.00 23.44 H new ATOM 0 HD13 ILE A 33 15.697 -19.163 -10.966 1.00 23.44 H new ATOM 496 N GLU A 34 19.541 -15.792 -11.057 1.00 33.41 N ATOM 497 CA GLU A 34 20.237 -14.511 -11.071 1.00 63.40 C ATOM 498 C GLU A 34 19.818 -13.677 -12.278 1.00 34.21 C ATOM 499 O GLU A 34 19.821 -12.447 -12.227 1.00 63.13 O ATOM 500 CB GLU A 34 21.752 -14.729 -11.090 1.00 33.44 C ATOM 501 CG GLU A 34 22.277 -15.240 -12.421 1.00 11.11 C ATOM 502 CD GLU A 34 23.788 -15.363 -12.443 1.00 60.33 C ATOM 503 OE1 GLU A 34 24.394 -15.428 -11.353 1.00 14.42 O ATOM 504 OE2 GLU A 34 24.365 -15.395 -13.550 1.00 71.32 O ATOM 0 H GLU A 34 20.155 -16.606 -11.015 1.00 33.41 H new ATOM 0 HA GLU A 34 19.966 -13.969 -10.165 1.00 63.40 H new ATOM 0 HB2 GLU A 34 22.249 -13.789 -10.850 1.00 33.44 H new ATOM 0 HB3 GLU A 34 22.018 -15.439 -10.307 1.00 33.44 H new ATOM 0 HG2 GLU A 34 21.834 -16.213 -12.633 1.00 11.11 H new ATOM 0 HG3 GLU A 34 21.959 -14.565 -13.216 1.00 11.11 H new ATOM 511 N ASP A 35 19.457 -14.355 -13.362 1.00 21.53 N ATOM 512 CA ASP A 35 19.034 -13.678 -14.582 1.00 61.20 C ATOM 513 C ASP A 35 17.696 -12.974 -14.377 1.00 63.51 C ATOM 514 O ASP A 35 17.497 -11.850 -14.838 1.00 42.32 O ATOM 515 CB ASP A 35 18.927 -14.678 -15.735 1.00 4.13 C ATOM 516 CG ASP A 35 20.254 -14.898 -16.435 1.00 51.41 C ATOM 517 OD1 ASP A 35 21.296 -14.502 -15.871 1.00 72.20 O ATOM 518 OD2 ASP A 35 20.250 -15.466 -17.547 1.00 2.30 O ATOM 0 H ASP A 35 19.449 -15.373 -13.421 1.00 21.53 H new ATOM 0 HA ASP A 35 19.785 -12.928 -14.831 1.00 61.20 H new ATOM 0 HB2 ASP A 35 18.558 -15.630 -15.353 1.00 4.13 H new ATOM 0 HB3 ASP A 35 18.194 -14.319 -16.457 1.00 4.13 H new ATOM 523 N LEU A 36 16.782 -13.644 -13.684 1.00 53.31 N ATOM 524 CA LEU A 36 15.461 -13.083 -13.419 1.00 23.23 C ATOM 525 C LEU A 36 15.557 -11.886 -12.478 1.00 31.43 C ATOM 526 O LEU A 36 14.915 -10.858 -12.697 1.00 22.03 O ATOM 527 CB LEU A 36 14.545 -14.149 -12.815 1.00 70.01 C ATOM 528 CG LEU A 36 13.635 -14.887 -13.798 1.00 44.01 C ATOM 529 CD1 LEU A 36 14.427 -15.919 -14.586 1.00 30.21 C ATOM 530 CD2 LEU A 36 12.479 -15.547 -13.062 1.00 31.31 C ATOM 0 H LEU A 36 16.931 -14.575 -13.296 1.00 53.31 H new ATOM 0 HA LEU A 36 15.040 -12.745 -14.366 1.00 23.23 H new ATOM 0 HB2 LEU A 36 15.165 -14.884 -12.303 1.00 70.01 H new ATOM 0 HB3 LEU A 36 13.920 -13.676 -12.058 1.00 70.01 H new ATOM 0 HG LEU A 36 13.225 -14.161 -14.500 1.00 44.01 H new ATOM 0 HD11 LEU A 36 13.763 -16.434 -15.280 1.00 30.21 H new ATOM 0 HD12 LEU A 36 15.220 -15.421 -15.144 1.00 30.21 H new ATOM 0 HD13 LEU A 36 14.866 -16.643 -13.899 1.00 30.21 H new ATOM 0 HD21 LEU A 36 11.842 -16.067 -13.777 1.00 31.31 H new ATOM 0 HD22 LEU A 36 12.870 -16.261 -12.337 1.00 31.31 H new ATOM 0 HD23 LEU A 36 11.896 -14.786 -12.543 1.00 31.31 H new ATOM 542 N LEU A 37 16.363 -12.026 -11.431 1.00 61.33 N ATOM 543 CA LEU A 37 16.545 -10.956 -10.457 1.00 43.43 C ATOM 544 C LEU A 37 17.159 -9.722 -11.112 1.00 73.22 C ATOM 545 O LEU A 37 16.852 -8.590 -10.739 1.00 0.14 O ATOM 546 CB LEU A 37 17.434 -11.432 -9.307 1.00 1.31 C ATOM 547 CG LEU A 37 17.691 -10.416 -8.193 1.00 20.52 C ATOM 548 CD1 LEU A 37 16.379 -9.846 -7.678 1.00 11.23 C ATOM 549 CD2 LEU A 37 18.478 -11.057 -7.059 1.00 11.03 C ATOM 0 H LEU A 37 16.901 -12.870 -11.235 1.00 61.33 H new ATOM 0 HA LEU A 37 15.565 -10.686 -10.063 1.00 43.43 H new ATOM 0 HB2 LEU A 37 16.979 -12.318 -8.865 1.00 1.31 H new ATOM 0 HB3 LEU A 37 18.395 -11.739 -9.720 1.00 1.31 H new ATOM 0 HG LEU A 37 18.283 -9.597 -8.603 1.00 20.52 H new ATOM 0 HD11 LEU A 37 16.581 -9.125 -6.886 1.00 11.23 H new ATOM 0 HD12 LEU A 37 15.852 -9.351 -8.494 1.00 11.23 H new ATOM 0 HD13 LEU A 37 15.761 -10.653 -7.285 1.00 11.23 H new ATOM 0 HD21 LEU A 37 18.652 -10.320 -6.275 1.00 11.03 H new ATOM 0 HD22 LEU A 37 17.912 -11.894 -6.651 1.00 11.03 H new ATOM 0 HD23 LEU A 37 19.435 -11.416 -7.438 1.00 11.03 H new ATOM 561 N LYS A 38 18.026 -9.949 -12.093 1.00 71.11 N ATOM 562 CA LYS A 38 18.681 -8.857 -12.804 1.00 33.32 C ATOM 563 C LYS A 38 17.652 -7.921 -13.430 1.00 31.22 C ATOM 564 O LYS A 38 17.732 -6.703 -13.273 1.00 33.44 O ATOM 565 CB LYS A 38 19.608 -9.411 -13.888 1.00 4.12 C ATOM 566 CG LYS A 38 21.012 -9.712 -13.392 1.00 1.53 C ATOM 567 CD LYS A 38 21.768 -10.601 -14.364 1.00 25.32 C ATOM 568 CE LYS A 38 23.268 -10.556 -14.111 1.00 14.55 C ATOM 569 NZ LYS A 38 23.976 -11.688 -14.768 1.00 61.14 N ATOM 0 H LYS A 38 18.292 -10.880 -12.414 1.00 71.11 H new ATOM 0 HA LYS A 38 19.271 -8.290 -12.084 1.00 33.32 H new ATOM 0 HB2 LYS A 38 19.172 -10.323 -14.295 1.00 4.12 H new ATOM 0 HB3 LYS A 38 19.667 -8.693 -14.706 1.00 4.12 H new ATOM 0 HG2 LYS A 38 21.557 -8.779 -13.252 1.00 1.53 H new ATOM 0 HG3 LYS A 38 20.958 -10.199 -12.418 1.00 1.53 H new ATOM 0 HD2 LYS A 38 21.413 -11.627 -14.271 1.00 25.32 H new ATOM 0 HD3 LYS A 38 21.561 -10.283 -15.386 1.00 25.32 H new ATOM 0 HE2 LYS A 38 23.670 -9.613 -14.481 1.00 14.55 H new ATOM 0 HE3 LYS A 38 23.456 -10.584 -13.038 1.00 14.55 H new ATOM 0 HZ1 LYS A 38 24.995 -11.621 -14.572 1.00 61.14 H new ATOM 0 HZ2 LYS A 38 23.610 -12.588 -14.397 1.00 61.14 H new ATOM 0 HZ3 LYS A 38 23.818 -11.647 -15.795 1.00 61.14 H new ATOM 583 N GLU A 39 16.686 -8.499 -14.138 1.00 45.31 N ATOM 584 CA GLU A 39 15.642 -7.714 -14.787 1.00 21.45 C ATOM 585 C GLU A 39 14.615 -7.229 -13.768 1.00 12.30 C ATOM 586 O GLU A 39 14.101 -6.114 -13.870 1.00 40.15 O ATOM 587 CB GLU A 39 14.950 -8.543 -15.870 1.00 74.23 C ATOM 588 CG GLU A 39 15.905 -9.107 -16.909 1.00 33.23 C ATOM 589 CD GLU A 39 15.569 -10.535 -17.296 1.00 4.45 C ATOM 590 OE1 GLU A 39 15.144 -11.306 -16.410 1.00 42.42 O ATOM 591 OE2 GLU A 39 15.732 -10.880 -18.485 1.00 23.14 O ATOM 0 H GLU A 39 16.605 -9.506 -14.276 1.00 45.31 H new ATOM 0 HA GLU A 39 16.109 -6.844 -15.249 1.00 21.45 H new ATOM 0 HB2 GLU A 39 14.413 -9.366 -15.398 1.00 74.23 H new ATOM 0 HB3 GLU A 39 14.207 -7.923 -16.371 1.00 74.23 H new ATOM 0 HG2 GLU A 39 15.881 -8.478 -17.799 1.00 33.23 H new ATOM 0 HG3 GLU A 39 16.923 -9.070 -16.520 1.00 33.23 H new ATOM 598 N LEU A 40 14.320 -8.073 -12.786 1.00 35.11 N ATOM 599 CA LEU A 40 13.353 -7.732 -11.748 1.00 1.51 C ATOM 600 C LEU A 40 13.818 -6.518 -10.949 1.00 52.13 C ATOM 601 O LEU A 40 13.018 -5.653 -10.592 1.00 1.40 O ATOM 602 CB LEU A 40 13.140 -8.922 -10.811 1.00 15.42 C ATOM 603 CG LEU A 40 11.919 -9.795 -11.103 1.00 31.14 C ATOM 604 CD1 LEU A 40 10.643 -8.970 -11.032 1.00 21.31 C ATOM 605 CD2 LEU A 40 12.052 -10.459 -12.465 1.00 71.33 C ATOM 0 H LEU A 40 14.736 -8.999 -12.686 1.00 35.11 H new ATOM 0 HA LEU A 40 12.408 -7.485 -12.233 1.00 1.51 H new ATOM 0 HB2 LEU A 40 14.029 -9.552 -10.848 1.00 15.42 H new ATOM 0 HB3 LEU A 40 13.057 -8.546 -9.791 1.00 15.42 H new ATOM 0 HG LEU A 40 11.865 -10.576 -10.344 1.00 31.14 H new ATOM 0 HD11 LEU A 40 9.785 -9.608 -11.243 1.00 21.31 H new ATOM 0 HD12 LEU A 40 10.541 -8.542 -10.035 1.00 21.31 H new ATOM 0 HD13 LEU A 40 10.687 -8.167 -11.768 1.00 21.31 H new ATOM 0 HD21 LEU A 40 11.174 -11.076 -12.656 1.00 71.33 H new ATOM 0 HD22 LEU A 40 12.132 -9.693 -13.237 1.00 71.33 H new ATOM 0 HD23 LEU A 40 12.945 -11.084 -12.480 1.00 71.33 H new ATOM 617 N LYS A 41 15.116 -6.459 -10.674 1.00 24.20 N ATOM 618 CA LYS A 41 15.690 -5.350 -9.921 1.00 30.21 C ATOM 619 C LYS A 41 15.328 -4.013 -10.561 1.00 25.54 C ATOM 620 O LYS A 41 15.027 -3.042 -9.866 1.00 45.23 O ATOM 621 CB LYS A 41 17.211 -5.494 -9.840 1.00 64.34 C ATOM 622 CG LYS A 41 17.682 -6.329 -8.662 1.00 12.33 C ATOM 623 CD LYS A 41 17.972 -5.464 -7.447 1.00 11.34 C ATOM 624 CE LYS A 41 19.427 -5.023 -7.411 1.00 42.30 C ATOM 625 NZ LYS A 41 19.804 -4.460 -6.085 1.00 11.12 N ATOM 0 H LYS A 41 15.792 -7.167 -10.962 1.00 24.20 H new ATOM 0 HA LYS A 41 15.275 -5.375 -8.913 1.00 30.21 H new ATOM 0 HB2 LYS A 41 17.574 -5.946 -10.763 1.00 64.34 H new ATOM 0 HB3 LYS A 41 17.658 -4.502 -9.773 1.00 64.34 H new ATOM 0 HG2 LYS A 41 16.921 -7.068 -8.411 1.00 12.33 H new ATOM 0 HG3 LYS A 41 18.581 -6.879 -8.941 1.00 12.33 H new ATOM 0 HD2 LYS A 41 17.325 -4.587 -7.461 1.00 11.34 H new ATOM 0 HD3 LYS A 41 17.737 -6.019 -6.539 1.00 11.34 H new ATOM 0 HE2 LYS A 41 20.070 -5.873 -7.641 1.00 42.30 H new ATOM 0 HE3 LYS A 41 19.599 -4.275 -8.185 1.00 42.30 H new ATOM 0 HZ1 LYS A 41 20.803 -4.171 -6.102 1.00 11.12 H new ATOM 0 HZ2 LYS A 41 19.208 -3.633 -5.877 1.00 11.12 H new ATOM 0 HZ3 LYS A 41 19.664 -5.182 -5.349 1.00 11.12 H new ATOM 639 N THR A 42 15.359 -3.971 -11.889 1.00 53.30 N ATOM 640 CA THR A 42 15.034 -2.754 -12.622 1.00 40.31 C ATOM 641 C THR A 42 13.526 -2.540 -12.692 1.00 43.24 C ATOM 642 O THR A 42 13.051 -1.405 -12.700 1.00 51.32 O ATOM 643 CB THR A 42 15.603 -2.791 -14.053 1.00 70.11 C ATOM 644 OG1 THR A 42 14.989 -3.849 -14.797 1.00 31.51 O ATOM 645 CG2 THR A 42 17.111 -2.989 -14.031 1.00 1.23 C ATOM 0 H THR A 42 15.606 -4.766 -12.479 1.00 53.30 H new ATOM 0 HA THR A 42 15.491 -1.927 -12.079 1.00 40.31 H new ATOM 0 HB THR A 42 15.385 -1.836 -14.532 1.00 70.11 H new ATOM 0 HG1 THR A 42 14.726 -4.569 -14.186 1.00 31.51 H new ATOM 0 HG21 THR A 42 17.490 -3.012 -15.053 1.00 1.23 H new ATOM 0 HG22 THR A 42 17.578 -2.167 -13.489 1.00 1.23 H new ATOM 0 HG23 THR A 42 17.347 -3.931 -13.535 1.00 1.23 H new ATOM 653 N MET A 43 12.779 -3.638 -12.743 1.00 3.24 N ATOM 654 CA MET A 43 11.324 -3.569 -12.810 1.00 61.12 C ATOM 655 C MET A 43 10.753 -2.900 -11.564 1.00 40.31 C ATOM 656 O MET A 43 9.938 -1.983 -11.659 1.00 43.12 O ATOM 657 CB MET A 43 10.733 -4.971 -12.966 1.00 72.44 C ATOM 658 CG MET A 43 9.788 -5.104 -14.150 1.00 13.14 C ATOM 659 SD MET A 43 10.627 -4.915 -15.734 1.00 4.01 S ATOM 660 CE MET A 43 10.504 -6.580 -16.383 1.00 53.43 C ATOM 0 H MET A 43 13.157 -4.585 -12.739 1.00 3.24 H new ATOM 0 HA MET A 43 11.053 -2.969 -13.679 1.00 61.12 H new ATOM 0 HB2 MET A 43 11.546 -5.689 -13.078 1.00 72.44 H new ATOM 0 HB3 MET A 43 10.198 -5.235 -12.053 1.00 72.44 H new ATOM 0 HG2 MET A 43 9.303 -6.079 -14.115 1.00 13.14 H new ATOM 0 HG3 MET A 43 9.002 -4.354 -14.068 1.00 13.14 H new ATOM 0 HE1 MET A 43 10.483 -6.545 -17.472 1.00 53.43 H new ATOM 0 HE2 MET A 43 11.365 -7.163 -16.055 1.00 53.43 H new ATOM 0 HE3 MET A 43 9.589 -7.046 -16.017 1.00 