USER MOD reduce.3.24.130724 H: found=0, std=0, add=1141, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1137 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 70 THR OG1 : rot 70:sc= 2.04 USER MOD Set 1.2: A 115 LYS NZ :NH3+ -167:sc= 0.922 (180deg=0) USER MOD Set 2.1: A 31 GLN : amide:sc= -1.25! C(o=0.052!,f=-5.5!) USER MOD Set 2.2: A 34 THR OG1 : rot 49:sc= 1.32 USER MOD Set 2.3: A 49 MET CE :methyl 173:sc= -0.021 (180deg=-0.086) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -112:sc= 0.104 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0205 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot -54:sc= 0.953 USER MOD Single : A 13 GLN : amide:sc= 0.211 K(o=0.21,f=-5.5!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -158:sc= 1.34 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.317 X(o=-0.32,f=-0.61) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.0996 K(o=-0.1,f=-0.62) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.188 USER MOD Single : A 71 SER OG : rot 3:sc= 1.19 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -178:sc= 0.852 USER MOD Single : A 77 THR OG1 : rot 73:sc= 1.21 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0238 USER MOD Single : A 79 HIS : no HD1:sc= -0.0259 X(o=-0.026,f=0) USER MOD Single : A 80 SER OG : rot -66:sc= 0.936 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.0493 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -1.73! K(o=-1.7!,f=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.201 X(o=-0.2,f=0) USER MOD Single : A 110 MET CE :methyl 160:sc= 0 (180deg=-0.207) USER MOD Single : A 112 MET CE :methyl -122:sc= 0 (180deg=-2.69e-05) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 27:sc= 0.142 USER MOD Single : A 125 ASN : amide:sc= -0.0864 X(o=-0.086,f=-0.086) USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 THR OG1 : rot -37:sc= 0.604 USER MOD Single : A 135 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 ASN : amide:sc= -0.0817 K(o=-0.082,f=-3.2!) USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 LYS NZ :NH3+ -127:sc= 0.0288 (180deg=0) USER MOD Single : A 145 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -39.662 33.739 -24.211 1.00 78.23 N ATOM 2 CA MET A 1 -39.959 34.932 -23.384 1.00 77.68 C ATOM 3 C MET A 1 -38.818 35.167 -22.399 1.00 75.82 C ATOM 4 O MET A 1 -38.091 34.230 -22.081 1.00 75.41 O ATOM 5 CB MET A 1 -41.289 34.796 -22.620 1.00 78.91 C ATOM 6 CG MET A 1 -42.515 34.940 -23.530 1.00 80.66 C ATOM 7 SD MET A 1 -44.085 35.055 -22.627 1.00 82.14 S ATOM 8 CE MET A 1 -44.366 33.313 -22.195 1.00 83.16 C ATOM 0 H1 MET A 1 -39.491 34.032 -25.194 1.00 78.23 H new ATOM 0 H2 MET A 1 -38.816 33.261 -23.840 1.00 78.23 H new ATOM 0 H3 MET A 1 -40.470 33.085 -24.180 1.00 78.23 H new ATOM 0 HA MET A 1 -40.057 35.784 -24.057 1.00 77.68 H new ATOM 0 HB2 MET A 1 -41.321 33.825 -22.126 1.00 78.91 H new ATOM 0 HB3 MET A 1 -41.332 35.553 -21.837 1.00 78.91 H new ATOM 0 HG2 MET A 1 -42.395 35.830 -24.148 1.00 80.66 H new ATOM 0 HG3 MET A 1 -42.557 34.086 -24.206 1.00 80.66 H new ATOM 0 HE1 MET A 1 -45.297 33.223 -21.635 1.00 83.16 H new ATOM 0 HE2 MET A 1 -44.431 32.718 -23.106 1.00 83.16 H new ATOM 0 HE3 MET A 1 -43.539 32.952 -21.584 1.00 83.16 H new ATOM 20 N GLY A 2 -38.685 36.385 -21.861 1.00 74.78 N ATOM 21 CA GLY A 2 -37.720 36.739 -20.808 1.00 73.04 C ATOM 22 C GLY A 2 -37.849 38.205 -20.392 1.00 72.17 C ATOM 23 O GLY A 2 -38.759 38.885 -20.853 1.00 73.02 O ATOM 0 H GLY A 2 -39.261 37.175 -22.153 1.00 74.78 H new ATOM 0 HA2 GLY A 2 -37.878 36.099 -19.940 1.00 73.04 H new ATOM 0 HA3 GLY A 2 -36.707 36.549 -21.164 1.00 73.04 H new ATOM 27 N HIS A 3 -36.943 38.705 -19.544 1.00 70.53 N ATOM 28 CA HIS A 3 -36.893 40.145 -19.222 1.00 69.59 C ATOM 29 C HIS A 3 -35.598 40.835 -19.679 1.00 67.99 C ATOM 30 O HIS A 3 -35.662 41.998 -20.061 1.00 67.86 O ATOM 31 CB HIS A 3 -37.175 40.344 -17.725 1.00 69.36 C ATOM 32 CG HIS A 3 -37.787 41.698 -17.442 1.00 69.54 C ATOM 33 ND1 HIS A 3 -37.125 42.904 -17.377 1.00 69.24 N ATOM 34 CD2 HIS A 3 -39.117 41.961 -17.234 1.00 70.13 C ATOM 35 CE1 HIS A 3 -38.028 43.858 -17.100 1.00 69.64 C ATOM 36 NE2 HIS A 3 -39.265 43.339 -17.043 1.00 70.21 N ATOM 0 H HIS A 3 -36.237 38.143 -19.069 1.00 70.53 H new ATOM 0 HA HIS A 3 -37.675 40.641 -19.796 1.00 69.59 H new ATOM 0 HB2 