53.43 H new ATOM 670 N ASN A 44 11.186 -3.365 -10.397 1.00 1.32 N ATOM 671 CA ASN A 44 10.717 -2.811 -9.132 1.00 33.01 C ATOM 672 C ASN A 44 10.968 -1.308 -9.069 1.00 42.55 C ATOM 673 O ASN A 44 10.090 -0.537 -8.683 1.00 42.45 O ATOM 674 CB ASN A 44 11.411 -3.505 -7.958 1.00 44.24 C ATOM 675 CG ASN A 44 10.581 -3.466 -6.690 1.00 60.11 C ATOM 676 OD1 ASN A 44 9.457 -3.966 -6.656 1.00 35.04 O ATOM 677 ND2 ASN A 44 11.133 -2.870 -5.640 1.00 1.04 N ATOM 0 H ASN A 44 11.861 -4.124 -10.301 1.00 1.32 H new ATOM 0 HA ASN A 44 9.643 -2.985 -9.065 1.00 33.01 H new ATOM 0 HB2 ASN A 44 11.616 -4.542 -8.223 1.00 44.24 H new ATOM 0 HB3 ASN A 44 12.373 -3.027 -7.774 1.00 44.24 H new ATOM 0 HD21 ASN A 44 10.622 -2.813 -4.759 1.00 1.04 H new ATOM 0 HD22 ASN A 44 12.068 -2.469 -5.714 1.00 1.04 H new ATOM 684 N ALA A 45 12.173 -0.898 -9.453 1.00 22.34 N ATOM 685 CA ALA A 45 12.540 0.512 -9.443 1.00 13.40 C ATOM 686 C ALA A 45 11.814 1.276 -10.546 1.00 22.31 C ATOM 687 O ALA A 45 11.579 2.478 -10.430 1.00 72.01 O ATOM 688 CB ALA A 45 14.046 0.667 -9.594 1.00 12.41 C ATOM 0 H ALA A 45 12.912 -1.523 -9.775 1.00 22.34 H new ATOM 0 HA ALA A 45 12.237 0.934 -8.485 1.00 13.40 H new ATOM 0 HB1 ALA A 45 14.306 1.726 -9.585 1.00 12.41 H new ATOM 0 HB2 ALA A 45 14.548 0.163 -8.768 1.00 12.41 H new ATOM 0 HB3 ALA A 45 14.365 0.223 -10.537 1.00 12.41 H new ATOM 694 N ALA A 46 11.463 0.569 -11.615 1.00 50.34 N ATOM 695 CA ALA A 46 10.763 1.181 -12.738 1.00 61.55 C ATOM 696 C ALA A 46 9.424 1.763 -12.299 1.00 71.15 C ATOM 697 O ALA A 46 9.101 2.909 -12.614 1.00 54.12 O ATOM 698 CB ALA A 46 10.559 0.162 -13.850 1.00 50.24 C ATOM 0 H ALA A 46 11.652 -0.427 -11.727 1.00 50.34 H new ATOM 0 HA ALA A 46 11.377 1.998 -13.116 1.00 61.55 H new ATOM 0 HB1 ALA A 46 10.035 0.632 -14.682 1.00 50.24 H new ATOM 0 HB2 ALA A 46 11.528 -0.204 -14.191 1.00 50.24 H new ATOM 0 HB3 ALA A 46 9.968 -0.673 -13.474 1.00 50.24 H new ATOM 704 N LEU A 47 8.648 0.967 -11.572 1.00 1.10 N ATOM 705 CA LEU A 47 7.342 1.404 -11.090 1.00 23.31 C ATOM 706 C LEU A 47 7.459 2.708 -10.308 1.00 53.20 C ATOM 707 O LEU A 47 6.511 3.492 -10.245 1.00 42.10 O ATOM 708 CB LEU A 47 6.714 0.322 -10.209 1.00 42.21 C ATOM 709 CG LEU A 47 7.188 0.281 -8.756 1.00 11.42 C ATOM 710 CD1 LEU A 47 6.251 1.083 -7.866 1.00 53.21 C ATOM 711 CD2 LEU A 47 7.289 -1.157 -8.268 1.00 42.51 C ATOM 0 H LEU A 47 8.900 0.016 -11.303 1.00 1.10 H new ATOM 0 HA LEU A 47 6.702 1.577 -11.955 1.00 23.31 H new ATOM 0 HB2 LEU A 47 5.633 0.460 -10.214 1.00 42.21 H new ATOM 0 HB3 LEU A 47 6.913 -0.649 -10.663 1.00 42.21 H new ATOM 0 HG LEU A 47 8.179 0.732 -8.705 1.00 11.42 H new ATOM 0 HD11 LEU A 47 6.604 1.042 -6.836 1.00 53.21 H new ATOM 0 HD12 LEU A 47 6.229 2.120 -8.201 1.00 53.21 H new ATOM 0 HD13 LEU A 47 5.247 0.662 -7.922 1.00 53.21 H new ATOM 0 HD21 LEU A 47 7.628 -1.167 -7.232 1.00 42.51 H new ATOM 0 HD22 LEU A 47 6.311 -1.633 -8.334 1.00 42.51 H new ATOM 0 HD23 LEU A 47 8.001 -1.702 -8.888 1.00 42.51 H new ATOM 723 N ILE A 48 8.626 2.935 -9.716 1.00 65.20 N ATOM 724 CA ILE A 48 8.867 4.146 -8.942 1.00 24.15 C ATOM 725 C ILE A 48 9.037 5.357 -9.853 1.00 34.31 C ATOM 726 O ILE A 48 8.454 6.415 -9.613 1.00 60.43 O ATOM 727 CB ILE A 48 10.118 4.007 -8.054 1.00 23.12 C ATOM 728 CG1 ILE A 48 9.981 2.797 -7.127 1.00 61.15 C ATOM 729 CG2 ILE A 48 10.338 5.277 -7.246 1.00 1.11 C ATOM 730 CD1 ILE A 48 11.284 2.379 -6.482 1.00 71.15 C ATOM 0 H ILE A 48 9.420 2.296 -9.757 1.00 65.20 H new ATOM 0 HA ILE A 48 7.994 4.292 -8.306 1.00 24.15 H new ATOM 0 HB ILE A 48 10.985 3.853 -8.696 1.00 23.12 H new ATOM 0 HG12 ILE A 48 9.256 3.028 -6.346 1.00 61.15 H new ATOM 0 HG13 ILE A 48 9.581 1.958 -7.695 1.00 61.15 H new ATOM 0 HG21 ILE A 48 11.226 5.163 -6.624 1.00 1.11 H new ATOM 0 HG22 ILE A 48 10.475 6.120 -7.923 1.00 1.11 H new ATOM 0 HG23 ILE A 48 9.471 5.459 -6.611 1.00 1.11 H new ATOM 0 HD11 ILE A 48 11.111 1.516 -5.839 1.00 71.15 H new ATOM 0 HD12 ILE A 48 12.005 2.116 -7.256 1.00 71.15 H new ATOM 0 HD13 ILE A 48 11.676 3.203 -5.886 1.00 71.15 H new ATOM 742 N LYS A 49 9.837 5.194 -10.901 1.00 11.10 N ATOM 743 CA LYS A 49 10.082 6.272 -11.852 1.00 15.01 C ATOM 744 C LYS A 49 8.852 6.522 -12.719 1.00 70.24 C ATOM 745 O LYS A 49 8.391 7.657 -12.847 1.00 64.41 O ATOM 746 CB LYS A 49 11.284 5.936 -12.737 1.00 74.33 C ATOM 747 CG LYS A 49 12.615 6.360 -12.142 1.00 21.41 C ATOM 748 CD LYS A 49 13.190 5.282 -11.237 1.00 54.41 C ATOM 749 CE LYS A 49 14.655 5.541 -10.924 1.00 65.23 C ATOM 750 NZ LYS A 49 15.537 5.202 -12.076 1.00 75.10 N ATOM 0 H LYS A 49 10.327 4.325 -11.114 1.00 11.10 H new ATOM 0 HA LYS A 49 10.297 7.179 -11.288 1.00 15.01 H new ATOM 0 HB2 LYS A 49 11.302 4.861 -12.918 1.00 74.33 H new ATOM 0 HB3 LYS A 49 11.158 6.420 -13.706 1.00 74.33 H new ATOM 0 HG2 LYS A 49 13.320 6.577 -12.944 1.00 21.41 H new ATOM 0 HG3 LYS A 49 12.484 7.281 -11.574 1.00 21.41 H new ATOM 0 HD2 LYS A 49 12.620 5.242 -10.309 1.00 54.41 H new ATOM 0 HD3 LYS A 49 13.086 4.309 -11.717 1.00 54.41 H new ATOM 0 HE2 LYS A 49 14.790 6.590 -10.660 1.00 65.23 H new ATOM 0 HE3 LYS A 49 14.950 4.953 -10.055 1.00 65.23 H new ATOM 0 HZ1 LYS A 49 16.532 5.246 -11.776 1.00 75.10 H new ATOM 0 HZ2 LYS A 49 15.318 4.242 -12.410 1.00 75.10 H new ATOM 0 HZ3 LYS A 49 15.378 5.881 -12.847 1.00 75.10 H new ATOM 764 N ILE A 50 8.325 5.456 -13.312 1.00 31.53 N ATOM 765 CA ILE A 50 7.147 5.560 -14.164 1.00 64.14 C ATOM 766 C ILE A 50 5.900 5.869 -13.344 1.00 31.55 C ATOM 767 O ILE A 50 4.931 6.429 -13.854 1.00 40.11 O ATOM 768 CB ILE A 50 6.915 4.264 -14.964 1.00 14.41 C ATOM 769 CG1 ILE A 50 6.519 3.123 -14.024 1.00 44.42 C ATOM 770 CG2 ILE A 50 8.162 3.899 -15.755 1.00 31.33 C ATOM 771 CD1 ILE A 50 5.040 2.808 -14.046 1.00 22.24 C ATOM 0 H ILE A 50 8.695 4.510 -13.218 1.00 31.53 H new ATOM 0 HA ILE A 50 7.332 6.378 -14.860 1.00 64.14 H new ATOM 0 HB ILE A 50 6.099 4.429 -15.667 1.00 14.41 H new ATOM 0 HG12 ILE A 50 7.077 2.228 -14.297 1.00 44.42 H new ATOM 0 HG13 ILE A 50 6.812 3.383 -13.007 1.00 44.42 H new ATOM 0 HG21 ILE A 50 7.982 2.981 -16.315 1.00 31.33 H new ATOM 0 HG22 ILE A 50 8.402 4.705 -16.448 1.00 31.33 H new ATOM 0 HG23 ILE A 50 8.996 3.748 -15.070 1.00 31.33 H new ATOM 0 HD11 ILE A 50 4.832 1.990 -13.356 1.00 22.24 H new ATOM 0 HD12 ILE A 50 4.476 3.690 -13.743 1.00 22.24 H new ATOM 0 HD13 ILE A 50 4.745 2.517 -15.054 1.00 22.24 H new ATOM 783 N GLY A 51 5.932 5.500 -12.066 1.00 60.34 N ATOM 784 CA GLY A 51 4.799 5.747 -11.194 1.00 72.12 C ATOM 785 C GLY A 51 4.913 7.065 -10.454 1.00 64.31 C ATOM 786 O GLY A 51 4.280 7.258 -9.417 1.00 71.10 O ATOM 0 H GLY A 51 6.723 5.035 -11.620 1.00 60.34 H new ATOM 0 HA2 GLY A 51 3.883 5.743 -11.784 1.00 72.12 H new ATOM 0 HA3 GLY A 51 4.716 4.935 -10.472 1.00 72.12 H new ATOM 790 N GLU A 52 5.725 7.973 -10.987 1.00 60.42 N ATOM 791 CA GLU A 52 5.922 9.278 -10.368 1.00 31.12 C ATOM 792 C GLU A 52 5.070 10.341 -11.056 1.00 31.31 C ATOM 793 O GLU A 52 4.712 11.352 -10.452 1.00 51.12 O ATOM 794 CB GLU A 52 7.398 9.677 -10.424 1.00 60.44 C ATOM 795 CG GLU A 52 7.727 10.911 -9.602 1.00 51.32 C ATOM 796 CD GLU A 52 8.998 11.597 -10.063 1.00 43.40 C ATOM 797 OE1 GLU A 52 9.934 10.888 -10.489 1.00 75.22 O ATOM 798 OE2 GLU A 52 9.058 12.843 -9.997 1.00 63.14 O ATOM 0 H GLU A 52 6.256 7.829 -11.846 1.00 60.42 H new ATOM 0 HA GLU A 52 5.612 9.207 -9.325 1.00 31.12 H new ATOM 0 HB2 GLU A 52 8.005 8.843 -10.071 1.00 60.44 H new ATOM 0 HB3 GLU A 52 7.678 9.857 -11.462 1.00 60.44 H new ATOM 0 HG2 GLU A 52 6.897 11.615 -9.662 1.00 51.32 H new ATOM 0 HG3 GLU A 52 7.831 10.628 -8.554 1.00 51.32 H new ATOM 805 N VAL A 53 4.749 10.104 -12.324 1.00 63.10 N ATOM 806 CA VAL A 53 3.939 11.039 -13.095 1.00 43.32 C ATOM 807 C VAL A 53 2.517 11.112 -12.552 1.00 73.11 C ATOM 808 O VAL A 53 2.002 10.162 -11.962 1.00 74.12 O ATOM 809 CB VAL A 53 3.890 10.644 -14.583 1.00 55.31 C ATOM 810 CG1 VAL A 53 5.294 10.554 -15.159 1.00 44.22 C ATOM 811 CG2 VAL A 53 3.147 9.329 -14.760 1.00 75.30 C ATOM 0 H VAL A 53 5.038 9.272 -12.839 1.00 63.10 H new ATOM 0 HA VAL A 53 4.410 12.018 -13.002 1.00 43.32 H new ATOM 0 HB VAL A 53 3.349 11.417 -15.128 1.00 55.31 H new ATOM 0 HG11 VAL A 53 5.238 10.274 -16.211 1.00 44.22 H new ATOM 0 HG12 VAL A 53 5.788 11.521 -15.067 1.00 44.22 H new ATOM 0 HG13 VAL A 53 5.864 9.802 -14.613 1.00 44.22 H new ATOM 0 HG21 VAL A 53 3.122 9.065 -15.817 1.00 75.30 H new ATOM 0 HG22 VAL A 53 3.658 8.544 -14.202 1.00 75.30 H new ATOM 0 HG23 VAL A 53 2.128 9.434 -14.388 1.00 75.30 H new ATOM 821 N PRO A 54 1.864 12.266 -12.755 1.00 1.10 N ATOM 822 CA PRO A 54 0.491 12.491 -12.294 1.00 73.51 C ATOM 823 C PRO A 54 -0.525 11.665 -13.076 1.00 53.11 C ATOM 824 O PRO A 54 -0.219 11.082 -14.116 1.00 24.40 O ATOM 825 CB PRO A 54 0.272 13.985 -12.545 1.00 23.34 C ATOM 826 CG PRO A 54 1.217 14.327 -13.645 1.00 21.54 C ATOM 827 CD PRO A 54 2.417 13.441 -13.450 1.00 75.44 C ATOM 0 HA PRO A 54 0.357 12.196 -11.253 1.00 73.51 H new ATOM 0 HB2 PRO A 54 -0.759 14.191 -12.831 1.00 23.34 H new ATOM 0 HB3 PRO A 54 0.478 14.571 -11.649 1.00 23.34 H new ATOM 0 HG2 PRO A 54 0.760 14.156 -14.620 1.00 21.54 H new ATOM 0 HG3 PRO A 54 1.498 15.379 -13.605 1.00 21.54 H new ATOM 0 HD2 PRO A 54 2.873 13.167 -14.401 1.00 75.44 H new ATOM 0 HD3 PRO A 54 3.188 13.933 -12.857 1.00 75.44 H new ATOM 835 N PRO A 55 -1.765 11.614 -12.567 1.00 30.23 N ATOM 836 CA PRO A 55 -2.852 10.863 -13.203 1.00 2.13 C ATOM 837 C PRO A 55 -3.310 11.501 -14.510 1.00 3.44 C ATOM 838 O PRO A 55 -4.101 10.920 -15.252 1.00 33.44 O ATOM 839 CB PRO A 55 -3.973 10.912 -12.162 1.00 12.21 C ATOM 840 CG PRO A 55 -3.698 12.141 -11.366 1.00 2.00 C ATOM 841 CD PRO A 55 -2.201 12.285 -11.331 1.00 35.02 C ATOM 0 HA PRO A 55 -2.546 9.852 -13.473 1.00 2.13 H new ATOM 0 HB2 PRO A 55 -4.953 10.959 -12.637 1.00 12.21 H new ATOM 0 HB3 PRO A 55 -3.967 10.023 -11.532 1.00 12.21 H new ATOM 0 HG2 PRO A 55 -4.164 13.014 -11.823 1.00 2.00 H new ATOM 0 HG3 PRO A 55 -4.105 12.053 -10.359 1.00 2.00 H new ATOM 0 HD2 PRO A 55 -1.898 13.332 -11.314 1.00 35.02 H new ATOM 0 HD3 PRO A 55 -1.773 11.815 -10.446 1.00 35.02 H new ATOM 849 N ASP A 56 -2.807 12.700 -14.785 1.00 61.43 N ATOM 850 CA ASP A 56 -3.163 13.416 -16.004 1.00 54.43 C ATOM 851 C ASP A 56 -2.548 12.746 -17.229 1.00 35.33 C ATOM 852 O ASP A 56 -3.065 12.868 -18.339 1.00 45.01 O ATOM 853 CB ASP A 56 -2.702 14.872 -15.919 1.00 2.00 C ATOM 854 CG ASP A 56 -3.709 15.835 -16.516 1.00 34.13 C ATOM 855 OD1 ASP A 56 -4.814 15.966 -15.948 1.00 30.24 O ATOM 856 OD2 ASP A 56 -3.393 16.458 -17.550 1.00 50.23 O ATOM 0 H ASP A 56 -2.152 13.196 -14.180 1.00 61.43 H new ATOM 0 HA ASP A 56 -4.248 13.391 -16.106 1.00 54.43 H new ATOM 0 HB2 ASP A 56 -2.528 15.134 -14.875 1.00 2.00 H new ATOM 0 HB3 ASP A 56 -1.750 14.979 -16.438 1.00 2.00 H new ATOM 861 N GLN A 57 -1.443 12.039 -17.017 1.00 72.51 N ATOM 862 CA GLN A 57 -0.757 11.350 -18.104 1.00 54.34 C ATOM 863 C GLN A 57 -1.169 9.883 -18.165 1.00 51.14 C ATOM 864 O GLN A 57 -1.111 9.255 -19.223 1.00 74.42 O ATOM 865 CB GLN A 57 0.758 11.460 -17.930 1.00 43.20 C ATOM 866 CG GLN A 57 1.239 12.878 -17.667 1.00 43.01 C ATOM 867 CD GLN A 57 1.111 13.773 -18.884 1.00 14.01 C ATOM 868 OE1 GLN A 57 0.381 13.460 -19.825 1.00 34.12 O ATOM 869 NE2 GLN A 57 1.821 14.895 -18.872 1.00 31.13 N ATOM 0 H GLN A 57 -1.004 11.928 -16.103 1.00 72.51 H new ATOM 0 HA GLN A 57 -1.043 11.828 -19.041 1.00 54.34 H new ATOM 0 HB2 GLN A 57 1.068 10.821 -17.103 1.00 43.20 H new ATOM 0 HB3 GLN A 57 1.247 11.080 -18.827 1.00 43.20 H new ATOM 0 HG2 GLN A 57 0.665 13.305 -16.845 1.00 43.01 H new ATOM 0 HG3 GLN A 57 2.281 12.851 -17.349 1.00 43.01 H new ATOM 0 HE21 GLN A 57 2.413 15.115 -18.071 1.00 31.13 H new ATOM 0 HE22 GLN A 57 1.774 15.537 -19.663 1.00 31.13 H new ATOM 878 N LEU A 58 -1.584 9.342 -17.025 1.00 51.51 N ATOM 879 CA LEU A 58 -2.006 7.948 -16.948 1.00 64.14 C ATOM 880 C LEU A 58 -3.051 7.636 -18.014 1.00 34.30 C ATOM 881 O LEU A 58 -3.959 8.431 -18.259 1.00 64.14 O ATOM 882 CB LEU A 58 -2.569 7.640 -15.560 1.00 5.54 C ATOM 883 CG LEU A 58 -1.542 7.293 -14.481 1.00 2.50 C ATOM 884 CD1 LEU A 58 -2.210 7.200 -13.118 1.00 52.01 C ATOM 885 CD2 LEU A 58 -0.832 5.991 -14.820 1.00 32.45 C ATOM 0 H LEU A 58 -1.637 9.848 -16.141 1.00 51.51 H new ATOM 0 HA LEU A 58 -1.133 7.320 -17.126 1.00 64.14 H new ATOM 0 HB2 LEU A 58 -3.143 8.503 -15.223 1.00 5.54 H new ATOM 0 HB3 LEU A 58 -3.267 6.808 -15.650 1.00 5.54 H new ATOM 0 HG LEU A 58 -0.799 8.089 -14.444 1.00 2.50 H new ATOM 0 HD11 LEU A 58 -1.464 6.952 -12.363 1.00 52.01 H new ATOM 0 HD12 LEU A 58 -2.671 8.157 -12.873 1.00 52.01 H new ATOM 0 HD13 LEU A 58 -2.975 6.424 -13.140 1.00 52.01 H new ATOM 0 HD21 LEU A 58 -0.105 5.760 -14.042 1.00 32.45 H new ATOM 0 HD22 LEU A 58 -1.562 5.185 -14.886 1.00 32.45 H new ATOM 0 HD23 LEU A 58 -0.319 6.095 -15.776 1.00 32.45 H new ATOM 897 N ASP A 59 -2.919 6.473 -18.642 1.00 71.32 N ATOM 898 CA ASP A 59 -3.854 6.053 -19.679 1.00 55.34 C ATOM 899 C ASP A 59 -4.562 4.761 -19.283 1.00 41.20 C ATOM 900 O ASP A 59 -4.292 4.194 -18.224 1.00 73.14 O ATOM 901 CB ASP A 59 -3.123 5.862 -21.009 1.00 22.42 C ATOM 902 CG ASP A 59 -4.009 6.152 -22.204 1.00 64.34 C ATOM 903 OD1 ASP A 59 -4.419 7.319 -22.369 1.00 11.44 O ATOM 904 OD2 ASP A 59 -4.292 5.211 -22.975 1.00 72.24 O ATOM 0 H ASP A 59 -2.173 5.804 -18.451 1.00 71.32 H new ATOM 0 HA ASP A 59 -4.604 6.836 -19.795 1.00 55.34 H new ATOM 0 HB2 ASP A 59 -2.252 6.517 -21.039 1.00 22.42 H new ATOM 0 HB3 ASP A 59 -2.754 4.838 -21.074 1.00 22.42 H new ATOM 909 N SER A 60 -5.469 4.302 -20.140 1.00 2.25 N ATOM 910 CA SER A 60 -6.219 3.080 -19.876 1.00 61.35 C ATOM 911 C SER A 60 -5.313 1.856 -19.969 1.00 64.22 C ATOM 912 O SER A 60 -5.529 0.858 -19.282 1.00 63.34 O ATOM 913 CB SER A 60 -7.379 2.945 -20.865 1.00 0.33 C ATOM 914 OG SER A 60 -6.919 3.014 -22.203 1.00 71.24 O ATOM 0 H SER A 60 -5.702 4.758 -21.022 1.00 2.25 H new ATOM 0 HA SER A 60 -6.618 3.140 -18.864 1.00 61.35 H new ATOM 0 HB2 SER A 60 -7.892 1.997 -20.702 1.00 0.33 H new ATOM 0 HB3 SER A 60 -8.107 3.736 -20.686 1.00 0.33 H new ATOM 0 HG SER A 60 -7.679 2.923 -22.815 1.00 71.24 H new ATOM 920 N GLN A 61 -4.298 1.942 -20.823 1.00 71.04 N ATOM 921 CA GLN A 61 -3.359 0.842 -21.007 1.00 31.40 C ATOM 922 C GLN A 61 -2.296 0.845 -19.914 1.00 3.42 C ATOM 923 O GLN A 61 -1.724 -0.195 -19.587 1.00 11.24 O ATOM 924 CB GLN A 61 -2.695 0.934 -22.382 1.00 3.23 C ATOM 925 CG GLN A 61 -1.549 -0.047 -22.571 1.00 73.11 C ATOM 926 CD GLN A 61 -1.379 -0.474 -24.016 1.00 35.12 C ATOM 927 OE1 GLN A 61 -0.289 -0.377 -24.580 1.00 13.21 O ATOM 928 NE2 GLN A 61 -2.460 -0.951 -24.623 1.00 43.23 N ATOM 0 H GLN A 61 -4.105 2.762 -21.398 1.00 71.04 H new ATOM 0 HA GLN A 61 -3.917 -0.092 -20.943 1.00 31.40 H new ATOM 0 HB2 GLN A 61 -3.446 0.755 -23.152 1.00 3.23 H new ATOM 0 HB3 GLN A 61 -2.323 1.948 -22.529 1.00 3.23 H new ATOM 0 HG2 GLN A 61 -0.624 0.409 -22.220 1.00 73.11 H new ATOM 0 HG3 GLN A 61 -1.724 -0.928 -21.954 1.00 73.11 H new ATOM 0 HE21 GLN A 61 -3.343 -1.014 -24.117 1.00 43.23 H new ATOM 0 HE22 GLN A 61 -2.407 -1.255 -25.595 1.00 43.23 H new ATOM 937 N ASP A 62 -2.035 2.021 -19.353 1.00 51.10 N ATOM 938 CA ASP A 62 -1.040 2.160 -18.296 1.00 15.23 C ATOM 939 C ASP A 62 -1.297 1.160 -17.173 1.00 14.12 C ATOM 940 O ASP A 62 -0.365 0.566 -16.630 1.00 75.03 O ATOM 941 CB ASP A 62 -1.052 3.585 -17.739 1.00 74.22 C ATOM 942 CG ASP A 62 0.152 3.875 -16.866 1.00 1.25 C ATOM 943 OD1 ASP A 62 0.257 3.268 -15.780 1.00 23.51 O ATOM 944 OD2 ASP A 62 0.989 4.711 -17.267 1.00 61.10 O ATOM 0 H ASP A 62 -2.499 2.892 -19.613 1.00 51.10 H new ATOM 0 HA ASP A 62 -0.059 1.954 -18.725 1.00 15.23 H new ATOM 0 HB2 ASP A 62 -1.077 4.295 -18.566 1.00 74.22 H new ATOM 0 HB3 ASP A 62 -1.963 3.738 -17.160 1.00 74.22 H new ATOM 949 N LYS A 63 -2.568 0.979 -16.828 1.00 2.43 N ATOM 950 CA LYS A 63 -2.949 0.052 -15.770 1.00 31.54 C ATOM 951 C LYS A 63 -2.783 -1.394 -16.228 1.00 10.15 C ATOM 952 O LYS A 63 -2.452 -2.274 -15.432 1.00 34.04 O ATOM 953 CB LYS A 63 -4.398 0.299 -15.343 1.00 42.43 C ATOM 954 CG LYS A 63 -4.653 1.712 -14.848 1.00 2.32 C ATOM 955 CD LYS A 63 -6.084 2.148 -15.116 1.00 63.41 C ATOM 956 CE LYS A 63 -7.009 1.753 -13.976 1.00 35.04 C ATOM 957 NZ LYS A 63 -7.507 0.357 -14.123 1.00 54.31 N ATOM 0 H LYS A 63 -3.352 1.463 -17.267 1.00 2.43 H new ATOM 0 HA LYS A 63 -2.291 0.223 -14.918 1.00 31.54 H new ATOM 0 HB2 LYS A 63 -5.057 0.094 -16.187 1.00 42.43 H new ATOM 0 HB3 LYS A 63 -4.661 -0.406 -14.555 1.00 42.43 H new ATOM 0 HG2 LYS A 63 -4.450 1.766 -13.778 1.00 2.32 H new ATOM 0 HG3 LYS A 63 -3.964 2.400 -15.338 1.00 2.32 H new ATOM 0 HD2 LYS A 63 -6.116 3.229 -15.255 1.00 63.41 H new ATOM 0 HD3 LYS A 63 -6.435 1.697 -16.044 1.00 63.41 H new ATOM 0 HE2 LYS A 63 -6.480 1.852 -13.028 1.00 35.04 H new ATOM 0 HE3 LYS A 63 -7.856 2.439 -13.941 1.00 35.04 H new ATOM 0 HZ1 LYS A 63 -8.464 0.286 -13.723 1.00 54.31 H new ATOM 0 HZ2 LYS A 63 -7.533 0.102 -15.131 1.00 54.31 H new ATOM 0 HZ3 LYS A 63 -6.872 -0.293 -13.618 1.00 54.31 H new ATOM 971 N LEU A 64 -3.013 -1.632 -17.514 1.00 62.11 N ATOM 972 CA LEU A 64 -2.887 -2.971 -18.079 1.00 21.44 C ATOM 973 C LEU A 64 -1.454 -3.480 -17.960 1.00 22.03 C ATOM 974 O LEU A 64 -1.218 -4.685 -17.875 1.00 63.23 O ATOM 975 CB LEU A 64 -3.320 -2.971 -19.546 1.00 1.53 C ATOM 976 CG LEU A 64 -4.727 -2.443 -19.830 1.00 62.51 C ATOM 977 CD1 LEU A 64 -5.069 -2.603 -21.303 1.00 70.22 C ATOM 978 CD2 LEU A 64 -5.750 -3.161 -18.962 1.00 55.40 C ATOM 0 H LEU A 64 -3.288 -0.915 -18.186 1.00 62.11 H new ATOM 0 HA LEU A 64 -3.538 -3.639 -17.515 1.00 21.44 H new ATOM 0 HB2 LEU A 64 -2.608 -2.373 -20.114 1.00 1.53 H new ATOM 0 HB3 LEU A 64 -3.253 -3.991 -19.924 1.00 1.53 H new ATOM 0 HG LEU A 64 -4.753 -1.381 -19.585 1.00 62.51 H new ATOM 0 HD11 LEU A 64 -6.074 -2.222 -21.487 1.00 70.22 H new ATOM 0 HD12 LEU A 64 -4.353 -2.044 -21.906 1.00 70.22 H new ATOM 0 HD13 LEU A 64 -5.026 -3.658 -21.574 1.00 70.22 H new ATOM 0 HD21 LEU A 64 -6.746 -2.773 -19.177 1.00 55.40 H new ATOM 0 HD22 LEU A 64 -5.723 -4.229 -19.176 1.00 55.40 H new ATOM 0 HD23 LEU A 64 -5.515 -2.995 -17.911 1.00 55.40 H new ATOM 990 N TRP A 65 -0.502 -2.554 -17.952 1.00 10.02 N ATOM 991 CA TRP A 65 0.908 -2.909 -17.841 1.00 4.23 C ATOM 992 C TRP A 65 1.250 -3.343 -16.420 1.00 21.42 C ATOM 993 O TRP A 65 1.953 -4.333 -16.216 1.00 2.52 O ATOM 994 CB TRP A 65 1.787 -1.726 -18.251 1.00 11.33 C ATOM 995 CG TRP A 65 3.245 -1.949 -17.986 1.00 1.11 C ATOM 996 CD1 TRP A 65 3.933 -3.121 -18.123 1.00 41.43 C ATOM 997 CD2 TRP A 65 4.193 -0.975 -17.536 1.00 43.12 C ATOM 998 NE1 TRP A 65 5.252 -2.934 -17.786 1.00 40.42 N ATOM 999 CE2 TRP A 65 5.437 -1.626 -17.423 1.00 44.24 C ATOM 1000 CE3 TRP A 65 4.113 0.384 -17.220 1.00 61.11 C ATOM 1001 CZ2 TRP A 65 6.589 -0.963 -17.007 1.00 32.03 C ATOM 1002 CZ3 TRP A 65 5.257 1.040 -16.806 1.00 54.24 C ATOM 1003 CH2 TRP A 65 6.481 0.367 -16.703 1.00 43.05 C ATOM 0 H TRP A 65 -0.681 -1.552 -18.021 1.00 10.02 H new ATOM 0 HA TRP A 65 1.100 -3.746 -18.513 1.00 4.23 H new ATOM 0 HB2 TRP A 65 1.644 -1.528 -19.313 1.00 11.33 H new ATOM 0 HB3 TRP A 65 1.459 -0.836 -17.714 1.00 11.33 H new ATOM 0 HD1 TRP A 65 3.504 -4.057 -18.448 1.00 41.43 H new ATOM 0 HE1 TRP A 65 5.976 -3.652 -17.803 1.00 40.42 H new ATOM 0 HE3 TRP A 65 3.174 0.912 -17.298 1.00 61.11 H new ATOM 0 HZ2 TRP A 65 7.534 -1.480 -16.927 1.00 32.03 H new ATOM 0 HZ3 TRP A 65 5.206 2.090 -16.558 1.00 54.24 H new ATOM 0 HH2 TRP A 65 7.357 0.908 -16.377 1.00 43.05 H new ATOM 1014 N ALA A 66 0.748 -2.598 -15.441 1.00 30.23 N ATOM 1015 CA ALA A 66 0.999 -2.909 -14.039 1.00 12.32 C ATOM 1016 C ALA A 66 0.610 -4.348 -13.717 1.00 40.32 C ATOM 1017 O ALA A 66 1.184 -4.971 -12.824 1.00 64.25 O ATOM 1018 CB ALA A 66 0.242 -1.942 -13.140 1.00 74.04 C ATOM 0 H ALA A 66 0.165 -1.775 -15.593 1.00 30.23 H new ATOM 0 HA ALA A 66 2.068 -2.799 -13.854 1.00 12.32 H new ATOM 0 HB1 ALA A 66 0.439 -2.186 -12.096 1.00 74.04 H new ATOM 0 HB2 ALA A 66 0.571 -0.923 -13.343 1.00 74.04 H new ATOM 0 HB3 ALA A 66 -0.827 -2.024 -13.336 1.00 74.04 H new ATOM 1024 N ASP A 67 -0.368 -4.869 -14.449 1.00 54.22 N ATOM 1025 CA ASP A 67 -0.834 -6.235 -14.242 1.00 21.21 C ATOM 1026 C ASP A 67 0.174 -7.241 -14.788 1.00 63.50 C ATOM 1027 O ASP A 67 0.290 -8.356 -14.279 1.00 44.22 O ATOM 1028 CB ASP A 67 -2.193 -6.441 -14.913 1.00 