HIS A 3 -37.848 39.561 -17.375 1.00 69.36 H new ATOM 0 HB3 HIS A 3 -36.246 40.241 -17.164 1.00 69.36 H new ATOM 0 HD2 HIS A 3 -39.912 41.231 -17.220 1.00 70.13 H new ATOM 0 HE1 HIS A 3 -37.792 44.900 -16.944 1.00 69.64 H new ATOM 0 HE2 HIS A 3 -40.136 43.847 -16.891 1.00 70.21 H new ATOM 44 N THR A 4 -34.463 40.111 -19.715 1.00 66.88 N ATOM 45 CA THR A 4 -33.198 40.498 -20.373 1.00 65.42 C ATOM 46 C THR A 4 -32.678 41.877 -19.932 1.00 64.22 C ATOM 47 O THR A 4 -32.292 42.015 -18.773 1.00 64.00 O ATOM 48 CB THR A 4 -33.226 40.174 -21.885 1.00 65.89 C ATOM 49 OG1 THR A 4 -31.985 40.517 -22.445 1.00 65.08 O ATOM 50 CG2 THR A 4 -34.326 40.829 -22.727 1.00 66.73 C ATOM 0 H THR A 4 -34.399 39.198 -19.265 1.00 66.88 H new ATOM 0 HA THR A 4 -32.394 39.861 -20.005 1.00 65.42 H new ATOM 0 HB THR A 4 -33.449 39.108 -21.920 1.00 65.89 H new ATOM 0 HG1 THR A 4 -31.991 40.314 -23.404 1.00 65.08 H new ATOM 0 HG21 THR A 4 -34.225 40.514 -23.766 1.00 66.73 H new ATOM 0 HG22 THR A 4 -35.302 40.526 -22.349 1.00 66.73 H new ATOM 0 HG23 THR A 4 -34.234 41.913 -22.666 1.00 66.73 H new ATOM 58 N MET A 5 -32.574 42.852 -20.837 1.00 63.49 N ATOM 59 CA MET A 5 -31.767 44.075 -20.695 1.00 62.28 C ATOM 60 C MET A 5 -32.117 44.866 -19.418 1.00 61.31 C ATOM 61 O MET A 5 -33.213 45.435 -19.357 1.00 61.70 O ATOM 62 CB MET A 5 -31.931 44.963 -21.941 1.00 62.56 C ATOM 63 CG MET A 5 -31.447 44.265 -23.220 1.00 62.46 C ATOM 64 SD MET A 5 -31.548 45.296 -24.703 1.00 63.05 S ATOM 65 CE MET A 5 -31.092 44.043 -25.929 1.00 62.91 C ATOM 0 H MET A 5 -33.069 42.814 -21.728 1.00 63.49 H new ATOM 0 HA MET A 5 -30.725 43.769 -20.603 1.00 62.28 H new ATOM 0 HB2 MET A 5 -32.980 45.237 -22.054 1.00 62.56 H new ATOM 0 HB3 MET A 5 -31.373 45.889 -21.801 1.00 62.56 H new ATOM 0 HG2 MET A 5 -30.414 43.948 -23.080 1.00 62.46 H new ATOM 0 HG3 MET A 5 -32.039 43.363 -23.376 1.00 62.46 H new ATOM 0 HE1 MET A 5 -31.097 44.489 -26.924 1.00 62.91 H new ATOM 0 HE2 MET A 5 -30.095 43.662 -25.707 1.00 62.91 H new ATOM 0 HE3 MET A 5 -31.809 43.223 -25.895 1.00 62.91 H new ATOM 75 N PRO A 6 -31.214 44.929 -18.416 1.00 60.13 N ATOM 76 CA PRO A 6 -31.455 45.665 -17.187 1.00 59.22 C ATOM 77 C PRO A 6 -31.208 47.160 -17.399 1.00 58.51 C ATOM 78 O PRO A 6 -30.345 47.570 -18.179 1.00 58.37 O ATOM 79 CB PRO A 6 -30.482 45.073 -16.164 1.00 58.41 C ATOM 80 CG PRO A 6 -29.277 44.692 -17.023 1.00 58.38 C ATOM 81 CD PRO A 6 -29.915 44.263 -18.346 1.00 59.71 C ATOM 0 HA PRO A 6 -32.487 45.575 -16.848 1.00 59.22 H new ATOM 0 HB2 PRO A 6 -30.216 45.796 -15.393 1.00 58.41 H new ATOM 0 HB3 PRO A 6 -30.907 44.207 -15.656 1.00 58.41 H new ATOM 0 HG2 PRO A 6 -28.596 45.533 -17.158 1.00 58.38 H new ATOM 0 HG3 PRO A 6 -28.700 43.884 -16.573 1.00 58.38 H new ATOM 0 HD2 PRO A 6 -29.287 44.548 -19.190 1.00 59.71 H new ATOM 0 HD3 PRO A 6 -30.032 43.180 -18.387 1.00 59.71 H new ATOM 89 N ALA A 7 -31.929 47.980 -16.634 1.00 58.13 N ATOM 90 CA ALA A 7 -31.603 49.390 -16.441 1.00 57.37 C ATOM 91 C ALA A 7 -30.610 49.557 -15.274 1.00 55.87 C ATOM 92 O ALA A 7 -30.394 48.645 -14.475 1.00 55.51 O ATOM 93 CB ALA A 7 -32.914 50.161 -16.225 1.00 58.13 C ATOM 0 H ALA A 7 -32.762 47.680 -16.128 1.00 58.13 H new ATOM 0 HA ALA A 7 -31.106 49.799 -17.321 1.00 57.37 H new ATOM 0 HB1 ALA A 7 -32.694 51.219 -16.078 1.00 58.13 H new ATOM 0 HB2 ALA A 7 -33.555 50.041 -17.099 1.00 58.13 H new ATOM 0 HB3 ALA A 7 -33.425 49.771 -15.344 1.00 58.13 H new ATOM 99 N HIS A 8 -30.061 50.759 -15.103 1.00 55.12 N ATOM 100 CA HIS A 8 -29.233 51.119 -13.943 1.00 53.80 C ATOM 101 C HIS A 8 -30.102 51.344 -12.688 1.00 53.58 C ATOM 102 O HIS A 8 -30.238 52.460 -12.187 1.00 54.00 O ATOM 103 CB HIS A 8 -28.302 52.292 -14.303 1.00 53.61 C ATOM 104 CG HIS A 8 -27.070 51.821 -15.037 1.00 52.79 C ATOM 105 ND1 HIS A 8 -27.019 51.290 -16.306 1.00 52.86 N ATOM 106 CD2 HIS A 8 -25.805 51.730 -14.520 1.00 51.94 C ATOM 107 CE1 HIS A 8 -25.760 50.901 -16.546 1.00 52.09 C ATOM 108 NE2 HIS A 8 -24.980 51.123 -15.474 1.00 51.50 N ATOM 0 H HIS A 8 -30.177 51.521 -15.771 1.00 55.12 H new ATOM 0 HA HIS A 8 -28.578 50.288 -13.680 1.00 53.80 H new ATOM 0 HB2 HIS A 8 -28.842 53.009 -14.921 1.00 53.61 H new ATOM 0 HB3 HIS A 8 -28.006 52.815 -13.393 1.00 53.61 H new ATOM 0 HD2 HIS A 8 -25.496 52.069 -13.542 1.00 51.94 H new ATOM 0 HE1 HIS A 8 -25.418 50.468 -17.474 1.00 52.09 H new ATOM 0 HE2 HIS A 8 -23.990 50.896 -15.376 1.00 51.50 H new ATOM 116 N THR A 9 -30.705 50.239 -12.225 1.00 53.05 N ATOM 117 CA THR A 9 -31.648 50.064 -11.109 1.00 52.88 C ATOM 118 C THR A 9 -32.056 48.569 -10.968 1.00 52.20 C ATOM 119 O THR A 9 -33.250 48.293 -10.843 1.00 52.89 O ATOM 120 CB THR A 9 -32.825 51.058 -11.238 1.00 53.83 C ATOM 121 OG1 THR A 9 -33.776 50.808 -10.233 1.00 54.01 O ATOM 122 CG2 THR A 9 -33.551 51.004 -12.588 1.00 54.33 C ATOM 0 H THR A 9 -30.522 49.343 -12.676 1.00 53.05 H new ATOM 0 HA THR A 9 -31.166 50.314 -10.164 1.00 52.88 H new ATOM 0 HB THR A 9 -32.376 52.047 -11.143 1.00 53.83 H new ATOM 0 HG1 THR A 9 -34.049 49.867 -10.267 1.00 54.01 H new ATOM 0 HG21 THR A 9 -34.362 51.732 -12.594 1.00 54.33 H new ATOM 0 HG22 THR A 9 -32.849 51.236 -13.388 1.00 54.33 H new ATOM 0 HG23 THR A 9 -33.959 50.005 -12.742 1.00 54.33 H new ATOM 130 N PRO A 10 -31.128 47.583 -11.032 1.00 50.98 N ATOM 131 CA PRO A 10 -31.485 46.165 -11.004 1.00 50.34 C ATOM 132 C PRO A 10 -31.906 45.707 -9.591 1.00 49.87 C ATOM 133 O PRO A 10 -31.358 46.217 -8.612 1.00 49.56 O ATOM 134 CB PRO A 10 -30.233 45.418 -11.470 1.00 49.25 C ATOM 135 CG PRO A 10 -29.102 46.301 -10.943 1.00 48.91 C ATOM 136 CD PRO A 10 -29.671 47.710 -11.106 1.00 50.21 C ATOM 0 HA PRO A 10 -32.342 45.964 -11.647 1.00 50.34 H new ATOM 0 HB2 PRO A 10 -30.186 44.410 -11.058 1.00 49.25 H new ATOM 0 HB3 PRO A 10 -30.199 45.321 -12.555 1.00 49.25 H new ATOM 0 HG2 PRO A 10 -28.865 46.078 -9.903 1.00 48.91 H new ATOM 0 HG3 PRO A 10 -28.184 46.167 -11.515 1.00 48.91 H new ATOM 0 HD2 PRO A 10 -29.299 48.371 -10.323 1.00 50.21 H new ATOM 0 HD3 PRO A 10 -29.368 48.143 -12.059 1.00 50.21 H new ATOM 144 N PRO A 11 -32.832 44.731 -9.468 1.00 49.91 N ATOM 145 CA PRO A 11 -33.278 44.198 -8.185 1.00 49.55 C ATOM 146 C PRO A 11 -32.321 43.115 -7.653 1.00 48.03 C ATOM 147 O PRO A 11 -32.428 41.938 -7.999 1.00 47.79 O ATOM 148 CB PRO A 11 -34.689 43.661 -8.455 1.00 50.38 C ATOM 149 CG PRO A 11 -34.614 43.189 -9.908 1.00 50.46 C ATOM 150 CD PRO A 11 -33.646 44.187 -10.549 1.00 50.54 C ATOM 0 HA PRO A 11 -33.286 44.957 -7.402 1.00 49.55 H new ATOM 0 HB2 PRO A 11 -34.945 42.845 -7.780 1.00 50.38 H new ATOM 0 HB3 PRO A 11 -35.446 44.434 -8.322 1.00 50.38 H new ATOM 0 HG2 PRO A 11 -34.245 42.166 -9.981 1.00 50.46 H new ATOM 0 HG3 PRO A 11 -35.592 43.210 -10.389 1.00 50.46 H new ATOM 0 HD2 PRO A 11 -33.021 43.696 -11.295 1.00 50.54 H new ATOM 0 HD3 PRO A 11 -34.190 44.980 -11.061 1.00 50.54 H new ATOM 158 N ALA A 12 -31.400 43.506 -6.769 1.00 47.07 N ATOM 159 CA ALA A 12 -30.539 42.607 -6.005 1.00 45.68 C ATOM 160 C ALA A 12 -30.058 43.316 -4.733 1.00 45.02 C ATOM 161 O ALA A 12 -29.624 44.464 -4.800 1.00 45.24 O ATOM 162 CB ALA A 12 -29.358 42.151 -6.873 1.00 44.99 C ATOM 0 H ALA A 12 -31.229 44.490 -6.560 1.00 47.07 H new ATOM 0 HA ALA A 12 -31.100 41.720 -5.711 1.00 45.68 H new ATOM 0 HB1 ALA A 12 -28.720 41.481 -6.297 1.00 44.99 H new ATOM 0 HB2 ALA A 12 -29.733 41.628 -7.752 1.00 44.99 H new ATOM 0 HB3 ALA A 12 -28.780 43.020 -7.187 1.00 44.99 H new ATOM 168 N GLN A 13 -30.153 42.648 -3.582 1.00 44.33 N ATOM 169 CA GLN A 13 -29.852 43.257 -2.283 1.00 43.84 C ATOM 170 C GLN A 13 -28.341 43.377 -2.043 1.00 42.12 C ATOM 171 O GLN A 13 -27.840 44.479 -1.820 1.00 42.06 O ATOM 172 CB GLN A 13 -30.543 42.449 -1.163 1.00 44.33 C ATOM 173 CG GLN A 13 -32.085 42.487 -1.195 1.00 45.60 C ATOM 174 CD GLN A 13 -32.759 41.341 -1.964 1.00 46.07 C ATOM 175 OE1 GLN A 13 -32.370 40.952 -3.064 1.00 45.65 O ATOM 176 NE2 GLN A 13 -33.812 40.764 -1.412 1.00 47.10 N ATOM 0 H GLN A 13 -30.440 41.671 -3.523 1.00 44.33 H new ATOM 0 HA GLN A 13 -30.244 44.274 -2.278 1.00 43.84 H new ATOM 0 HB2 GLN A 13 -30.218 41.411 -1.230 1.00 44.33 H new ATOM 0 HB3 GLN A 13 -30.204 42.828 -0.199 1.00 44.33 H new ATOM 0 HG2 GLN A 13 -32.453 42.478 -0.169 1.00 45.60 H new ATOM 0 HG3 GLN A 13 -32.399 43.432 -1.638 1.00 45.60 H new ATOM 0 HE21 GLN A 13 -34.145 41.077 -0.500 1.00 47.10 H new ATOM 0 HE22 GLN A 13 -34.291 40.006 -1.898 1.00 47.10 H new ATOM 185 N THR A 14 -27.609 42.257 -2.135 1.00 40.80 N ATOM 186 CA THR A 14 -26.161 42.171 -1.904 1.00 39.11 C ATOM 187 C THR A 14 -25.573 41.174 -2.903 1.00 37.73 C ATOM 188 O THR A 14 -26.191 40.146 -3.160 1.00 37.91 O ATOM 189 CB THR A 14 -25.889 41.726 -0.456 1.00 38.89 C ATOM 190 OG1 THR A 14 -26.515 42.625 0.432 1.00 39.77 O ATOM 191 CG2 THR A 14 -24.401 41.733 -0.099 1.00 37.91 C ATOM 0 H THR A 14 -28.023 41.358 -2.380 1.00 40.80 H new ATOM 0 HA THR A 14 -25.693 43.145 -2.048 1.00 39.11 H new ATOM 0 HB THR A 14 -26.273 40.709 -0.371 1.00 38.89 H new ATOM 0 HG1 THR A 14 -26.345 42.344 1.355 1.00 39.77 H new ATOM 0 HG21 THR A 14 -24.273 41.410 0.934 1.00 37.91 H new ATOM 0 HG22 THR A 14 -23.865 41.053 -0.761 1.00 37.91 H new ATOM 0 HG23 THR A 14 -24.004 42.741 -0.216 1.00 37.91 H new ATOM 199 N ALA A 15 -24.381 41.457 -3.438 1.00 36.44 N ATOM 200 CA ALA A 15 -23.694 40.637 -4.445 1.00 35.09 C ATOM 201 C ALA A 15 -22.316 40.141 -3.932 1.00 33.36 C ATOM 202 O ALA A 15 -21.297 40.771 -4.242 1.00 32.92 O ATOM 203 CB ALA A 15 -23.593 41.469 -5.733 1.00 35.44 C ATOM 0 H ALA A 15 -23.850 42.288 -3.175 1.00 36.44 H new ATOM 0 HA ALA A 15 -24.260 39.729 -4.652 1.00 35.09 H new ATOM 0 HB1 ALA A 15 -23.086 40.887 -6.503 1.00 35.44 H new ATOM 0 HB2 ALA A 15 -24.594 41.731 -6.076 1.00 35.44 H new ATOM 0 HB3 ALA A 15 -23.027 42.379 -5.535 1.00 35.44 H new ATOM 209 N PRO A 16 -22.279 39.058 -3.125 1.00 32.51 N ATOM 210 CA PRO A 16 -21.060 38.542 -2.496 1.00 30.95 C ATOM 211 C PRO A 16 -20.140 37.853 -3.510 1.00 29.48 C ATOM 212 O PRO A 16 -20.507 37.657 -4.668 1.00 29.80 O ATOM 213 CB PRO A 16 -21.550 37.572 -1.412 1.00 30.91 C ATOM 214 CG PRO A 16 -22.850 37.027 -2.000 1.00 31.82 C ATOM 215 CD PRO A 16 -23.424 38.245 -2.722 1.00 33.15 C ATOM 0 HA PRO A 16 -20.455 39.344 -2.073 1.00 30.95 H new ATOM 0 HB2 PRO A 16 -20.828 36.778 -1.225 1.00 30.91 H new ATOM 0 HB3 PRO A 16 -21.718 38.080 -0.462 1.00 30.91 H new ATOM 0 HG2 PRO A 16 -22.669 36.198 -2.684 1.00 31.82 H new ATOM 0 HG3 PRO A 16 -23.523 36.660 -1.225 1.00 31.82 H new ATOM 0 HD2 PRO A 16 -24.011 37.942 -3.589 1.00 33.15 H new ATOM 0 HD3 PRO A 16 -24.090 38.808 -2.067 1.00 33.15 H new ATOM 223 N ALA A 17 -18.938 37.463 -3.066 1.00 27.96 N ATOM 224 CA ALA A 17 -17.982 36.714 -3.881 1.00 26.45 C ATOM 225 C ALA A 17 -18.450 35.263 -4.105 1.00 25.35 C ATOM 226 O ALA A 17 -18.809 34.569 -3.154 1.00 25.37 O ATOM 227 CB ALA A 17 -16.607 36.768 -3.200 1.00 25.82 C ATOM 0 H ALA A 17 -18.602 37.662 -2.123 1.00 27.96 H new ATOM 0 HA ALA A 17 -17.911 37.169 -4.869 1.00 26.45 H new ATOM 0 HB1 ALA A 17 -15.883 36.213 -3.797 1.00 25.82 H new ATOM 0 HB2 ALA A 17 -16.285 37.806 -3.112 1.00 25.82 H new ATOM 0 HB3 ALA A 17 -16.675 36.324 -2.207 1.00 25.82 H new ATOM 233 N ALA A 18 -18.447 34.813 -5.362 1.00 24.55 N ATOM 234 CA ALA A 18 -18.980 33.517 -5.797 1.00 23.60 C ATOM 235 C ALA A 18 -18.204 32.280 -5.274 1.00 21.91 C ATOM 236 O ALA A 18 -17.105 32.394 -4.725 1.00 21.48 O ATOM 237 CB ALA A 18 -19.025 33.539 -7.334 1.00 23.94 C ATOM 0 H ALA A 18 -18.060 35.359 -6.132 1.00 24.55 H new ATOM 0 HA ALA A 18 -19.972 33.398 -5.362 1.00 23.60 H new ATOM 0 HB1 ALA A 18 -19.417 32.590 -7.700 1.00 23.94 H new ATOM 0 HB2 ALA A 18 -19.671 34.351 -7.668 1.00 23.94 H new ATOM 0 HB3 ALA A 18 -18.019 33.691 -7.725 1.00 23.94 H new ATOM 243 N GLN A 19 -18.772 31.090 -5.503 1.00 21.10 N ATOM 244 CA GLN A 19 -18.149 29.809 -5.131 1.00 19.58 C ATOM 245 C GLN A 19 -16.910 29.511 -5.995 1.00 17.87 C ATOM 246 O GLN A 19 -16.990 28.875 -7.043 1.00 17.90 O ATOM 247 CB GLN A 19 -19.172 28.653 -5.195 1.00 20.11 C ATOM 248 CG GLN A 19 -20.208 28.672 -4.056 1.00 21.05 C ATOM 249 CD GLN A 19 -21.115 27.438 -4.095 1.00 21.69 C ATOM 250 OE1 GLN A 19 -20.733 26.333 -3.743 1.00 21.55 O ATOM 251 NE2 GLN A 19 -22.343 27.556 -4.558 1.00 22.61 N ATOM 0 H GLN A 19 -19.681 30.985 -5.954 1.00 21.10 H new ATOM 0 HA GLN A 19 -17.810 29.896 -4.099 1.00 19.58 H new ATOM 0 HB2 GLN A 19 -19.696 28.697 -6.150 1.00 20.11 H new ATOM 0 HB3 GLN A 19 -18.636 27.704 -5.169 1.00 20.11 H new ATOM 0 HG2 GLN A 19 -19.693 28.715 -3.096 1.00 21.05 H new ATOM 0 HG3 GLN A 19 -20.816 29.573 -4.132 1.00 21.05 H new ATOM 0 HE21 GLN A 19 -22.689 28.467 -4.859 1.00 22.61 H new ATOM 0 HE22 GLN A 19 -22.947 26.736 -4.615 1.00 22.61 H new ATOM 260 N LYS A 20 -15.725 29.931 -5.533 1.00 16.60 N ATOM 261 CA LYS A 20 -14.432 29.594 -6.142 1.00 15.08 C ATOM 262 C LYS A 20 -13.918 28.174 -5.762 1.00 13.76 C ATOM 263 O LYS A 20 -12.841 27.790 -6.211 1.00 13.43 O ATOM 264 CB LYS A 20 -13.427 