0.04 C ATOM 1029 CG ASP A 67 -2.537 -7.907 -15.086 1.00 31.34 C ATOM 1030 OD1 ASP A 67 -2.417 -8.666 -14.100 1.00 53.53 O ATOM 1031 OD2 ASP A 67 -2.927 -8.297 -16.206 1.00 50.51 O ATOM 0 H ASP A 67 -0.854 -4.366 -15.191 1.00 54.22 H new ATOM 0 HA ASP A 67 -0.939 -6.398 -13.169 1.00 21.21 H new ATOM 0 HB2 ASP A 67 -2.966 -5.957 -14.316 1.00 0.04 H new ATOM 0 HB3 ASP A 67 -2.191 -5.954 -15.888 1.00 0.04 H new ATOM 1036 N GLU A 68 0.900 -6.840 -15.827 1.00 72.22 N ATOM 1037 CA GLU A 68 1.897 -7.708 -16.443 1.00 35.41 C ATOM 1038 C GLU A 68 3.099 -7.895 -15.522 1.00 50.21 C ATOM 1039 O GLU A 68 3.736 -8.948 -15.520 1.00 21.31 O ATOM 1040 CB GLU A 68 2.352 -7.128 -17.784 1.00 20.44 C ATOM 1041 CG GLU A 68 1.210 -6.857 -18.749 1.00 3.24 C ATOM 1042 CD GLU A 68 1.695 -6.481 -20.135 1.00 44.42 C ATOM 1043 OE1 GLU A 68 2.112 -7.389 -20.884 1.00 24.21 O ATOM 1044 OE2 GLU A 68 1.658 -5.279 -20.472 1.00 5.34 O ATOM 0 H GLU A 68 0.816 -5.920 -16.260 1.00 72.22 H new ATOM 0 HA GLU A 68 1.438 -8.682 -16.614 1.00 35.41 H new ATOM 0 HB2 GLU A 68 2.892 -6.199 -17.604 1.00 20.44 H new ATOM 0 HB3 GLU A 68 3.054 -7.820 -18.250 1.00 20.44 H new ATOM 0 HG2 GLU A 68 0.579 -7.743 -18.817 1.00 3.24 H new ATOM 0 HG3 GLU A 68 0.589 -6.053 -18.355 1.00 3.24 H new ATOM 1051 N VAL A 69 3.404 -6.864 -14.741 1.00 0.33 N ATOM 1052 CA VAL A 69 4.529 -6.913 -13.815 1.00 2.34 C ATOM 1053 C VAL A 69 4.204 -7.775 -12.600 1.00 63.54 C ATOM 1054 O VAL A 69 5.008 -8.611 -12.187 1.00 62.32 O ATOM 1055 CB VAL A 69 4.925 -5.503 -13.338 1.00 4.23 C ATOM 1056 CG1 VAL A 69 6.205 -5.556 -12.517 1.00 62.44 C ATOM 1057 CG2 VAL A 69 5.082 -4.564 -14.524 1.00 51.22 C ATOM 0 H VAL A 69 2.888 -5.984 -14.731 1.00 0.33 H new ATOM 0 HA VAL A 69 5.366 -7.354 -14.357 1.00 2.34 H new ATOM 0 HB VAL A 69 4.129 -5.118 -12.701 1.00 4.23 H new ATOM 0 HG11 VAL A 69 6.469 -4.551 -12.189 1.00 62.44 H new ATOM 0 HG12 VAL A 69 6.053 -6.194 -11.646 1.00 62.44 H new ATOM 0 HG13 VAL A 69 7.012 -5.962 -13.127 1.00 62.44 H new ATOM 0 HG21 VAL A 69 5.362 -3.572 -14.168 1.00 51.22 H new ATOM 0 HG22 VAL A 69 5.858 -4.944 -15.188 1.00 51.22 H new ATOM 0 HG23 VAL A 69 4.139 -4.502 -15.066 1.00 51.22 H new ATOM 1067 N ARG A 70 3.021 -7.567 -12.033 1.00 73.32 N ATOM 1068 CA ARG A 70 2.589 -8.326 -10.865 1.00 43.22 C ATOM 1069 C ARG A 70 2.378 -9.795 -11.219 1.00 14.02 C ATOM 1070 O ARG A 70 2.872 -10.686 -10.529 1.00 34.10 O ATOM 1071 CB ARG A 70 1.298 -7.736 -10.296 1.00 55.12 C ATOM 1072 CG ARG A 70 1.529 -6.668 -9.240 1.00 3.02 C ATOM 1073 CD ARG A 70 1.451 -5.270 -9.834 1.00 71.40 C ATOM 1074 NE ARG A 70 0.086 -4.911 -10.210 1.00 21.13 N ATOM 1075 CZ ARG A 70 -0.822 -4.471 -9.346 1.00 51.11 C ATOM 1076 NH1 ARG A 70 -0.512 -4.336 -8.064 1.00 51.01 N ATOM 1077 NH2 ARG A 70 -2.043 -4.164 -9.764 1.00 74.15 N ATOM 0 H ARG A 70 2.344 -6.879 -12.363 1.00 73.32 H new ATOM 0 HA ARG A 70 3.373 -8.261 -10.110 1.00 43.22 H new ATOM 0 HB2 ARG A 70 0.714 -7.308 -11.111 1.00 55.12 H new ATOM 0 HB3 ARG A 70 0.701 -8.539 -9.864 1.00 55.12 H new ATOM 0 HG2 ARG A 70 0.786 -6.770 -8.449 1.00 3.02 H new ATOM 0 HG3 ARG A 70 2.506 -6.815 -8.780 1.00 3.02 H new ATOM 0 HD2 ARG A 70 1.830 -4.547 -9.111 1.00 71.40 H new ATOM 0 HD3 ARG A 70 2.096 -5.212 -10.711 1.00 71.40 H new ATOM 0 HE ARG A 70 -0.185 -5.003 -11.189 1.00 21.13 H new ATOM 0 HH11 ARG A 70 0.426 -4.570 -7.739 1.00 51.01 H new ATOM 0 HH12 ARG A 70 -1.211 -3.998 -7.403 1.00 51.01 H new ATOM 0 HH21 ARG A 70 -2.285 -4.266 -10.750 1.00 74.15 H new ATOM 0 HH22 ARG A 70 -2.740 -3.826 -9.100 1.00 74.15 H new ATOM 1091 N GLU A 71 1.640 -10.038 -12.297 1.00 72.55 N ATOM 1092 CA GLU A 71 1.362 -11.400 -12.741 1.00 1.41 C ATOM 1093 C GLU A 71 2.658 -12.177 -12.955 1.00 53.13 C ATOM 1094 O GLU A 71 2.712 -13.388 -12.738 1.00 32.12 O ATOM 1095 CB GLU A 71 0.545 -11.382 -14.035 1.00 3.44 C ATOM 1096 CG GLU A 71 1.348 -10.967 -15.256 1.00 5.41 C ATOM 1097 CD GLU A 71 0.529 -10.999 -16.531 1.00 41.44 C ATOM 1098 OE1 GLU A 71 -0.516 -10.317 -16.582 1.00 11.35 O ATOM 1099 OE2 GLU A 71 0.932 -11.705 -17.479 1.00 4.12 O ATOM 0 H GLU A 71 1.224 -9.311 -12.879 1.00 72.55 H new ATOM 0 HA GLU A 71 0.784 -11.898 -11.962 1.00 1.41 H new ATOM 0 HB2 GLU A 71 0.128 -12.375 -14.205 1.00 3.44 H new ATOM 0 HB3 GLU A 71 -0.296 -10.699 -13.914 1.00 3.44 H new ATOM 0 HG2 GLU A 71 1.738 -9.961 -15.105 1.00 5.41 H new ATOM 0 HG3 GLU A 71 2.207 -11.629 -15.364 1.00 5.41 H new ATOM 1106 N LEU A 72 3.699 -11.472 -13.384 1.00 22.33 N ATOM 1107 CA LEU A 72 4.996 -12.095 -13.629 1.00 14.04 C ATOM 1108 C LEU A 72 5.505 -12.803 -12.377 1.00 53.02 C ATOM 1109 O LEU A 72 6.256 -13.774 -12.464 1.00 22.14 O ATOM 1110 CB LEU A 72 6.010 -11.044 -14.083 1.00 24.34 C ATOM 1111 CG LEU A 72 7.149 -11.550 -14.969 1.00 40.02 C ATOM 1112 CD1 LEU A 72 6.612 -12.015 -16.314 1.00 2.10 C ATOM 1113 CD2 LEU A 72 8.200 -10.466 -15.158 1.00 53.53 C ATOM 0 H LEU A 72 3.671 -10.469 -13.569 1.00 22.33 H new ATOM 0 HA LEU A 72 4.873 -12.837 -14.418 1.00 14.04 H new ATOM 0 HB2 LEU A 72 5.476 -10.262 -14.623 1.00 24.34 H new ATOM 0 HB3 LEU A 72 6.444 -10.580 -13.197 1.00 24.34 H new ATOM 0 HG LEU A 72 7.618 -12.400 -14.474 1.00 40.02 H new ATOM 0 HD11 LEU A 72 7.436 -12.372 -16.931 1.00 2.10 H new ATOM 0 HD12 LEU A 72 5.897 -12.824 -16.161 1.00 2.10 H new ATOM 0 HD13 LEU A 72 6.117 -11.183 -16.815 1.00 2.10 H new ATOM 0 HD21 LEU A 72 9.003 -10.844 -15.791 1.00 53.53 H new ATOM 0 HD22 LEU A 72 7.744 -9.596 -15.631 1.00 53.53 H new ATOM 0 HD23 LEU A 72 8.607 -10.181 -14.188 1.00 53.53 H new ATOM 1125 N SER A 73 5.089 -12.311 -11.215 1.00 34.24 N ATOM 1126 CA SER A 73 5.504 -12.896 -9.945 1.00 13.32 C ATOM 1127 C SER A 73 5.251 -14.400 -9.931 1.00 31.21 C ATOM 1128 O SER A 73 6.014 -15.164 -9.338 1.00 54.23 O ATOM 1129 CB SER A 73 4.759 -12.231 -8.785 1.00 73.25 C ATOM 1130 OG SER A 73 5.204 -12.735 -7.538 1.00 14.11 O ATOM 0 H SER A 73 4.465 -11.509 -11.126 1.00 34.24 H new ATOM 0 HA SER A 73 6.574 -12.724 -9.827 1.00 13.32 H new ATOM 0 HB2 SER A 73 4.913 -11.152 -8.821 1.00 73.25 H new ATOM 0 HB3 SER A 73 3.688 -12.404 -8.890 1.00 73.25 H new ATOM 0 HG SER A 73 4.529 -12.552 -6.852 1.00 14.11 H new ATOM 1136 N TYR A 74 4.175 -14.819 -10.588 1.00 11.23 N ATOM 1137 CA TYR A 74 3.819 -16.231 -10.650 1.00 34.33 C ATOM 1138 C TYR A 74 4.949 -17.052 -11.264 1.00 54.34 C ATOM 1139 O TYR A 74 5.178 -18.199 -10.882 1.00 33.21 O ATOM 1140 CB TYR A 74 2.536 -16.420 -11.462 1.00 22.34 C ATOM 1141 CG TYR A 74 1.730 -17.630 -11.047 1.00 33.11 C ATOM 1142 CD1 TYR A 74 1.277 -17.773 -9.741 1.00 24.41 C ATOM 1143 CD2 TYR A 74 1.421 -18.630 -11.960 1.00 73.34 C ATOM 1144 CE1 TYR A 74 0.541 -18.877 -9.357 1.00 72.31 C ATOM 1145 CE2 TYR A 74 0.684 -19.737 -11.586 1.00 15.21 C ATOM 1146 CZ TYR A 74 0.246 -19.856 -10.283 1.00 41.02 C ATOM 1147 OH TYR A 74 -0.487 -20.957 -9.906 1.00 34.51 O ATOM 0 H TYR A 74 3.534 -14.200 -11.085 1.00 11.23 H new ATOM 0 HA TYR A 74 3.652 -16.582 -9.632 1.00 34.33 H new ATOM 0 HB2 TYR A 74 1.917 -15.529 -11.360 1.00 22.34 H new ATOM 0 HB3 TYR A 74 2.794 -16.510 -12.517 1.00 22.34 H new ATOM 0 HD1 TYR A 74 1.504 -17.008 -9.014 1.00 24.41 H new ATOM 0 HD2 TYR A 74 1.763 -18.541 -12.981 1.00 73.34 H new ATOM 0 HE1 TYR A 74 0.198 -18.973 -8.337 1.00 72.31 H new ATOM 0 HE2 TYR A 74 0.452 -20.505 -12.309 1.00 15.21 H new ATOM 0 HH TYR A 74 -0.607 -21.550 -10.677 1.00 34.51 H new ATOM 1157 N VAL A 75 5.653 -16.454 -12.220 1.00 1.30 N ATOM 1158 CA VAL A 75 6.761 -17.126 -12.888 1.00 31.52 C ATOM 1159 C VAL A 75 7.957 -17.276 -11.954 1.00 14.42 C ATOM 1160 O VAL A 75 8.627 -18.309 -11.947 1.00 52.43 O ATOM 1161 CB VAL A 75 7.202 -16.363 -14.151 1.00 31.13 C ATOM 1162 CG1 VAL A 75 8.223 -17.173 -14.935 1.00 2.31 C ATOM 1163 CG2 VAL A 75 5.998 -16.026 -15.017 1.00 34.31 C ATOM 0 H VAL A 75 5.475 -15.505 -12.549 1.00 1.30 H new ATOM 0 HA VAL A 75 6.403 -18.114 -13.177 1.00 31.52 H new ATOM 0 HB VAL A 75 7.673 -15.429 -13.844 1.00 31.13 H new ATOM 0 HG11 VAL A 75 8.523 -16.618 -15.824 1.00 2.31 H new ATOM 0 HG12 VAL A 75 9.097 -17.358 -14.311 1.00 2.31 H new ATOM 0 HG13 VAL A 75 7.782 -18.124 -15.233 1.00 2.31 H new ATOM 0 HG21 VAL A 75 6.328 -15.487 -15.905 1.00 34.31 H new ATOM 0 HG22 VAL A 75 5.496 -16.946 -15.317 1.00 34.31 H new ATOM 0 HG23 VAL A 75 5.306 -15.403 -14.451 1.00 34.31 H new ATOM 1173 N ILE A 76 8.218 -16.238 -11.166 1.00 40.12 N ATOM 1174 CA ILE A 76 9.332 -16.254 -10.227 1.00 23.33 C ATOM 1175 C ILE A 76 9.240 -17.450 -9.285 1.00 32.10 C ATOM 1176 O ILE A 76 10.256 -17.979 -8.837 1.00 64.53 O ATOM 1177 CB ILE A 76 9.384 -14.961 -9.392 1.00 42.12 C ATOM 1178 CG1 ILE A 76 9.513 -13.742 -10.308 1.00 53.02 C ATOM 1179 CG2 ILE A 76 10.541 -15.013 -8.406 1.00 20.14 C ATOM 1180 CD1 ILE A 76 9.457 -12.423 -9.570 1.00 14.10 C ATOM 0 H ILE A 76 7.673 -15.376 -11.160 1.00 40.12 H new ATOM 0 HA ILE A 76 10.243 -16.330 -10.820 1.00 23.33 H new ATOM 0 HB ILE A 76 8.455 -14.873 -8.828 1.00 42.12 H new ATOM 0 HG12 ILE A 76 10.455 -13.805 -10.852 1.00 53.02 H new ATOM 0 HG13 ILE A 76 8.714 -13.769 -11.049 1.00 53.02 H new ATOM 0 HG21 ILE A 76 10.564 -14.092 -7.823 1.00 20.14 H new ATOM 0 HG22 ILE A 76 10.410 -15.863 -7.736 1.00 20.14 H new ATOM 0 HG23 ILE A 76 11.479 -15.121 -8.951 1.00 20.14 H new ATOM 0 HD11 ILE A 76 9.555 -11.603 -10.282 1.00 14.10 H new ATOM 0 HD12 ILE A 76 8.504 -12.338 -9.048 1.00 14.10 H new ATOM 0 HD13 ILE A 76 10.272 -12.375 -8.848 1.00 14.10 H new ATOM 1192 N GLU A 77 8.014 -17.871 -8.991 1.00 33.25 N ATOM 1193 CA GLU A 77 7.789 -19.006 -8.103 1.00 2.14 C ATOM 1194 C GLU A 77 8.601 -20.218 -8.552 1.00 54.53 C ATOM 1195 O GLU A 77 9.080 -20.997 -7.729 1.00 31.31 O ATOM 1196 CB GLU A 77 6.302 -19.362 -8.060 1.00 13.22 C ATOM 1197 CG GLU A 77 5.438 -18.290 -7.417 1.00 34.14 C ATOM 1198 CD GLU A 77 3.960 -18.628 -7.461 1.00 0.22 C ATOM 1199 OE1 GLU A 77 3.628 -19.804 -7.717 1.00 64.33 O ATOM 1200 OE2 GLU A 77 3.136 -17.716 -7.239 1.00 73.53 O ATOM 0 H GLU A 77 7.162 -17.444 -9.354 1.00 33.25 H new ATOM 0 HA GLU A 77 8.116 -18.722 -7.103 1.00 2.14 H new ATOM 0 HB2 GLU A 77 5.950 -19.539 -9.076 1.00 13.22 H new ATOM 0 HB3 GLU A 77 6.176 -20.296 -7.512 1.00 13.22 H new