30.729 -5.809 1.00 14.98 C ATOM 265 CG LYS A 20 -13.322 31.784 -6.934 1.00 15.69 C ATOM 266 CD LYS A 20 -12.501 33.017 -6.498 1.00 16.44 C ATOM 267 CE LYS A 20 -11.854 33.811 -7.651 1.00 17.23 C ATOM 268 NZ LYS A 20 -12.814 34.329 -8.654 1.00 18.45 N ATOM 0 H LYS A 20 -15.637 30.526 -4.709 1.00 16.60 H new ATOM 0 HA LYS A 20 -14.552 29.533 -7.224 1.00 15.08 H new ATOM 0 HB2 LYS A 20 -13.733 31.219 -4.885 1.00 14.98 H new ATOM 0 HB3 LYS A 20 -12.443 30.296 -5.630 1.00 14.98 H new ATOM 0 HG2 LYS A 20 -12.859 31.333 -7.812 1.00 15.69 H new ATOM 0 HG3 LYS A 20 -14.323 32.101 -7.228 1.00 15.69 H new ATOM 0 HD2 LYS A 20 -13.151 33.687 -5.936 1.00 16.44 H new ATOM 0 HD3 LYS A 20 -11.715 32.689 -5.817 1.00 16.44 H new ATOM 0 HE2 LYS A 20 -11.299 34.650 -7.231 1.00 17.23 H new ATOM 0 HE3 LYS A 20 -11.131 33.170 -8.156 1.00 17.23 H new ATOM 0 HZ1 LYS A 20 -12.298 34.849 -9.392 1.00 18.45 H new ATOM 0 HZ2 LYS A 20 -13.328 33.534 -9.085 1.00 18.45 H new ATOM 0 HZ3 LYS A 20 -13.491 34.968 -8.189 1.00 18.45 H new ATOM 282 N ALA A 21 -14.663 27.397 -4.970 1.00 13.25 N ATOM 283 CA ALA A 21 -14.345 26.000 -4.641 1.00 12.20 C ATOM 284 C ALA A 21 -15.229 25.048 -5.461 1.00 11.54 C ATOM 285 O ALA A 21 -16.441 25.242 -5.549 1.00 11.87 O ATOM 286 CB ALA A 21 -14.508 25.788 -3.131 1.00 12.63 C ATOM 0 H ALA A 21 -15.522 27.726 -4.530 1.00 13.25 H new ATOM 0 HA ALA A 21 -13.310 25.778 -4.903 1.00 12.20 H new ATOM 0 HB1 ALA A 21 -14.273 24.753 -2.881 1.00 12.63 H new ATOM 0 HB2 ALA A 21 -13.831 26.453 -2.595 1.00 12.63 H new ATOM 0 HB3 ALA A 21 -15.536 26.007 -2.842 1.00 12.63 H new ATOM 292 N GLY A 22 -14.618 24.009 -6.057 1.00 10.91 N ATOM 293 CA GLY A 22 -15.282 23.066 -6.970 1.00 10.47 C ATOM 294 C GLY A 22 -16.007 21.929 -6.239 1.00 9.87 C ATOM 295 O GLY A 22 -17.236 21.921 -6.234 1.00 10.71 O ATOM 0 H GLY A 22 -13.630 23.799 -5.914 1.00 10.91 H new ATOM 0 HA2 GLY A 22 -15.999 23.609 -7.585 1.00 10.47 H new ATOM 0 HA3 GLY A 22 -14.540 22.640 -7.646 1.00 10.47 H new ATOM 299 N ALA A 23 -15.239 20.987 -5.670 1.00 8.81 N ATOM 300 CA ALA A 23 -15.681 19.727 -5.043 1.00 8.29 C ATOM 301 C ALA A 23 -16.171 18.717 -6.098 1.00 7.82 C ATOM 302 O ALA A 23 -17.013 19.024 -6.936 1.00 8.47 O ATOM 303 CB ALA A 23 -16.709 19.982 -3.929 1.00 9.15 C ATOM 0 H ALA A 23 -14.225 21.090 -5.632 1.00 8.81 H new ATOM 0 HA ALA A 23 -14.818 19.269 -4.559 1.00 8.29 H new ATOM 0 HB1 ALA A 23 -17.012 19.032 -3.489 1.00 9.15 H new ATOM 0 HB2 ALA A 23 -16.263 20.612 -3.159 1.00 9.15 H new ATOM 0 HB3 ALA A 23 -17.582 20.483 -4.347 1.00 9.15 H new ATOM 309 N GLN A 24 -15.618 17.503 -6.093 1.00 7.19 N ATOM 310 CA GLN A 24 -15.758 16.568 -7.214 1.00 7.08 C ATOM 311 C GLN A 24 -16.141 15.173 -6.696 1.00 6.71 C ATOM 312 O GLN A 24 -15.326 14.251 -6.639 1.00 7.04 O ATOM 313 CB GLN A 24 -14.464 16.624 -8.053 1.00 7.26 C ATOM 314 CG GLN A 24 -14.671 16.094 -9.480 1.00 8.39 C ATOM 315 CD GLN A 24 -13.438 16.254 -10.362 1.00 9.18 C ATOM 316 OE1 GLN A 24 -12.732 15.308 -10.701 1.00 9.75 O ATOM 317 NE2 GLN A 24 -13.115 17.473 -10.779 1.00 9.68 N ATOM 0 H GLN A 24 -15.063 17.140 -5.318 1.00 7.19 H new ATOM 0 HA GLN A 24 -16.575 16.847 -7.880 1.00 7.08 H new ATOM 0 HB2 GLN A 24 -14.107 17.653 -8.098 1.00 7.26 H new ATOM 0 HB3 GLN A 24 -13.688 16.039 -7.559 1.00 7.26 H new ATOM 0 HG2 GLN A 24 -14.943 15.039 -9.434 1.00 8.39 H new ATOM 0 HG3 GLN A 24 -15.509 16.619 -9.938 1.00 8.39 H new ATOM 0 HE21 GLN A 24 -13.688 18.273 -10.509 1.00 9.68 H new ATOM 0 HE22 GLN A 24 -12.294 17.609 -11.369 1.00 9.68 H new ATOM 326 N ALA A 25 -17.398 15.050 -6.255 1.00 6.42 N ATOM 327 CA ALA A 25 -17.927 13.871 -5.573 1.00 6.25 C ATOM 328 C ALA A 25 -18.309 12.745 -6.556 1.00 5.95 C ATOM 329 O ALA A 25 -19.487 12.475 -6.797 1.00 6.75 O ATOM 330 CB ALA A 25 -19.096 14.320 -4.680 1.00 7.26 C ATOM 0 H ALA A 25 -18.091 15.790 -6.367 1.00 6.42 H new ATOM 0 HA ALA A 25 -17.153 13.429 -4.946 1.00 6.25 H new ATOM 0 HB1 ALA A 25 -19.509 13.456 -4.159 1.00 7.26 H new ATOM 0 HB2 ALA A 25 -18.738 15.047 -3.951 1.00 7.26 H new ATOM 0 HB3 ALA A 25 -19.871 14.776 -5.297 1.00 7.26 H new ATOM 336 N LEU A 26 -17.308 12.066 -7.127 1.00 5.19 N ATOM 337 CA LEU A 26 -17.524 10.845 -7.922 1.00 5.10 C ATOM 338 C LEU A 26 -17.838 9.653 -6.997 1.00 4.72 C ATOM 339 O LEU A 26 -17.267 9.578 -5.900 1.00 4.34 O ATOM 340 CB LEU A 26 -16.288 10.511 -8.793 1.00 5.14 C ATOM 341 CG LEU A 26 -16.180 11.209 -10.163 1.00 6.19 C ATOM 342 CD1 LEU A 26 -17.320 10.836 -11.121 1.00 7.41 C ATOM 343 CD2 LEU A 26 -16.090 12.725 -10.011 1.00 6.43 C ATOM 0 H LEU A 26 -16.329 12.343 -7.054 1.00 5.19 H new ATOM 0 HA LEU A 26 -18.372 11.028 -8.582 1.00 5.10 H new ATOM 0 HB2 LEU A 26 -15.394 10.755 -8.219 1.00 5.14 H new ATOM 0 HB3 LEU A 26 -16.275 9.434 -8.961 1.00 5.14 H new ATOM 0 HG LEU A 26 -15.255 10.844 -10.610 1.00 6.19 H new ATOM 0 HD11 LEU A 26 -17.186 11.360 -12.067 1.00 7.41 H new ATOM 0 HD12 LEU A 26 -17.310 9.760 -11.297 1.00 7.41 H new ATOM 0 HD13 LEU A 26 -18.275 11.122 -10.680 1.00 7.41 H new ATOM 0 HD21 LEU A 26 -16.015 13.186 -10.996 1.00 6.43 H new ATOM 0 HD22 LEU A 26 -16.982 13.094 -9.505 1.00 6.43 H new ATOM 0 HD23 LEU A 26 -15.208 12.980 -9.423 1.00 6.43 H new ATOM 355 N PRO A 27 -18.653 8.674 -7.449 1.00 5.21 N ATOM 356 CA PRO A 27 -18.947 7.447 -6.713 1.00 5.24 C ATOM 357 C PRO A 27 -17.737 6.497 -6.743 1.00 4.32 C ATOM 358 O PRO A 27 -17.735 5.484 -7.437 1.00 4.55 O ATOM 359 CB PRO A 27 -20.209 6.878 -7.376 1.00 6.48 C ATOM 360 CG PRO A 27 -20.053 7.308 -8.833 1.00 6.80 C ATOM 361 CD PRO A 27 -19.389 8.679 -8.709 1.00 6.20 C ATOM 0 HA PRO A 27 -19.131 7.612 -5.651 1.00 5.24 H new ATOM 0 HB2 PRO A 27 -20.263 5.794 -7.278 1.00 6.48 H new ATOM 0 HB3 PRO A 27 -21.117 7.283 -6.930 1.00 6.48 H new ATOM 0 HG2 PRO A 27 -19.436 6.609 -9.398 1.00 6.80 H new ATOM 0 HG3 PRO A 27 -21.015 7.368 -9.343 1.00 6.80 H new ATOM 0 HD2 PRO A 27 -18.718 8.862 -9.549 1.00 6.20 H new ATOM 0 HD3 PRO A 27 -20.135 9.473 -8.718 1.00 6.20 H new ATOM 369 N VAL A 28 -16.697 6.853 -5.987 1.00 3.55 N ATOM 370 CA VAL A 28 -15.450 6.098 -5.784 1.00 2.73 C ATOM 371 C VAL A 28 -15.043 6.235 -4.311 1.00 2.76 C ATOM 372 O VAL A 28 -15.234 7.299 -3.714 1.00 3.42 O ATOM 373 CB VAL A 28 -14.325 6.633 -6.709 1.00 2.40 C ATOM 374 CG1 VAL A 28 -12.942 6.028 -6.403 1.00 3.04 C ATOM 375 CG2 VAL A 28 -14.648 6.405 -8.198 1.00 2.86 C ATOM 0 H VAL A 28 -16.699 7.730 -5.466 1.00 3.55 H new ATOM 0 HA VAL A 28 -15.608 5.049 -6.034 1.00 2.73 H new ATOM 0 HB VAL A 28 -14.281 7.702 -6.502 1.00 2.40 H new ATOM 0 HG11 VAL A 28 -12.203 6.446 -7.087 1.00 3.04 H new ATOM 0 HG12 VAL A 28 -12.661 6.263 -5.376 1.00 3.04 H new ATOM 0 HG13 VAL A 28 -12.982 4.946 -6.529 1.00 3.04 H new ATOM 0 HG21 VAL A 28 -13.835 6.794 -8.810 1.00 2.86 H new ATOM 0 HG22 VAL A 28 -14.765 5.338 -8.386 1.00 2.86 H new ATOM 0 HG23 VAL A 28 -15.573 6.922 -8.453 1.00 2.86 H new ATOM 385 N THR A 29 -14.469 5.182 -3.713 1.00 2.38 N ATOM 386 CA THR A 29 -13.877 5.233 -2.357 1.00 2.48 C ATOM 387 C THR A 29 -12.554 4.469 -2.354 1.00 2.06 C ATOM 388 O THR A 29 -12.323 3.598 -3.185 1.00 2.28 O ATOM 389 CB THR A 29 -14.874 4.730 -1.294 1.00 3.23 C ATOM 390 OG1 THR A 29 -16.010 5.567 -1.301 1.00 3.79 O ATOM 391 CG2 THR A 29 -14.335 4.769 0.139 1.00 3.87 C ATOM 0 H THR A 29 -14.399 4.264 -4.153 1.00 2.38 H new ATOM 0 HA THR A 29 -13.660 6.267 -2.087 1.00 2.48 H new ATOM 0 HB THR A 29 -15.086 3.694 -1.558 1.00 3.23 H new ATOM 0 HG1 THR A 29 -16.651 5.254 -0.629 1.00 3.79 H new ATOM 0 HG21 THR A 29 -15.097 4.399 0.825 1.00 3.87 H new ATOM 0 HG22 THR A 29 -13.447 4.141 0.211 1.00 3.87 H new ATOM 0 HG23 THR A 29 -14.077 5.795 0.403 1.00 3.87 H new ATOM 399 N VAL A 30 -11.669 4.822 -1.427 1.00 2.15 N ATOM 400 CA VAL A 30 -10.311 4.296 -1.267 1.00 2.27 C ATOM 401 C VAL A 30 -10.041 4.206 0.238 1.00 2.02 C ATOM 402 O VAL A 30 -10.402 5.125 0.968 1.00 2.59 O ATOM 403 CB VAL A 30 -9.268 5.238 -1.923 1.00 3.46 C ATOM 404 CG1 VAL A 30 -7.880 4.575 -1.938 1.00 4.92 C ATOM 405 CG2 VAL A 30 -9.646 5.676 -3.352 1.00 4.50 C ATOM 0 H VAL A 30 -11.891 5.526 -0.723 1.00 2.15 H new ATOM 0 HA VAL A 30 -10.227 3.323 -1.750 1.00 2.27 H new ATOM 0 HB VAL A 30 -9.250 6.139 -1.310 1.00 3.46 H new ATOM 0 HG11 VAL A 30 -7.160 5.249 -2.402 1.00 4.92 H new ATOM 0 HG12 VAL A 30 -7.569 4.359 -0.916 1.00 4.92 H new ATOM 0 HG13 VAL A 30 -7.926 3.647 -2.507 1.00 4.92 H new ATOM 0 HG21 VAL A 30 -8.872 6.333 -3.748 1.00 4.50 H new ATOM 0 HG22 VAL A 30 -9.737 4.797 -3.990 1.00 4.50 H new ATOM 0 HG23 VAL A 30 -10.597 6.208 -3.330 1.00 4.50 H new ATOM 415 N GLN A 31 -9.425 3.113 0.700 1.00 2.22 N ATOM 416 CA GLN A 31 -9.217 2.842 2.136 1.00 2.76 C ATOM 417 C GLN A 