ATOM 0 HG2 GLU A 77 5.745 -18.155 -6.380 1.00 34.14 H new ATOM 0 HG3 GLU A 77 5.605 -17.340 -7.926 1.00 34.14 H new ATOM 1207 N ASP A 78 8.749 -20.369 -9.864 1.00 3.34 N ATOM 1208 CA ASP A 78 9.503 -21.485 -10.424 1.00 53.51 C ATOM 1209 C ASP A 78 10.916 -21.528 -9.851 1.00 71.24 C ATOM 1210 O ASP A 78 11.505 -22.599 -9.708 1.00 2.01 O ATOM 1211 CB ASP A 78 9.560 -21.375 -11.948 1.00 51.55 C ATOM 1212 CG ASP A 78 10.097 -22.634 -12.600 1.00 53.21 C ATOM 1213 OD1 ASP A 78 11.330 -22.736 -12.766 1.00 21.13 O ATOM 1214 OD2 ASP A 78 9.283 -23.517 -12.945 1.00 44.32 O ATOM 0 H ASP A 78 8.357 -19.733 -10.559 1.00 3.34 H new ATOM 0 HA ASP A 78 8.993 -22.409 -10.153 1.00 53.51 H new ATOM 0 HB2 ASP A 78 8.561 -21.168 -12.332 1.00 51.55 H new ATOM 0 HB3 ASP A 78 10.189 -20.529 -12.225 1.00 51.55 H new ATOM 1219 N ALA A 79 11.454 -20.357 -9.527 1.00 31.10 N ATOM 1220 CA ALA A 79 12.797 -20.262 -8.969 1.00 43.24 C ATOM 1221 C ALA A 79 12.952 -21.168 -7.753 1.00 64.51 C ATOM 1222 O ALA A 79 13.915 -21.929 -7.652 1.00 71.31 O ATOM 1223 CB ALA A 79 13.114 -18.820 -8.599 1.00 61.34 C ATOM 0 H ALA A 79 10.980 -19.461 -9.641 1.00 31.10 H new ATOM 0 HA ALA A 79 13.504 -20.595 -9.729 1.00 43.24 H new ATOM 0 HB1 ALA A 79 14.120 -18.764 -8.183 1.00 61.34 H new ATOM 0 HB2 ALA A 79 13.054 -18.194 -9.489 1.00 61.34 H new ATOM 0 HB3 ALA A 79 12.396 -18.468 -7.859 1.00 61.34 H new ATOM 1229 N VAL A 80 11.999 -21.082 -6.831 1.00 1.13 N ATOM 1230 CA VAL A 80 12.030 -21.895 -5.621 1.00 32.01 C ATOM 1231 C VAL A 80 11.480 -23.292 -5.884 1.00 21.51 C ATOM 1232 O VAL A 80 11.832 -24.249 -5.194 1.00 23.23 O ATOM 1233 CB VAL A 80 11.220 -21.242 -4.485 1.00 70.01 C ATOM 1234 CG1 VAL A 80 11.857 -19.927 -4.063 1.00 12.22 C ATOM 1235 CG2 VAL A 80 9.776 -21.031 -4.914 1.00 72.22 C ATOM 0 H VAL A 80 11.196 -20.457 -6.899 1.00 1.13 H new ATOM 0 HA VAL A 80 13.074 -21.970 -5.316 1.00 32.01 H new ATOM 0 HB VAL A 80 11.225 -21.913 -3.626 1.00 70.01 H new ATOM 0 HG11 VAL A 80 11.271 -19.480 -3.260 1.00 12.22 H new ATOM 0 HG12 VAL A 80 12.873 -20.111 -3.713 1.00 12.22 H new ATOM 0 HG13 VAL A 80 11.884 -19.246 -4.914 1.00 12.22 H new ATOM 0 HG21 VAL A 80 9.218 -20.569 -4.099 1.00 72.22 H new ATOM 0 HG22 VAL A 80 9.747 -20.381 -5.788 1.00 72.22 H new ATOM 0 HG23 VAL A 80 9.326 -21.992 -5.162 1.00 72.22 H new ATOM 1245 N ASP A 81 10.615 -23.403 -6.886 1.00 45.03 N ATOM 1246 CA ASP A 81 10.017 -24.684 -7.242 1.00 64.44 C ATOM 1247 C ASP A 81 11.093 -25.746 -7.454 1.00 55.20 C ATOM 1248 O ASP A 81 10.934 -26.896 -7.045 1.00 31.20 O ATOM 1249 CB ASP A 81 9.168 -24.541 -8.507 1.00 25.54 C ATOM 1250 CG ASP A 81 8.445 -25.824 -8.866 1.00 70.32 C ATOM 1251 OD1 ASP A 81 7.876 -26.460 -7.954 1.00 43.23 O ATOM 1252 OD2 ASP A 81 8.448 -26.193 -10.060 1.00 22.24 O ATOM 0 H ASP A 81 10.312 -22.621 -7.466 1.00 45.03 H new ATOM 0 HA ASP A 81 9.377 -25.000 -6.418 1.00 64.44 H new ATOM 0 HB2 ASP A 81 8.438 -23.744 -8.363 1.00 25.54 H new ATOM 0 HB3 ASP A 81 9.807 -24.242 -9.338 1.00 25.54 H new ATOM 1257 N LYS A 82 12.187 -25.352 -8.097 1.00 32.23 N ATOM 1258 CA LYS A 82 13.289 -26.268 -8.363 1.00 63.35 C ATOM 1259 C LYS A 82 13.782 -26.917 -7.074 1.00 0.23 C ATOM 1260 O LYS A 82 14.325 -28.022 -7.091 1.00 15.13 O ATOM 1261 CB LYS A 82 14.441 -25.528 -9.047 1.00 0.32 C ATOM 1262 CG LYS A 82 14.017 -24.750 -10.281 1.00 0.25 C ATOM 1263 CD LYS A 82 13.333 -25.647 -11.298 1.00 32.42 C ATOM 1264 CE LYS A 82 11.819 -25.530 -11.215 1.00 75.14 C ATOM 1265 NZ LYS A 82 11.153 -26.071 -12.433 1.00 22.22 N ATOM 0 H LYS A 82 12.334 -24.404 -8.444 1.00 32.23 H new ATOM 0 HA LYS A 82 12.924 -27.052 -9.026 1.00 63.35 H new ATOM 0 HB2 LYS A 82 14.895 -24.841 -8.333 1.00 0.32 H new ATOM 0 HB3 LYS A 82 15.209 -26.249 -9.328 1.00 0.32 H new ATOM 0 HG2 LYS A 82 13.341 -23.946 -9.991 1.00 0.25 H new ATOM 0 HG3 LYS A 82 14.891 -24.283 -10.736 1.00 0.25 H new ATOM 0 HD2 LYS A 82 13.665 -25.381 -12.301 1.00 32.42 H new ATOM 0 HD3 LYS A 82 13.629 -26.682 -11.129 1.00 32.42 H new ATOM 0 HE2 LYS A 82 11.461 -26.067 -10.337 1.00 75.14 H new ATOM 0 HE3 LYS A 82 11.542 -24.484 -11.084 1.00 75.14 H new ATOM 0 HZ1 LYS A 82 10.388 -25.429 -12.725 1.00 22.22 H new ATOM 0 HZ2 LYS A 82 11.849 -26.153 -13.202 1.00 22.22 H new ATOM 0 HZ3 LYS A 82 10.756 -27.009 -12.224 1.00 22.22 H new ATOM 1279 N PHE A 83 13.589 -26.223 -5.957 1.00 34.43 N ATOM 1280 CA PHE A 83 14.013 -26.732 -4.658 1.00 30.33 C ATOM 1281 C PHE A 83 13.146 -27.911 -4.226 1.00 15.15 C ATOM 1282 O PHE A 83 13.627 -28.853 -3.595 1.00 64.13 O ATOM 1283 CB PHE A 83 13.947 -25.623 -3.606 1.00 24.34 C ATOM 1284 CG PHE A 83 14.601 -25.992 -2.304 1.00 72.14 C ATOM 1285 CD1 PHE A 83 13.883 -26.642 -1.313 1.00 52.41 C ATOM 1286 CD2 PHE A 83 15.933 -25.690 -2.073 1.00 11.03 C ATOM 1287 CE1 PHE A 83 14.481 -26.981 -0.115 1.00 25.33 C ATOM 1288 CE2 PHE A 83 16.537 -26.028 -0.876 1.00 42.43 C ATOM 1289 CZ PHE A 83 15.811 -26.675 0.104 1.00 75.14 C ATOM 0 H PHE A 83 13.142 -25.307 -5.925 1.00 34.43 H new ATOM 0 HA PHE A 83 15.043 -27.076 -4.749 1.00 30.33 H new ATOM 0 HB2 PHE A 83 14.426 -24.728 -4.003 1.00 24.34 H new ATOM 0 HB3 PHE A 83 12.903 -25.371 -3.420 1.00 24.34 H new ATOM 0 HD1 PHE A 83 12.844 -26.886 -1.479 1.00 52.41 H new ATOM 0 HD2 PHE A 83 16.506 -25.185 -2.836 1.00 11.03 H new ATOM 0 HE1 PHE A 83 13.910 -27.485 0.650 1.00 25.33 H new ATOM 0 HE2 PHE A 83 17.576 -25.786 -0.708 1.00 42.43 H new ATOM 0 HZ PHE A 83 16.281 -26.941 1.039 1.00 75.14 H new ATOM 1299 N LEU A 84 11.863 -27.851 -4.568 1.00 4.20 N ATOM 1300 CA LEU A 84 10.927 -28.912 -4.216 1.00 32.34 C ATOM 1301 C LEU A 84 11.123 -30.131 -5.112 1.00 14.12 C ATOM 1302 O LEU A 84 10.824 -31.258 -4.718 1.00 74.55 O ATOM 1303 CB LEU A 84 9.487 -28.408 -4.329 1.00 43.40 C ATOM 1304 CG LEU A 84 9.149 -27.155 -3.520 1.00 24.04 C ATOM 1305 CD1 LEU A 84 7.726 -26.702 -3.806 1.00 20.42 C ATOM 1306 CD2 LEU A 84 9.340 -27.414 -2.032 1.00 51.32 C ATOM 0 H LEU A 84 11.448 -27.078 -5.089 1.00 4.20 H new ATOM 0 HA LEU A 84 11.122 -29.207 -3.185 1.00 32.34 H new ATOM 0 HB2 LEU A 84 9.275 -28.206 -5.379 1.00 43.40 H new ATOM 0 HB3 LEU A 84 8.817 -29.209 -4.017 1.00 43.40 H new ATOM 0 HG LEU A 84 9.829 -26.358 -3.820 1.00 24.04 H new ATOM 0 HD11 LEU A 84 7.504 -25.809 -3.221 1.00 20.42 H new ATOM 0 HD12 LEU A 84 7.623 -26.476 -4.867 1.00 20.42 H new ATOM 0 HD13 LEU A 84 7.030 -27.496 -3.535 1.00 20.42 H new ATOM 0 HD21 LEU A 84 9.095 -26.512 -1.471 1.00 51.32 H new ATOM 0 HD22 LEU A 84 8.685 -28.226 -1.717 1.00 51.32 H new ATOM 0 HD23 LEU A 84 10.377 -27.690 -1.841 1.00 51.32 H new ATOM 1318 N VAL A 85 11.629 -29.897 -6.318 1.00 53.55 N ATOM 1319 CA VAL A 85 11.868 -30.975 -7.270 1.00 21.22 C ATOM 1320 C VAL A 85 12.697 -32.089 -6.641 1.00 22.15 C ATOM 1321 O VAL A 85 12.574 -33.255 -7.015 1.00 21.54 O ATOM 1322 CB VAL A 85 12.590 -30.462 -8.530 1.00 71.20 C ATOM 1323 CG1 VAL A 85 12.858 -31.607 -9.495 1.00 41.22 C ATOM 1324 CG2 VAL A 85 11.775 -29.367 -9.202 1.00 30.32 C ATOM 0 H VAL A 85 11.882 -28.970 -6.659 1.00 53.55 H new ATOM 0 HA VAL A 85 10.892 -31.368 -7.555 1.00 21.22 H new ATOM 0 HB VAL A 85 13.549 -30.038 -8.231 1.00 71.20 H new ATOM 0 HG11 VAL A 85 13.369 -31.226 -10.379 1.00 41.22 H new ATOM 0 HG12 VAL A 85 13.485 -32.354 -9.008 1.00 41.22 H new ATOM 0 HG13 VAL A 85 11.913 -32.063 -9.790 1.00 41.22 H new ATOM 0 HG21 VAL A 85 12.300 -29.016 -10.090 1.00 30.32 H new ATOM 0 HG22 VAL A 85 10.801 -29.763 -9.489 1.00 30.32 H new ATOM 0 HG23 VAL A 85 11.640 -28.537 -8.509 1.00 30.32 H new ATOM 1334 N ARG A 86 13.542 -31.722 -5.682 1.00 54.43 N ATOM 1335 CA ARG A 86 14.392 -32.690 -5.001 1.00 2.11 C ATOM 1336 C ARG A 86 13.570 -33.572 -4.066 1.00 24.32 C ATOM 1337 O ARG A 86 13.569 -34.797 -4.193 1.00 12.14 O ATOM 1338 CB ARG A 86 15.487 -31.971 -4.210 1.00 61.41 C ATOM 1339 CG ARG A 86 16.774 -31.772 -4.994 1.00 73.23 C ATOM 1340 CD ARG A 86 16.666 -30.596 -5.952 1.00 1.11 C ATOM 1341 NE ARG A 86 17.549 -30.746 -7.105 1.00 60.54 N ATOM 1342 CZ ARG A 86 17.252 -31.488 -8.166 1.00 71.55 C ATOM 1343 NH1 ARG A 86 16.100 -32.144 -8.220 1.00 4.50 N ATOM 1344 NH2 ARG A 86 18.107 -31.576 -9.177 1.00 43.21 N ATOM 0 H ARG A 86 13.655 -30.761 -5.360 1.00 54.43 H new ATOM 0 HA ARG A 86 14.856 -33.324 -5.757 1.00 2.11 H new ATOM 0 HB2 ARG A 86 15.113 -30.999 -3.889 1.00 61.41 H new ATOM 0 HB3 ARG A 86 15.706 -32.542 -3.308 1.00 61.41 H new ATOM 0 HG2 ARG A 86 17.600 -31.605 -4.303 1.00 73.23 H new ATOM 0 HG3 ARG A 86 17.004 -32.679 -5.553 1.00 73.23 H new ATOM 0 HD2 ARG A 86 15.636 -30.501 -6.295 1.00 1.11 H new ATOM 0 HD3 ARG A 86 16.913 -29.675 -5.424 1.00 1.11 H new ATOM 0 HE ARG A 86 18.443 -30.254 -7.095 1.00 60.54 H new ATOM 0 HH11 ARG A 86 15.440 -32.079 -7.445 1.00 4.50 H new ATOM 0 HH12 ARG A 86 15.875 -32.713 -9.036 1.00 4.50 H new ATOM 0 HH21 ARG A 86 18.994 -31.073 -9.140 1.00 43.21 H new ATOM 0 HH22 ARG A 86 17.877 -32.146 -9.991 1.00 43.21 H new ATOM 1358 N VAL A 87 12.873 -32.942 -3.126 1.00 51.32 N ATOM 1359 CA VAL A 87 12.047 -33.669 -2.170 1.00 54.20 C ATOM 1360 C VAL A 87 10.935 -34.437 -2.877 1.00 1.35 C ATOM 1361 O VAL A 87 10.447 -35.449 -2.372 1.00 44.23 O ATOM 1362 CB VAL A 87 11.420 -32.718 -1.133 1.00 33.00 C ATOM 1363 CG1 VAL A 87 12.494 -32.123 -0.236 1.00 2.03 C ATOM 1364 CG2 VAL A 87 10.626 -31.622 -1.827 1.00 51.33 C ATOM 0 H VAL A 87 12.864 -31.929 -3.006 1.00 51.32 H new ATOM 0 HA VAL A 87 12.702 -34.373 -1.657 1.00 54.20 H new ATOM 0 HB VAL A 87 10.735 -33.291 -0.508 1.00 33.00 H new ATOM 0 HG11 VAL A 87 12.032 -31.454 0.490 1.00 2.03 H new ATOM 0 HG12 VAL A 87 13.015 -32.924 0.289 1.00 2.03 H new ATOM 0 HG13 VAL A 87 13.206 -31.564 -0.843 1.00 2.03 H new ATOM 0 HG21 VAL A 87 10.190 -30.959 -1.079 1.00 51.33 H new ATOM 0 HG22 VAL A 87 11.287 -31.050 -2.477 1.00 51.33 H new ATOM 0 HG23 VAL A 87 9.831 -32.070 -2.422 1.00 51.33 H new ATOM 1374 N HIS A 88 10.539 -33.949 -4.048 1.00 35.11 N ATOM 1375 CA HIS A 88 9.484 -34.590 -4.826 1.00 23.55 C ATOM 1376 C HIS A 88 9.980 -35.896 -5.440 1.00 42.11 C ATOM 1377 O HIS A 88 9.188 -36.720 -5.895 1.00 52.20 O ATOM 1378 CB HIS A 88 8.989 -33.651 -5.926 1.00 4.15 C ATOM 1379 CG HIS A 88 8.081 -32.570 -5.426 1.00 73.21 C ATOM 1380 ND1 HIS A 88 7.802 -31.429 -6.147 1.00 53.54 N ATOM 1381 CD2 HIS A 88 7.385 -32.463 -4.270 1.00 53.42 C ATOM 1382 CE1 HIS A 88 6.975 -30.665 -5.456 1.00 11.41 C ATOM 1383 NE2 HIS A 88 6.706 -31.270 -4.313 1.00 50.40 N ATOM 0 H HIS A 88 10.932 -33.112 -4.479 1.00 35.11 H new ATOM 0 HA HIS A 88 8.657 -34.816 -4.153 1.00 23.55 H new ATOM 0 HB2 HIS A 88 9.849 -33.194 -6.417 1.00 4.15 H new ATOM 0 HB3 HIS A 88 8.464 -34.235 -6.682 1.00 4.15 H new ATOM 0 HD2 HIS A 88 7.367 -33.182 -3.464 1.00 53.42 H new ATOM 0 HE1 HIS A 88 6.585 -29.709 -5.772 1.00 11.41 H new ATOM 0 HE2 HIS A 88 6.094 -30.910 -3.581 1.00 50.40 H new ATOM 1391 N GLY A 89 11.297 -36.077 -5.451 1.00 4.14 N ATOM 1392 CA GLY A 89 11.876 -37.283 -6.013 1.00 30.45 C ATOM 1393 C GLY A 89 11.654 -37.391 -7.508 1.00 42.52 C ATOM 1394 O GLY A 89 11.751 -38.476 -8.081 1.00 52.34 O ATOM 0 H GLY A 89 11.974 -35.410 -5.081 1.00 4.14 H new ATOM 0 HA2 GLY A 89 12.946 -37.299 -5.806 1.00 30.45 H new ATOM 0 HA3 GLY A 89 11.443 -38.154 -5.521 1.00 30.45 H new ATOM 1398 N VAL A 90 11.354 -36.262 -8.143 1.00 1.32 N ATOM 1399 CA VAL A 90 11.117 -36.233 -9.581 1.00 61.01 C ATOM 1400 C VAL A 90 12.349 -35.740 -10.331 1.00 62.24 C ATOM 1401 O VAL A 90 12.970 -34.751 -9.943 1.00 33.11 O ATOM 1402 CB VAL A 90 9.919 -35.331 -9.935 1.00 24.43 C ATOM 1403 CG1 VAL A 90 8.632 -35.905 -9.363 1.00 72.24 C ATOM 1404 CG2 VAL A 90 10.152 -33.915 -9.430 1.00 31.30 C ATOM 0 H VAL A 90 11.269 -35.355 -7.684 1.00 1.32 H new ATOM 0 HA VAL A 90 10.895 -37.256 -9.886 1.00 61.01 H new ATOM 0 HB VAL A 90 9.821 -35.294 -11.020 1.00 24.43 H new ATOM 0 HG11 VAL A 90 7.797 -35.255 -9.623 1.00 72.24 H new ATOM 0 HG12 VAL A 90 8.461 -36.899 -9.777 1.00 72.24 H new ATOM 0 HG13 VAL A 90 8.715 -35.973 -8.278 1.00 72.24 H new ATOM 0 HG21 VAL A 90 9.296 -33.291 -9.688 1.00 31.30 H new ATOM 0 HG22 VAL A 90 10.276 -33.931 -8.347 1.00 31.30 H new ATOM 0 HG23 VAL A 90 11.051 -33.507 -9.892 1.00 31.30 H new ATOM 1414 N GLU A 91 12.697 -36.437 -11.409 1.00 4.22 N ATOM 1415 CA GLU A 91 13.856 -36.069 -12.214 1.00 25.34 C ATOM 1416 C GLU A 91 13.800 -34.596 -12.607 1.00 64.04 C ATOM 1417 O GLU A 91 12.737 -33.977 -12.642 1.00 51.24 O ATOM 1418 CB GLU A 91 13.931 -36.941 -13.469 1.00 20.43 C ATOM 1419 CG GLU A 91 12.593 -37.118 -14.167 1.00 64.23 C ATOM 1420 CD GLU A 91 12.743 -37.563 -15.609 1.00 74.32 C ATOM 1421 OE1 GLU A 91 12.852 -36.686 -16.492 1.00 21.32 O ATOM 1422 OE2 GLU A 91 12.750 -38.787 -15.855 1.00 73.43 O ATOM 0 H GLU A 91 12.194 -37.258 -11.744 1.00 4.22 H new ATOM 0 HA GLU A 91 14.750 -36.233 -11.613 1.00 25.34 H new ATOM 0 HB2 GLU A 91 14.640 -36.497 -14.168 1.00 20.43 H new ATOM 0 HB3 GLU A 91 14.322 -37.921 -13.197 1.00 20.43 H new ATOM 0 HG2 GLU A 91 11.998 -37.852 -13.624 1.00 64.23 H new ATOM 0 HG3 GLU A 91 12.044 -36.177 -14.136 1.00 64.23 H new ATOM 1429 N PRO A 92 14.973 -34.020 -12.911 1.00 22.15 N ATOM 1430 CA PRO A 92 15.085 -32.613 -13.307 1.00 62.31 C ATOM 1431 C PRO A 92 14.488 -32.350 -14.685 1.00 61.23 C ATOM 1432 O PRO A 92 14.205 -33.283 -15.438 1.00 10.41 O ATOM 1433 CB PRO A 92 16.596 -32.368 -13.323 1.00 61.53 C ATOM 1434 CG PRO A 92 17.195 -33.712 -13.562 1.00 11.51 C ATOM 1435 CD PRO A 92 16.280 -34.698 -12.890 1.00 63.01 C ATOM 0 HA PRO A 92 14.540 -31.954 -12.631 1.00 62.31 H new ATOM 0 HB2 PRO A 92 16.875 -31.665 -14.108 1.00 61.53 H new ATOM 0 HB3 PRO A 92 16.938 -31.944 -12.379 1.00 61.53 H new ATOM 0 HG2 PRO A 92 17.276 -33.919 -14.629 1.00 11.51 H new ATOM 0 HG3 PRO A 92 18.202 -33.770 -13.149 1.00 11.51 H new ATOM 0 HD2 PRO A 92 16.249 -35.647 -13.425 1.00 63.01 H new ATOM 0 HD3 PRO A 92 16.603 -34.917 -11.872 1.00 63.01 H new ATOM 1443 N ASP A 93 14.300 -31.076 -15.010 1.00 13.12 N ATOM 1444 CA ASP A 93 13.737 -30.690 -16.299 1.00 24.21 C ATOM 1445 C ASP A 93 13.877 -29.188 -16.525 1.00 61.11 C ATOM 1446 O ASP A 93 13.690 -28.392 -15.605 1.00 53.32 O ATOM 1447 CB ASP A 93 12.265 -31.096 -16.379 1.00 51.10 C ATOM 1448 CG ASP A 93 11.799 -31.304 -17.806 1.00 55.15 C ATOM 1449 OD1 ASP A 93 11.807 -30.325 -18.581 1.00 55.14 O ATOM 1450 OD2 ASP A 93 11.425 -32.446 -18.148 1.00 53.45 O ATOM 0 H ASP A 93 14.529 -30.292 -14.399 1.00 13.12 H new ATOM 0 HA ASP A 93 14.292 -31.210 -17.080 1.00 24.21 H new ATOM 0 HB2 ASP A 93 12.113 -32.015 -15.813 1.00 51.10 H new ATOM 0 HB3 ASP A 93 11.653 -30.327 -15.908 1.00 51.10 H new ATOM 1455 N ASP A 94 14.208 -28.809 -17.754 1.00 43.53 N ATOM 1456 CA ASP A 94 14.373 -27.402 -18.102 1.00 4.22 C ATOM 1457 C ASP A 94 13.206 -26.912 -18.953 1.00 10.33 C ATOM 1458 O ASP A 94 12.886 -25.724 -18.959 1.00 52.12 O ATOM 1459 CB ASP A 94 15.690 -27.191 -18.850 1.00 43.53 C ATOM 1460 CG ASP A 94 16.817 -28.037 -18.291 1.00 34.22 C ATOM 1461 OD1 ASP A 94 17.172 -27.846 -17.109 1.00 20.43 O ATOM 1462 OD2 ASP A 94 17.342 -28.891 -19.035 1.00 20.43 O ATOM 0 H ASP A 94 14.367 -29.456 -18.526 1.00 43.53 H new ATOM 0 HA ASP A 94 14.392 -26.824 -17.178 1.00 4.22 H new ATOM 0 HB2 ASP A 94 15.548 -27.431 -19.904 1.00 43.53 H new ATOM 0 HB3 ASP A 94 15.969 -26.139 -18.798 1.00 43.53 H new ATOM 1467 N ASN A 95 12.575 -27.835 -19.670 1.00 74.23 N ATOM 1468 CA ASN A 95 11.444 -27.497 -20.527 1.00 14.45 C ATOM 1469 C ASN A 95 10.176 -27.299 -19.701 1.00 20.53 C ATOM 1470 O ASN A 95 9.272 -26.562 -20.096 1.00 31.43 O ATOM 1471 CB ASN A 95 11.221 -28.593 -21.570 1.00 34.43 C ATOM 1472 CG ASN A 95 10.221 -28.184 -22.634 1.00 33.40 C ATOM 1473 OD1 ASN A 95 9.011 -28.323 -22.451 1.00 62.43 O ATOM 1474 ND2 ASN A 95 10.723 -27.677 -23.754 1.00 11.03 N ATOM 0 H ASN A 95 12.827 -28.823 -19.675 1.00 74.23 H new ATOM 0 HA ASN A 95 11.674 -26.562 -21.037 1.00 14.45 H new ATOM 0 HB2 ASN A 95 12.171 -28.839 -22.044 1.00 34.43 H new ATOM 0 HB3 ASN A 95 10.869 -29.497 -21.073 1.00 34.43 H new ATOM 0 HD21 ASN A 95 10.099 -27.384 -24.506 1.00 11.03 H new ATOM 0 HD22 ASN A 95 11.733 -27.580 -23.862 1.00 11.03 H new ATOM 1481 N THR A 96 10.116 -27.963 -18.550 1.00 64.23 N ATOM 1482 CA THR A 96 8.961 -27.862 -17.668 1.00 75.05 C ATOM 1483 C THR A 96 8.708 -26.416 -17.257 1.00 21.25 C ATOM 1484 O THR A 96 7.667 -25.843 -17.575 1.00 20.25 O ATOM 1485 CB THR A 96 9.143 -28.720 -16.402 1.00 71.24 C ATOM 1486 OG1 THR A 96 10.391 -28.407 -15.774 1.00 13.23 O ATOM 1487 CG2 THR A 96 9.099 -30.202 -16.742 1.00 74.33 C ATOM 0 H THR A 96 10.855 -28.577 -18.208 1.00 64.23 H new ATOM 0 HA THR A 96 8.103 -28.233 -18.228 1.00 75.05 H new ATOM 0 HB THR A 96 8.325 -28.496 -15.717 1.00 71.24 H new ATOM 0 HG1 THR A 96 10.429 -28.832 -14.892 1.00 13.23 H new ATOM 0 HG21 THR A 96 9.230 -30.788 -15.832 1.00 74.33 H new ATOM 0 HG22 THR A 96 8.137 -30.443 -17.194 1.00 74.33 H new ATOM 0 HG23 THR A 96 9.899 -30.438 -17.444 1.00 74.33 H new ATOM 1495 N ASN A 97 9.668 -25.832 -16.548 1.00 3.55 N ATOM 1496 CA ASN A 97 9.549 -24.451 -16.092 1.00 64.21 C ATOM 1497 C ASN A 97 9.289 -23.512 -17.266 1.00 4.43 C ATOM 1498 O ASN A 97 8.705 -22.442 -17.100 1.00 50.23 O ATOM 1499 CB ASN A 97 10.820 -24.024 -15.354 1.00 61.44 C ATOM 1500 CG ASN A 97 12.076 -24.308 -16.155 1.00 44.33 C ATOM 1501 OD1 ASN A 97 12.222 -23.845 -17.287 1.00 20.22 O ATOM 1502 ND2 ASN A 97 12.991 -25.072 -15.570 1.00 2.21 N ATOM 0 H ASN A 97 10.537 -26.293 -16.277 1.00 3.55 H new ATOM 0 HA ASN A 97 8.703 -24.392 -15.408 1.00 64.21 H new ATOM 0 HB2 ASN A 97 10.767 -22.958 -15.132 1.00 61.44 H new ATOM 0 HB3 ASN A 97 10.875 -24.546 -14.399 1.00 61.44 H new ATOM 0 HD21 ASN A 97 13.857 -25.297 -16.060 1.00 2.21 H new ATOM 0 HD22 ASN A 97 12.828 -25.434 -14.630 1.00 2.21 H new ATOM 1509 N GLY A 98 9.728 -23.920 -18.453 1.00 31.44 N ATOM 1510 CA GLY A 98 9.533 -23.104 -19.637 1.00 21.33 C ATOM 1511 C GLY A 98 10.276 -21.785 -19.560 1.00 71.23 C ATOM 1512 O GLY A 98 9.745 -20.742 -19.943 1.00 31.33 O ATOM 0 H GLY A 98 10.215 -24.801 -18.616 1.00 31.44 H new ATOM 0 HA2 GLY A 98 9.869 -23.656 -20.515 1.00 21.33 H new ATOM 0 HA3 GLY A 98 8.469 -22.911 -19.770 1.00 21.33 H new ATOM 1516 N PHE A 99 11.508 -21.829 -19.063 1.00 74.45 N ATOM 1517 CA PHE A 99 12.324 -20.628 -18.935 1.00 50.24 C ATOM 1518 C PHE A 99 12.432 -19.898 -20.271 1.00 74.54 C ATOM 1519 O PHE A 99 12.528 -18.672 -20.317 1.00 2.14 O ATOM 1520 CB PHE A 99 13.721 -20.987 -18.423 1.00 55.44 C ATOM 1521 CG PHE A 99 14.685 -19.835 -18.456 1.00 32.52 C ATOM 1522 CD1 PHE A 99 14.302 -18.581 -18.008 1.00 23.44 C ATOM 1523 CD2 PHE A 99 15.974 -20.008 -18.934 1.00 12.42 C ATOM 1524 CE1 PHE A 99 15.188 -17.520 -18.037 1.00 75.41 C ATOM 1525 CE2 PHE A 99 16.864 -18.950 -18.965 1.00 74.33 C ATOM 1526 CZ PHE A 99 16.470 -17.705 -18.515 1.00 61.33 C ATOM 0 H PHE A 99 11.963 -22.684 -18.742 1.00 74.45 H new ATOM 0 HA PHE A 99 11.840 -19.966 -18.217 1.00 50.24 H new ATOM 0 HB2 PHE A 99 13.641 -21.355 -17.400 1.00 55.44 H new ATOM 0 HB3 PHE A 99 14.121 -21.803 -19.025 1.00 55.44 H new ATOM 0 HD1 PHE A 99 13.301 -18.431 -17.632 1.00 23.44 H new ATOM 0 HD2 PHE A 99 16.287 -20.980 -19.286 1.00 12.42 H new ATOM 0 HE1 PHE A 99 14.877 -16.547 -17.686 1.00 75.41 H new ATOM 0 HE2 PHE A 99 17.866 -19.097 -19.341 1.00 74.33 H new ATOM 0 HZ PHE A 99 17.164 -16.878 -18.537 1.00 61.33 H new ATOM 1536 N LYS A 100 12.415 -20.662 -21.359 1.00 33.25 N ATOM 1537 CA LYS A 100 12.509 -20.091 -22.697 1.00 25.32 C ATOM 1538 C LYS A 100 11.355 -19.130 -22.961 1.00 42.22 C ATOM 1539 O LYS A 100 11.493 -18.174 -23.723 1.00 41.21 O ATOM 1540 CB LYS A 100 12.513 -21.203 -23.749 1.00 15.22 C ATOM 1541 CG LYS A 100 13.220 -20.819 -25.037 1.00 22.22 C ATOM 1542 CD LYS A 100 12.819 -21.729 -26.186 1.00 13.12 C ATOM 1543 CE LYS A 100 11.566 -21.223 -26.886 1.00 24.35 C ATOM 1544 NZ LYS A 100 10.325 -21.692 -26.209 1.00 4.55 N ATOM 0 H LYS A 100 12.337 -21.679 -21.339 1.00 33.25 H new ATOM 0 HA LYS A 100 13.444 -19.534 -22.763 1.00 25.32 H new ATOM 0 HB2 LYS A 100 12.994 -22.087 -23.330 1.00 15.22 H new ATOM 0 HB3 LYS A 100 11.484 -21.479 -23.978 1.00 15.22 H new ATOM 0 HG2 LYS A 100 12.982 -19.786 -25.290 1.00 22.22 H new ATOM 0 HG3 LYS A 100 14.299 -20.871 -24.890 1.00 22.22 H new ATOM 0 HD2 LYS A 100 13.637 -21.793 -26.903 1.00 13.12 H new ATOM 0 HD3 LYS A 100 12.645 -22.737 -25.810 1.00 13.12 H new ATOM 0 HE2 LYS A 100 11.578 -20.133 -26.909 1.00 24.35 H new ATOM 0 HE3 LYS A 100 11.566 -21.564 -27.921 1.00 24.35 H new ATOM 0 HZ1 LYS A 100 9.563 -21.790 -26.910 1.00 4.55 H new ATOM 0 HZ2 LYS A 100 10.502 -22.613 -25.759 1.00 4.55 H new ATOM 0 HZ3 LYS A 100 10.042 -21.001 -25.485 1.00 4.55 H new ATOM 1558 N GLY A 101 10.217 -19.389 -22.325 1.00 32.40 N ATOM 1559 CA GLY A 101 9.056 -18.537 -22.504 1.00 30.11 C ATOM 1560 C GLY A 101 9.108 -17.296 -21.635 1.00 24.21 C ATOM 1561 O GLY A 101 8.968 -16.177 -22.129 1.00 45.42 O ATOM 0 H GLY A 101 10.078 -20.174 -21.689 1.00 32.40 H new ATOM 0 HA2 GLY A 101 8.984 -18.241 -23.551 1.00 30.11 H new ATOM 0 HA3 GLY A 101 8.154 -19.103 -22.270 1.00 30.11 H new ATOM 1565 N LEU A 102 9.309 -17.493 -20.337 1.00 34.34 N ATOM 1566 CA LEU A 102 9.377 -16.381 -19.396 1.00 4.35 C ATOM 1567 C LEU A 102 10.594 -15.504 -19.676 1.00 71.44 C ATOM 1568 O LEU A 102 10.620 -14.328 -19.317 1.00 13.31 O ATOM 1569 CB LEU A 102 9.433 -16.904 -17.959 1.00 75.44 C ATOM 1570 CG LEU A 102 10.828 -17.176 -17.397 1.00 63.01 C ATOM 1571 CD1 LEU A 102 11.378 -15.935 -16.711 1.00 63.13 C ATOM 1572 CD2 LEU A 102 10.795 -18.351 -16.431 1.00 34.04 C ATOM 0 H LEU A 102 9.428 -18.413 -19.912 1.00 34.34 H new ATOM 0 HA LEU A 102 8.479 -15.777 -19.522 1.00 4.35 H new ATOM 0 HB2 LEU A 102 8.937 -16.181 -17.311 1.00 75.44 H new ATOM 0 HB3 LEU A 102 8.856 -17.827 -17.907 1.00 75.44 H new ATOM 0 HG LEU A 102 11.489 -17.432 -18.225 1.00 63.01 H new ATOM 0 HD11 LEU A 102 12.372 -16.147 -16.317 1.00 63.13 H new ATOM 0 HD12 LEU A 102 11.440 -15.119 -17.431 1.00 63.13 H new ATOM 0 HD13 LEU A 102 10.717 -15.648 -15.893 1.00 63.13 H new ATOM 0 HD21 LEU A 102 11.797 -18.530 -16.041 1.00 34.04 H new ATOM 0 HD22 LEU A 102 10.120 -18.125 -15.606 1.00 34.04 H new ATOM 0 HD23 LEU A 102 10.445 -19.241 -16.953 1.00 34.04 H new ATOM 1584 N MET A 103 11.599 -16.086 -20.323 1.00 1.22 N ATOM 1585 CA MET A 103 12.817 -15.356 -20.655 1.00 63.30 C ATOM 1586 C MET A 103 12.494 -14.079 -21.424 1.00 34.23 C ATOM 1587 O MET A 103 13.078 -13.025 -21.171 1.00 35.11 O ATOM 1588 CB MET A 103 13.756 -16.238 -21.480 1.00 62.25 C ATOM 1589 CG MET A 103 14.990 -15.507 -21.984 1.00 23.31 C ATOM 1590 SD MET A 103 16.101 -15.018 -20.650 1.00 35.40 S ATOM 1591 CE MET A 103 15.932 -13.236 -20.705 1.00 71.13 C ATOM 0 H MET A 103 11.594 -17.060 -20.627 1.00 1.22 H new ATOM 0 HA MET A 103 13.312 -15.082 -19.723 1.00 63.30 H new ATOM 0 HB2 MET A 103 14.070 -17.088 -20.873 1.00 62.25 H new ATOM 0 HB3 MET A 103 13.208 -16.640 -22.332 1.00 62.25 H new ATOM 0 HG2 MET A 103 15.527 -16.148 -22.683 1.00 23.31 H new ATOM 0 HG3 MET A 103 14.681 -14.620 -22.538 1.00 23.31 H new ATOM 0 HE1 MET A 103 16.896 -12.772 -20.495 1.00 71.13 H new ATOM 0 HE2 MET A 103 15.591 -12.933 -21.695 1.00 71.13 H new ATOM 0 HE3 MET A 103 15.206 -12.916 -19.958 1.00 71.13 H new ATOM 1601 N LYS A 104 11.560 -14.180 -22.364 1.00 31.24 N ATOM 1602 CA LYS A 104 11.157 -13.033 -23.169 1.00 63.52 C ATOM 1603 C LYS A 104 10.190 -12.141 -22.399 1.00 54.52 C ATOM 1604 O LYS A 104 10.119 -10.935 -22.638 1.00 3.22 O ATOM 1605 CB LYS A 104 10.507 -13.503 -24.473 1.00 5.12 C ATOM 1606 CG LYS A 104 11.496 -14.080 -25.471 1.00 74.25 C ATOM 1607 CD LYS A 104 12.432 -13.012 -26.010 1.00 43.03 C ATOM 1608 CE LYS A 104 13.002 -13.402 -27.366 1.00 35.12 C ATOM 1609 NZ LYS A 104 12.018 -13.187 -28.463 1.00 41.01 N ATOM 0 H LYS A 104 11.068 -15.045 -22.587 1.00 31.24 H new ATOM 0 HA LYS A 104 12.050 -12.453 -23.403 1.00 63.52 H new ATOM 0 HB2 LYS A 104 9.754 -14.257 -24.243 1.00 5.12 H new ATOM 0 HB3 LYS A 104 9.987 -12.663 -24.933 1.00 5.12 H new ATOM 0 HG2 LYS A 104 12.078 -14.868 -24.993 1.00 74.25 H new ATOM 0 HG3 LYS A 104 10.954 -14.540 -26.297 1.00 74.25 H new ATOM 0 HD2 LYS A 104 11.895 -12.067 -26.098 1.00 43.03 H new ATOM 0 HD3 LYS A 104 13.247 -12.851 -25.304 1.00 43.03 H new ATOM 0 HE2 LYS A 104 13.900 -12.818 -27.564 1.00 35.12 H new ATOM 0 HE3 LYS A 104 13.301 -14.450 -27.347 1.00 35.12 H new ATOM 0 HZ1 LYS A 104 12.210 -13.855 -29.237 1.00 41.01 H new ATOM 0 HZ2 LYS A 104 11.055 -13.343 -28.101 1.00 41.01 H new ATOM 0 HZ3 LYS A 104 12.101 -12.213 -28.818 1.00 41.01 H new ATOM 1623 N ARG A 105 9.447 -12.740 -21.474 1.00 53.15 N ATOM 1624 CA ARG A 105 8.484 -11.998 -20.670 1.00 34.35 C ATOM 1625 C ARG A 105 9.165 -10.855 -19.923 1.00 31.55 C ATOM 1626 O ARG A 105 8.531 -9.855 -19.584 1.00 25.12 O ATOM 1627 CB ARG A 105 7.792 -12.932 -19.674 1.00 64.02 C ATOM 1628 CG ARG A 105 6.439 -13.435 -20.150 1.00 23.23 C ATOM 1629 CD ARG A 105 6.092 -14.776 -19.522 1.00 73.14 C ATOM 1630 NE ARG A 105 4.757 -14.774 -18.931 1.00 15.14 N ATOM 1631 CZ ARG A 105 4.171 -15.858 -18.434 1.00 1.23 C ATOM 1632 NH1 ARG A 105 4.800 -17.025 -18.457 1.00 2.32 N ATOM 1633 NH2 ARG A 105 2.954 -15.776 -17.912 1.00 10.34 N ATOM 0 H ARG A 105 9.494 -13.737 -21.263 1.00 53.15 H new ATOM 0 HA ARG A 105 7.737 -11.576 -21.342 1.00 34.35 H new ATOM 0 HB2 ARG A 105 8.440 -13.787 -19.480 1.00 64.02 H new ATOM 0 HB3 ARG A 105 7.663 -12.408 -18.727 1.00 64.02 H new ATOM 0 HG2 ARG A 105 5.669 -12.705 -19.900 1.00 23.23 H new ATOM 0 HG3 ARG A 105 6.447 -13.531 -21.236 1.00 23.23 H new ATOM 0 HD2 ARG A 105 6.152 -15.557 -20.280 1.00 73.14 H new ATOM 0 HD3 ARG A 105 6.828 -15.018 -18.755 1.00 73.14 H new ATOM 0 HE ARG A 105 4.246 -13.892 -18.898 1.00 15.14 H new ATOM 0 HH11 ARG A 105 5.736 -17.092 -18.857 1.00 2.32 H new ATOM 0 HH12 ARG A 105 4.348 -17.856 -18.075 1.00 2.32 H new ATOM 0 HH21 ARG A 105 2.467 -14.880 -17.892 1.00 10.34 H new ATOM 0 HH22 ARG A 105 2.505 -16.609 -17.531 1.00 10.34 H new ATOM 1647 N THR A 106 10.460 -11.011 -19.668 1.00 4.13 N ATOM 1648 CA THR A 106 11.228 -9.994 -18.960 1.00 15.03 C ATOM 1649 C THR A 106 11.519 -8.799 -19.860 1.00 51.11 C ATOM 1650 O THR A 106 11.226 -7.656 -19.507 1.00 44.22 O ATOM 1651 CB THR A 106 12.559 -10.561 -18.431 1.00 52.13 C ATOM 1652 OG1 THR A 106 13.354 -11.039 -19.521 1.00 65.44 O ATOM 1653 CG2 THR A 106 12.312 -11.691 -17.443 1.00 54.41 C ATOM 0 H THR A 106 10.999 -11.832 -19.941 1.00 4.13 H new ATOM 0 HA THR A 106 10.620 -9.670 -18.116 1.00 15.03 H new ATOM 0 HB THR A 106 13.091 -9.761 -17.917 1.00 52.13 H new ATOM 0 HG1 THR A 106 12.969 -11.872 -19.866 1.00 65.44 H new ATOM 0 HG21 THR A 106 13.267 -12.075 -17.083 1.00 54.41 H new ATOM 0 HG22 THR A 106 11.731 -11.317 -16.600 1.00 54.41 H new ATOM 0 HG23 THR A 106 11.761 -12.492 -17.936 1.00 54.41 H new ATOM 1661 N THR A 107 12.097 -9.069 -21.026 1.00 71.54 N ATOM 1662 CA THR A 107 12.428 -8.016 -21.978 1.00 23.33 C ATOM 1663 C THR A 107 11.171 -7.321 -22.488 1.00 64.35 C ATOM 1664 O THR A 107 11.175 -6.116 -22.741 1.00 74.32 O ATOM 1665 CB THR A 107 13.218 -8.572 -23.178 1.00 50.50 C ATOM 1666 OG1 THR A 107 13.454 -7.531 -24.133 1.00 13.10 O ATOM 1667 CG2 THR A 107 12.463 -9.714 -23.841 1.00 12.41 C ATOM 0 H THR A 107 12.346 -10.009 -21.334 1.00 71.54 H new ATOM 0 HA THR A 107 13.049 -7.294 -21.448 1.00 23.33 H new ATOM 0 HB THR A 107 14.172 -8.953 -22.812 1.00 50.50 H new ATOM 0 HG1 THR A 107 13.958 -7.892 -24.892 1.00 13.10 H new ATOM 0 HG21 THR A 107 13.040 -10.090 -24.685 1.00 12.41 H new ATOM 0 HG22 THR A 107 12.310 -10.517 -23.119 1.00 12.41 H new ATOM 0 HG23 THR A 107 11.496 -9.355 -24.194 1.00 12.41 H new ATOM 1675 N LYS A 108 10.097 -8.088 -22.638 1.00 55.21 N ATOM 1676 CA LYS A 108 8.830 -7.546 -23.117 1.00 44.11 C ATOM 1677 C LYS A 108 8.326 -6.444 -22.192 1.00 15.44 C ATOM 1678 O LYS A 108 7.723 -5.468 -22.642 1.00 45.11 O ATOM 1679 CB LYS A 108 7.784 -8.657 -23.222 1.00 74.33 C ATOM 1680 CG LYS A 108 6.448 -8.185 -23.770 1.00 11.12 C ATOM 1681 CD LYS A 108 6.563 -7.747 -25.220 1.00 42.22 C ATOM 1682 CE LYS A 108 5.246 -7.195 -25.742 1.00 54.40 C ATOM 1683 NZ LYS A 108 4.398 -8.260 -26.345 1.00 51.14 N ATOM 0 H LYS A 108 10.078 -9.087 -22.435 1.00 55.21 H new ATOM 0 HA LYS A 108 8.997 -7.118 -24.106 1.00 44.11 H new ATOM 0 HB2 LYS A 108 8.171 -9.449 -23.863 1.00 74.33 H new ATOM 0 HB3 LYS A 108 7.629 -9.093 -22.235 1.00 74.33 H new ATOM 0 HG2 LYS A 108 5.716 -8.989 -23.689 1.00 11.12 H new ATOM 0 HG3 LYS A 108 6.079 -7.356 -23.167 1.00 11.12 H new ATOM 0 HD2 LYS A 108 7.339 -6.987 -25.311 1.00 42.22 H new ATOM 0 HD3 LYS A 108 6.873 -8.593 -25.833 1.00 42.22 H new ATOM 0 HE2 LYS A 108 4.704 -6.717 -24.926 1.00 54.40 H new ATOM 0 HE3 LYS A 108 5.445 -6.424 -26.487 1.00 54.40 H new ATOM 0 HZ1 LYS A 108 3.509 -7.843 -26.689 1.00 51.14 H new ATOM 0 HZ2 LYS A 108 4.905 -8.699 -27.140 1.00 51.14 H new ATOM 0 HZ3 LYS A 108 4.186 -8.983 -25.628 1.00 51.14 H new ATOM 1697 N LEU A 109 8.575 -6.604 -20.897 1.00 4.02 N ATOM 1698 CA LEU A 109 8.147 -5.621 -19.907 1.00 64.14 C ATOM 1699 C LEU A 109 9.066 -4.403 -19.917 1.00 74.13 C ATOM 1700 O LEU A 109 8.613 -3.270 -19.752 1.00 10.53 O ATOM 1701 CB LEU A 109 8.128 -6.248 -18.512 1.00 53.12 C ATOM 1702 CG LEU A 109 6.764 -6.720 -18.008 1.00 33.23 C ATOM 1703 CD1 LEU A 109 6.109 -7.643 -19.024 1.00 53.51 C ATOM 1704 CD2 LEU A 109 6.905 -7.419 -16.664 1.00 21.34 C ATOM 0 H LEU A 109 9.071 -7.405 -20.507 1.00 4.02 H new ATOM 0 HA LEU A 109 7.139 -5.296 -20.166 1.00 64.14 H new ATOM 0 HB2 LEU A 109 8.809 -7.099 -18.509 1.00 53.12 H new ATOM 0 HB3 LEU A 109 8.523 -5.521 -17.803 1.00 53.12 H new ATOM 0 HG LEU A 109 6.125 -5.847 -17.876 1.00 33.23 H new ATOM 0 HD11 LEU A 109 5.139 -7.969 -18.648 1.00 53.51 H new ATOM 0 HD12 LEU A 109 5.973 -7.110 -19.965 1.00 53.51 H new ATOM 0 HD13 LEU A 109 6.745 -8.513 -19.189 1.00 53.51 H new ATOM 0 HD21 LEU A 109 5.924 -7.748 -16.320 1.00 21.34 H new ATOM 0 HD22 LEU A 109 7.561 -8.283 -16.770 1.00 21.34 H new ATOM 0 HD23 LEU A 109 7.331 -6.727 -15.937 1.00 21.34 H new ATOM 1716 N LEU A 110 10.357 -4.644 -20.114 1.00 60.14 N ATOM 1717 CA LEU A 110 11.340 -3.567 -20.149 1.00 12.54 C ATOM 1718 C LEU A 110 11.233 -2.773 -21.447 1.00 20.11 C ATOM 1719 O LEU A 110 11.610 -1.602 -21.505 1.00 33.33 O ATOM 1720 CB LEU A 110 12.753 -4.133 -19.999 1.00 33.43 C ATOM 1721 CG LEU A 110 12.968 -5.101 -18.835 1.00 35.43 C ATOM 1722 CD1 LEU A 110 13.941 -6.202 -19.228 1.00 52.22 C ATOM 1723 CD2 LEU A 110 13.470 -4.356 -17.607 1.00 44.00 C ATOM 0 H LEU A 110 10.748 -5.576 -20.252 1.00 60.14 H new ATOM 0 HA LEU A 110 11.135 -2.895 -19.316 1.00 12.54 H new ATOM 0 HB2 LEU A 110 13.018 -4.644 -20.924 1.00 33.43 H new ATOM 0 HB3 LEU A 110 13.446 -3.300 -19.885 1.00 33.43 H new ATOM 0 HG LEU A 110 12.011 -5.561 -18.590 1.00 35.43 H new ATOM 0 HD11 LEU A 110 14.081 -6.881 -18.387 1.00 52.22 H new ATOM 0 HD12 LEU A 110 13.541 -6.755 -20.078 1.00 52.22 H new ATOM 0 HD13 LEU A 110 14.899 -5.760 -19.501 1.00 52.22 H new ATOM 0 HD21 LEU A 110 13.617 -5.061 -16.789 1.00 44.00 H new ATOM 0 HD22 LEU A 110 14.416 -3.867 -17.840 1.00 44.00 H new ATOM 0 HD23 LEU A 110 12.737 -3.606 -17.312 1.00 44.00 H new ATOM 1735 N LYS A 111 10.715 -3.417 -22.487 1.00 62.51 N ATOM 1736 CA LYS A 111 10.555 -2.772 -23.785 1.00 34.32 C ATOM 1737 C LYS A 111 9.340 -1.849 -23.787 1.00 22.31 C ATOM 1738 O LYS A 111 9.246 -0.931 -24.602 1.00 63.41 O ATOM 1739 CB LYS A 111 10.410 -3.825 -24.886 1.00 44.23 C ATOM 1740 CG LYS A 111 11.714 -4.522 -25.236 1.00 50.52 C ATOM 1741 CD LYS A 111 12.631 -3.617 -26.042 1.00 2.45 C ATOM 1742 CE LYS A 111 13.765 -4.401 -26.684 1.00 30.34 C ATOM 1743 NZ LYS A 111 14.448 -3.617 -27.749 1.00 64.12 N ATOM 0 H LYS A 111 10.398 -4.386 -22.456 1.00 62.51 H new ATOM 0 HA LYS A 111 11.445 -2.173 -23.978 1.00 34.32 H new ATOM 0 HB2 LYS A 111 9.682 -4.572 -24.569 1.00 44.23 H new ATOM 0 HB3 LYS A 111 10.010 -3.350 -25.782 1.00 44.23 H new ATOM 0 HG2 LYS A 111 12.219 -4.832 -24.321 1.00 50.52 H new ATOM 0 HG3 LYS A 111 11.502 -5.427 -25.805 1.00 50.52 H new ATOM 0 HD2 LYS A 111 12.055 -3.110 -26.816 1.00 2.45 H new ATOM 0 HD3 LYS A 111 13.043 -2.844 -25.393 1.00 2.45 H new ATOM 0 HE2 LYS A 111 14.489 -4.683 -25.920 1.00 30.34 H new ATOM 0 HE3 LYS A 111 13.373 -5.325 -27.108 1.00 30.34 H new ATOM 0 HZ1 LYS A 111 15.214 -4.186 -28.162 1.00 64.12 H new ATOM 0 HZ2 LYS A 111 13.763 -3.369 -28.491 1.00 64.12 H new ATOM 0 HZ3 LYS A 111 14.845 -2.747 -27.339 1.00 64.12 H new ATOM 1757 N LYS A 112 8.413 -2.097 -22.869 1.00 35.54 N ATOM 1758 CA LYS A 112 7.205 -1.288 -22.762 1.00 12.50 C ATOM 1759 C LYS A 112 7.530 0.109 -22.241 1.00 63.24 C ATOM 1760 O LYS A 112 6.857 1.082 -22.582 1.00 20.33 O ATOM 1761 CB LYS A 112 6.192 -1.965 -21.837 1.00 33.15 C ATOM 1762 CG LYS A 112 4.796 -2.061 -22.428 1.00 41.35 C ATOM 1763 CD LYS A 112 4.724 -3.116 -23.519 1.00 61.30 C ATOM 1764 CE LYS A 112 3.470 -2.959 -24.365 1.00 31.00 C ATOM 1765 NZ LYS A 112 2.323 -3.727 -23.805 1.00 3.41 N ATOM 0 H LYS A 112 8.475 -2.853 -22.187 1.00 35.54 H new ATOM 0 HA LYS A 112 6.772 -1.194 -23.758 1.00 12.50 H new ATOM 0 HB2 LYS A 112 6.545 -2.968 -21.597 1.00 33.15 H new ATOM 0 HB3 LYS A 112 6.143 -1.412 -20.899 1.00 33.15 H new ATOM 0 HG2 LYS A 112 4.082 -2.302 -21.640 1.00 41.35 H new ATOM 0 HG3 LYS A 112 4.506 -1.093 -22.837 1.00 41.35 H new ATOM 0 HD2 LYS A 112 5.605 -3.043 -24.156 1.00 61.30 H new ATOM 0 HD3 LYS A 112 4.738 -4.108 -23.068 1.00 61.30 H new ATOM 0 HE2 LYS A 112 3.204 -1.904 -24.428 1.00 31.00 H new ATOM 0 HE3 LYS A 112 3.673 -3.298 -25.381 1.00 31.00 H new ATOM 0 HZ1 LYS A 112 1.488 -3.594 -24.410 1.00 3.41 H new ATOM 0 HZ2 LYS A 112 2.567 -4.737 -23.768 1.00 3.41 H new ATOM 0 HZ3 LYS A 112 2.113 -3.386 -22.845 1.00 3.41 H new ATOM 1779 N VAL A 113 8.568 0.201 -21.415 1.00 72.44 N ATOM 1780 CA VAL A 113 8.984 1.478 -20.850 1.00 41.51 C ATOM 1781 C VAL A 113 9.866 2.250 -21.826 1.00 22.44 C ATOM 1782 O VAL A 113 9.677 3.448 -22.037 1.00 72.51 O ATOM 1783 CB VAL A 113 9.748 1.285 -19.527 1.00 64.50 C ATOM 1784 CG1 VAL A 113 9.894 2.610 -18.795 1.00 63.12 C ATOM 1785 CG2 VAL A 113 9.046 0.257 -18.652 1.00 51.40 C ATOM 0 H VAL A 113 9.136 -0.594 -21.123 1.00 72.44 H new ATOM 0 HA VAL A 113 8.076 2.049 -20.656 1.00 41.51 H new ATOM 0 HB VAL A 113 10.747 0.913 -19.756 1.00 64.50 H new ATOM 0 HG11 VAL A 113 10.436 2.453 -17.863 1.00 63.12 H new ATOM 0 HG12 VAL A 113 10.444 3.313 -19.421 1.00 63.12 H new ATOM 0 HG13 VAL A 113 8.906 3.015 -18.576 1.00 63.12 H new ATOM 0 HG21 VAL A 113 9.599 0.133 -17.721 1.00 51.40 H new ATOM 0 HG22 VAL A 113 8.035 0.598 -18.430 1.00 51.40 H new ATOM 0 HG23 VAL A 113 9.000 -0.697 -19.177 1.00 51.40 H new ATOM 1795 N VAL A 114 10.832 1.554 -22.419 1.00 14.44 N ATOM 1796 CA VAL A 114 11.743 2.173 -23.374 1.00 0.02 C ATOM 1797 C VAL A 114 11.009 2.587 -24.644 1.00 44.14 C ATOM 1798 O VAL A 114 11.545 3.327 -25.470 1.00 1.24 O ATOM 1799 CB VAL A 114 12.896 1.222 -23.746 1.00 71.04 C ATOM 1800 CG1 VAL A 114 12.398 0.110 -24.657 1.00 50.35 C ATOM 1801 CG2 VAL A 114 14.031 1.993 -24.404 1.00 33.04 C ATOM 0 H VAL A 114 11.003 0.562 -22.255 1.00 14.44 H new ATOM 0 HA VAL A 114 12.155 3.059 -22.891 1.00 0.02 H new ATOM 0 HB VAL A 114 13.278 0.767 -22.832 1.00 71.04 H new ATOM 0 HG11 VAL A 114 13.226 -0.552 -24.909 1.00 50.35 H new ATOM 0 HG12 VAL A 114 11.622 -0.459 -24.146 1.00 50.35 H new ATOM 0 HG13 VAL A 114 11.989 0.543 -25.570 1.00 50.35 H new ATOM 0 HG21 VAL A 114 14.837 1.306 -24.660 1.00 33.04 H new ATOM 0 HG22 VAL A 114 13.665 2.477 -25.310 1.00 33.04 H new ATOM 0 HG23 VAL A 114 14.405 2.750 -23.714 1.00 33.04 H new ATOM 1811 N ASP A 115 9.781 2.105 -24.795 1.00 53.11 N ATOM 1812 CA ASP A 115 8.972 2.426 -25.965 1.00 54.21 C ATOM 1813 C ASP A 115 8.444 3.855 -25.885 1.00 15.20 C ATOM 1814 O ASP A 115 8.766 4.696 -26.725 1.00 34.21 O ATOM 1815 CB ASP A 115 7.805 1.445 -26.090 1.00 64.42 C ATOM 1816 CG ASP A 115 6.854 1.815 -27.211 1.00 43.31 C ATOM 1817 OD1 ASP A 115 7.275 2.554 -28.126 1.00 21.23 O ATOM 1818 OD2 ASP A 115 5.689 1.368 -27.173 1.00 71.54 O ATOM 0 H ASP A 115 9.323 1.490 -24.122 1.00 53.11 H new ATOM 0 HA ASP A 115 9.605 2.340 -26.848 1.00 54.21 H new ATOM 0 HB2 ASP A 115 8.195 0.442 -26.264 1.00 64.42 H new ATOM 0 HB3 ASP A 115 7.257 1.415 -25.148 1.00 64.42 H new ATOM 1823 N LYS A 116 7.630 4.124 -24.870 1.00 35.43 N ATOM 1824 CA LYS A 116 7.056 5.450 -24.678 1.00 51.45 C ATOM 1825 C LYS A 116 7.918 6.286 -23.737 1.00 63.55 C ATOM 1826 O LYS A 116 8.281 7.419 -24.053 1.00 51.34 O ATOM 1827 CB LYS A 116 5.635 5.339 -24.121 1.00 61.20 C ATOM 1828 CG LYS A 116 4.645 4.725 -25.096 1.00 45.34 C ATOM 1829 CD LYS A 116 4.384 3.263 -24.779 1.00 35.41 C ATOM 1830 CE LYS A 116 3.236 2.709 -25.610 1.00 21.23 C ATOM 1831 NZ LYS A 116 2.575 1.553 -24.942 1.00 41.40 N ATOM 0 H LYS A 116 7.353 3.440 -24.166 1.00 35.43 H new ATOM 0 HA LYS A 116 7.021 5.946 -25.648 1.00 51.45 H new ATOM 0 HB2 LYS A 116 5.656 4.739 -23.212 1.00 61.20 H new ATOM 0 HB3 LYS A 116 5.286 6.332 -23.839 1.00 61.20 H new ATOM 0 HG2 LYS A 116 3.707 5.279 -25.061 1.00 45.34 H new ATOM 0 HG3 LYS A 116 5.030 4.815 -26.112 1.00 45.34 H new ATOM 0 HD2 LYS A 116 5.286 2.682 -24.969 1.00 35.41 H new ATOM 0 HD3 LYS A 116 4.153 3.155 -23.719 1.00 35.41 H new ATOM 0 HE2 LYS A 116 2.502 3.495 -25.785 1.00 21.23 H new ATOM 0 HE3 LYS A 116 3.610 2.399 -26.586 1.00 21.23 H new ATOM 0 HZ1 LYS A 116 1.799 1.204 -25.540 1.00 41.40 H new ATOM 0 HZ2 LYS A 116 3.269 0.792 -24.797 1.00 41.40 H new ATOM 0 HZ3 LYS A 116 2.195 1.854 -24.022 1.00 41.40 H new ATOM 1845 N HIS A 117 8.245 5.718 -22.581 1.00 30.32 N ATOM 1846 CA HIS A 117 9.067 6.410 -21.595 1.00 22.23 C ATOM 1847 C HIS A 117 10.491 6.597 -22.110 1.00 1.13 C ATOM 1848 O HIS A 117 11.204 7.501 -21.677 1.00 44.32 O ATOM 1849 CB HIS A 117 9.087 5.631 -20.279 1.00 14.20 C ATOM 1850 CG HIS A 117 8.900 6.494 -19.069 1.00 54.34 C ATOM 1851 ND1 HIS A 117 9.841 7.407 -18.643 1.00 42.01 N ATOM 1852 CD2 HIS A 117 7.870 6.581 -18.194 1.00 44.44 C ATOM 1853 CE1 HIS A 117 9.400 8.017 -17.557 1.00 62.24 C ATOM 1854 NE2 HIS A 117 8.206 7.534 -17.264 1.00 41.34 N ATOM 0 H HIS A 117 7.953 4.781 -22.304 1.00 30.32 H new ATOM 0 HA HIS A 117 8.630 7.393 -21.420 1.00 22.23 H new ATOM 0 HB2 HIS A 117 8.301 4.876 -20.301 1.00 14.20 H new ATOM 0 HB3 HIS A 117 10.036 5.101 -20.194 1.00 14.20 H new ATOM 0 HD2 HIS A 117 6.955 6.008 -18.222 1.00 44.44 H new ATOM 0 HE1 HIS A 117 9.926 8.780 -17.003 1.00 62.24 H new ATOM 0 HE2 HIS A 117 7.627 7.822 -16.475 1.00 41.34 H new ATOM 1862 N GLY A 118 10.899 5.735 -23.036 1.00 74.33 N ATOM 1863 CA GLY A 118 12.236 5.822 -23.594 1.00 35.10 C ATOM 1864 C GLY A 118 13.298 5.324 -22.634 1.00 13.10 C ATOM 1865 O GLY A 118 14.490 5.374 -22.937 1.00 61.33 O ATOM 0 H GLY A 118 10.327 4.978 -23.410 1.00 74.33 H new ATOM 0 HA2 GLY A 118 12.281 5.240 -24.514 1.00 35.10 H new ATOM 0 HA3 GLY A 118 12.448 6.857 -23.861 1.00 35.10 H new ATOM 1869 N ILE A 119 12.865 4.845 -21.473 1.00 25.34 N ATOM 1870 CA ILE A 119 13.789 4.337 -20.465 1.00 75.23 C ATOM 1871 C ILE A 119 14.747 3.313 -21.064 1.00 72.12 C ATOM 1872 O ILE A 119 14.350 2.197 -21.397 1.00 31.40 O ATOM 1873 CB ILE A 119 13.036 3.691 -19.287 1.00 1.12 C ATOM 1874 CG1 ILE A 119 12.310 4.761 -18.469 1.00 2.40 C ATOM 1875 CG2 ILE A 119 14.000 2.909 -18.408 1.00 23.52 C ATOM 1876 CD1 ILE A 119 13.244 5.702 -17.741 1.00 2.41 C ATOM 0 H ILE A 119 11.882 4.798 -21.207 1.00 25.34 H new ATOM 0 HA ILE A 119 14.357 5.192 -20.098 1.00 75.23 H new ATOM 0 HB ILE A 119 12.294 2.999 -19.685 1.00 1.12 H new ATOM 0 HG12 ILE A 119 11.668 5.340 -19.132 1.00 2.40 H new ATOM 0 HG13 ILE A 119 11.660 4.273 -17.743 1.00 2.40 H new ATOM 0 HG21 ILE A 119 13.453 2.458 -17.580 1.00 23.52 H new ATOM 0 HG22 ILE A 119 14.476 2.126 -18.998 1.00 23.52 H new ATOM 0 HG23 ILE A 119 14.762 3.582 -18.016 1.00 23.52 H new ATOM 0 HD11 ILE A 119 12.660 6.434 -17.182 1.00 2.41 H new ATOM 0 HD12 ILE A 119 13.869 5.134 -17.052 1.00 2.41 H new ATOM 0 HD13 ILE A 119 13.877 6.218 -18.463 1.00 2.41 H new ATOM 1888 N ALA A 120 16.011 3.701 -21.197 1.00 20.41 N ATOM 1889 CA ALA A 120 17.027 2.815 -21.752 1.00 3.32 C ATOM 1890 C ALA A 120 17.472 1.778 -20.726 1.00 14.41 C ATOM 1891 O ALA A 120 17.341 1.989 -19.519 1.00 51.24 O ATOM 1892 CB ALA A 120 18.221 3.623 -22.240 1.00 70.31 C ATOM 0 H ALA A 120 16.356 4.623 -20.928 1.00 20.41 H new ATOM 0 HA ALA A 120 16.589 2.285 -22.598 1.00 3.32 H new ATOM 0 HB1 ALA A 120 18.972 2.949 -22.652 1.00 70.31 H new ATOM 0 HB2 ALA A 120 17.897 4.321 -23.012 1.00 70.31 H new ATOM 0 HB3 ALA A 120 18.650 4.178 -21.406 1.00 70.31 H new