31 -8.260 3.810 2.872 1.00 2.35 C ATOM 418 O GLN A 31 -8.215 3.771 4.098 1.00 3.69 O ATOM 419 CB GLN A 31 -8.814 1.367 2.358 1.00 3.98 C ATOM 420 CG GLN A 31 -7.860 0.743 1.336 1.00 4.32 C ATOM 421 CD GLN A 31 -6.658 1.608 0.976 1.00 4.05 C ATOM 422 OE1 GLN A 31 -5.858 1.977 1.805 1.00 4.89 O ATOM 423 NE2 GLN A 31 -6.420 1.971 -0.268 1.00 3.39 N ATOM 0 H GLN A 31 -9.053 2.385 0.090 1.00 2.22 H new ATOM 0 HA GLN A 31 -10.185 3.033 2.599 1.00 2.76 H new ATOM 0 HB2 GLN A 31 -8.354 1.287 3.343 1.00 3.98 H new ATOM 0 HB3 GLN A 31 -9.724 0.768 2.381 1.00 3.98 H new ATOM 0 HG2 GLN A 31 -7.501 -0.209 1.728 1.00 4.32 H new ATOM 0 HG3 GLN A 31 -8.418 0.523 0.426 1.00 4.32 H new ATOM 0 HE21 GLN A 31 -7.059 1.690 -1.012 1.00 3.39 H new ATOM 0 HE22 GLN A 31 -5.597 2.533 -0.487 1.00 3.39 H new ATOM 432 N GLY A 32 -7.538 4.695 2.172 1.00 1.54 N ATOM 433 CA GLY A 32 -6.789 5.790 2.811 1.00 1.99 C ATOM 434 C GLY A 32 -5.382 5.426 3.289 1.00 1.89 C ATOM 435 O GLY A 32 -4.822 6.128 4.124 1.00 2.51 O ATOM 0 H GLY A 32 -7.455 4.675 1.156 1.00 1.54 H new ATOM 0 HA2 GLY A 32 -6.713 6.617 2.105 1.00 1.99 H new ATOM 0 HA3 GLY A 32 -7.363 6.152 3.664 1.00 1.99 H new ATOM 439 N ALA A 33 -4.823 4.334 2.760 1.00 1.37 N ATOM 440 CA ALA A 33 -3.501 3.755 3.035 1.00 1.35 C ATOM 441 C ALA A 33 -3.416 3.180 4.448 1.00 1.23 C ATOM 442 O ALA A 33 -2.695 3.685 5.311 1.00 1.53 O ATOM 443 CB ALA A 33 -2.360 4.710 2.644 1.00 1.61 C ATOM 0 H ALA A 33 -5.328 3.782 2.066 1.00 1.37 H new ATOM 0 HA ALA A 33 -3.363 2.893 2.382 1.00 1.35 H new ATOM 0 HB1 ALA A 33 -1.401 4.241 2.865 1.00 1.61 H new ATOM 0 HB2 ALA A 33 -2.419 4.931 1.578 1.00 1.61 H new ATOM 0 HB3 ALA A 33 -2.450 5.636 3.212 1.00 1.61 H new ATOM 449 N THR A 34 -4.166 2.091 4.636 1.00 1.22 N ATOM 450 CA THR A 34 -4.342 1.388 5.901 1.00 1.16 C ATOM 451 C THR A 34 -3.157 0.482 6.240 1.00 1.07 C ATOM 452 O THR A 34 -2.959 -0.562 5.623 1.00 1.10 O ATOM 453 CB THR A 34 -5.648 0.585 5.873 1.00 1.36 C ATOM 454 OG1 THR A 34 -5.961 0.137 4.574 1.00 2.00 O ATOM 455 CG2 THR A 34 -6.821 1.431 6.353 1.00 2.73 C ATOM 0 H THR A 34 -4.689 1.659 3.874 1.00 1.22 H new ATOM 0 HA THR A 34 -4.394 2.140 6.689 1.00 1.16 H new ATOM 0 HB THR A 34 -5.491 -0.268 6.533 1.00 1.36 H new ATOM 0 HG1 THR A 34 -5.172 -0.285 4.174 1.00 2.00 H new ATOM 0 HG21 THR A 34 -7.734 0.837 6.323 1.00 2.73 H new ATOM 0 HG22 THR A 34 -6.637 1.762 7.375 1.00 2.73 H new ATOM 0 HG23 THR A 34 -6.932 2.300 5.705 1.00 2.73 H new ATOM 463 N VAL A 35 -2.409 0.832 7.287 1.00 1.06 N ATOM 464 CA VAL A 35 -1.278 0.017 7.794 1.00 1.00 C ATOM 465 C VAL A 35 -1.769 -1.100 8.736 1.00 1.02 C ATOM 466 O VAL A 35 -2.687 -0.878 9.532 1.00 1.04 O ATOM 467 CB VAL A 35 -0.209 0.860 8.530 1.00 0.92 C ATOM 468 CG1 VAL A 35 1.110 0.081 8.697 1.00 0.99 C ATOM 469 CG2 VAL A 35 0.109 2.179 7.799 1.00 1.08 C ATOM 0 H VAL A 35 -2.562 1.690 7.817 1.00 1.06 H new ATOM 0 HA VAL A 35 -0.815 -0.421 6.910 1.00 1.00 H new ATOM 0 HB VAL A 35 -0.640 1.085 9.506 1.00 0.92 H new ATOM 0 HG11 VAL A 35 1.837 0.704 9.218 1.00 0.99 H new ATOM 0 HG12 VAL A 35 0.927 -0.824 9.276 1.00 0.99 H new ATOM 0 HG13 VAL A 35 1.500 -0.189 7.716 1.00 0.99 H new ATOM 0 HG21 VAL A 35 0.864 2.732 8.358 1.00 1.08 H new ATOM 0 HG22 VAL A 35 0.485 1.960 6.800 1.00 1.08 H new ATOM 0 HG23 VAL A 35 -0.797 2.780 7.722 1.00 1.08 H new ATOM 479 N ALA A 36 -1.130 -2.277 8.699 1.00 1.06 N ATOM 480 CA ALA A 36 -1.366 -3.344 9.673 1.00 1.15 C ATOM 481 C ALA A 36 -0.545 -3.101 10.957 1.00 1.16 C ATOM 482 O ALA A 36 0.685 -3.226 10.982 1.00 1.70 O ATOM 483 CB ALA A 36 -1.061 -4.695 9.015 1.00 1.37 C ATOM 0 H ALA A 36 -0.435 -2.514 7.991 1.00 1.06 H new ATOM 0 HA ALA A 36 -2.412 -3.350 9.981 1.00 1.15 H new ATOM 0 HB1 ALA A 36 -1.234 -5.497 9.733 1.00 1.37 H new ATOM 0 HB2 ALA A 36 -1.712 -4.834 8.152 1.00 1.37 H new ATOM 0 HB3 ALA A 36 -0.020 -4.716 8.692 1.00 1.37 H new ATOM 489 N ALA A 37 -1.263 -2.717 12.013 1.00 0.96 N ATOM 490 CA ALA A 37 -0.810 -2.646 13.401 1.00 0.96 C ATOM 491 C ALA A 37 0.038 -3.848 13.856 1.00 1.02 C ATOM 492 O ALA A 37 -0.069 -4.951 13.329 1.00 1.28 O ATOM 493 CB ALA A 37 -2.057 -2.526 14.277 1.00 1.11 C ATOM 0 H ALA A 37 -2.237 -2.430 11.915 1.00 0.96 H new ATOM 0 HA ALA A 37 -0.150 -1.784 13.494 1.00 0.96 H new ATOM 0 HB1 ALA A 37 -1.762 -2.470 15.325 1.00 1.11 H new ATOM 0 HB2 ALA A 37 -2.606 -1.624 14.006 1.00 1.11 H new ATOM 0 HB3 ALA A 37 -2.693 -3.398 14.125 1.00 1.11 H new ATOM 499 N VAL A 38 0.848 -3.642 14.890 1.00 0.99 N ATOM 500 CA VAL A 38 1.874 -4.593 15.353 1.00 1.05 C ATOM 501 C VAL A 38 2.346 -4.178 16.769 1.00 1.15 C ATOM 502 O VAL A 38 2.380 -2.968 17.033 1.00 1.25 O ATOM 503 CB VAL A 38 3.045 -4.631 14.324 1.00 1.20 C ATOM 504 CG1 VAL A 38 3.807 -3.293 14.219 1.00 2.58 C ATOM 505 CG2 VAL A 38 4.047 -5.757 14.594 1.00 1.77 C ATOM 0 H VAL A 38 0.814 -2.789 15.449 1.00 0.99 H new ATOM 0 HA VAL A 38 1.466 -5.602 15.421 1.00 1.05 H new ATOM 0 HB VAL A 38 2.552 -4.824 13.371 1.00 1.20 H new ATOM 0 HG11 VAL A 38 4.609 -3.387 13.486 1.00 2.58 H new ATOM 0 HG12 VAL A 38 3.120 -2.507 13.906 1.00 2.58 H new ATOM 0 HG13 VAL A 38 4.231 -3.039 15.190 1.00 2.58 H new ATOM 0 HG21 VAL A 38 4.837 -5.729 13.843 1.00 1.77 H new ATOM 0 HG22 VAL A 38 4.483 -5.626 15.584 1.00 1.77 H new ATOM 0 HG23 VAL A 38 3.535 -6.718 14.547 1.00 1.77 H new ATOM 515 N PRO A 39 2.655 -5.119 17.690 1.00 1.22 N ATOM 516 CA PRO A 39 3.065 -4.798 19.058 1.00 1.39 C ATOM 517 C PRO A 39 4.559 -4.416 19.161 1.00 1.36 C ATOM 518 O PRO A 39 5.315 -4.694 18.227 1.00 1.29 O ATOM 519 CB PRO A 39 2.766 -6.072 19.858 1.00 1.56 C ATOM 520 CG PRO A 39 3.018 -7.180 18.845 1.00 1.42 C ATOM 521 CD PRO A 39 2.516 -6.563 17.545 1.00 1.26 C ATOM 0 HA PRO A 39 2.531 -3.926 19.434 1.00 1.39 H new ATOM 0 HB2 PRO A 39 3.417 -6.165 20.727 1.00 1.56 H new ATOM 0 HB3 PRO A 39 1.740 -6.087 20.225 1.00 1.56 H new ATOM 0 HG2 PRO A 39 4.074 -7.444 18.787 1.00 1.42 H new ATOM 0 HG3 PRO A 39 2.475 -8.091 19.097 1.00 1.42 H new ATOM 0 HD2 PRO A 39 3.095 -6.925 16.695 1.00 1.26 H new ATOM 0 HD3 PRO A 39 1.477 -6.836 17.362 1.00 1.26 H new ATOM 529 N PRO A 40 5.008 -3.833 20.299 1.00 1.57 N ATOM 530 CA PRO A 40 6.422 -3.608 20.604 1.00 1.75 C ATOM 531 C PRO A 40 7.204 -4.923 20.722 1.00 1.95 C ATOM 532 O PRO A 40 6.619 -5.975 20.955 1.00 3.16 O ATOM 533 CB PRO A 40 6.452 -2.840 21.932 1.00 2.06 C ATOM 534 CG PRO A 40 5.143 -3.241 22.603 1.00 2.10 C ATOM 535 CD PRO A 40 4.189 -3.388 21.420 1.00 1.81 C ATOM 0 HA PRO A 40 6.900 -3.049 19.800 1.00 1.75 H new ATOM 0 HB2 PRO A 40 7.315 -3.118 22.537 1.00 2.06 H new ATOM 0 HB3 PRO A 40 6.508 -1.763 21.772 1.00 2.06 H new ATOM 0 HG2 PRO A 40 5.243 -4.172 23.161 1.00 2.10 H new ATOM 0 HG3 PRO A 40 4.800 -2.483 23.307 1.00 2.10 H new ATOM 0 HD2 PRO A 40 3.402 -4.110 21.640 1.00 1.81 H new ATOM 0 HD3 PRO A 40 3.699 -2.441 21.194 1.00 1.81 H new ATOM 543 N SER A 41 8.529 -4.837 20.543 1.00 1.71 N ATOM 544 CA SER A 41 9.508 -5.945 20.427 1.00 1.86 C ATOM 545 C SER A 41 9.653 -6.351 18.954 1.00 1.73 C ATOM 546 O SER A 41 10.736 -6.717 18.502 1.00 1.89 O ATOM 547 CB SER A 41 9.174 -7.152 21.321 1.00 2.09 C ATOM 548 OG SER A 41 10.333 -7.925 21.608 1.00 2.44 O ATOM 0 H SER A 41 8.986 -3.928 20.469 1.00 1.71 H new ATOM 0 HA SER A 41 10.465 -5.576 20.795 1.00 1.86 H new ATOM 0 HB2 SER A 41 8.728 -6.804 22.253 1.00 2.09 H new ATOM 0 HB3 SER A 41 8.431 -7.778 20.826 1.00 2.09 H new ATOM 0 HG SER A 41 10.088 -8.683 22.179 1.00 2.44 H new ATOM 554 N ILE A 42 8.580 -6.204 18.167 1.00 1.55 N ATOM 555 CA ILE A 42 8.577 -6.349 16.708 1.00 1.41 C ATOM 556 C ILE A 42 8.701 -4.966 16.050 1.00 1.36 C ATOM 557 O ILE A 42 8.088 -4.005 16.509 1.00 1.71 O ATOM 558 CB ILE A 42 7.288 -7.073 16.258 1.00 1.45 C ATOM 559 CG1 ILE A 42 6.998 -8.381 17.032 1.00 1.86 C ATOM 560 CG2 ILE A 42 7.319 -7.349 14.744 1.00 1.41 C ATOM 561 CD1 ILE A 42 8.111 -9.437 16.976 1.00 2.37 C ATOM 0 H ILE A 42 7.660 -5.973 18.542 1.00 1.55 H new ATOM 0 HA ILE A 42 9.430 -6.951 16.395 1.00 1.41 H new ATOM 0 HB ILE A 42 6.471 -6.391 16.494 1.00 1.45 H new ATOM 0 HG12 ILE A 42 6.809 -8.132 18.076 1.00 1.86 H new ATOM 0 HG13 ILE A 42 6.082 -8.821 16.638 1.00 1.86 H new ATOM 0 HG21 ILE A 42 6.402 -7.859 14.448 1.00 1.41 H new ATOM 0 HG22 ILE A 42 7.400 -6.406 14.204 1.00 1.41 H new ATOM 0 HG23 ILE A 42 8.177 -7.978 14.506 1.00 1.41 H new ATOM 0 HD11 ILE A 42 7.810 -10.314 17.549 1.00 2.37 H new ATOM 0 HD12 ILE A 42 8.288 -9.724 15.940 1.00 2.37 H new ATOM 0 HD13 ILE A 42 9.026 -9.024 17.400 1.00 2.37 H new ATOM 573 N ARG A 43 9.506 -4.868 14.985 1.00 1.20 N ATOM 574 CA ARG A 43 9.809 -3.650 14.210 1.00 1.27 C ATOM 575 C ARG A 43 9.605 -3.902 12.712 1.00 1.09 C ATOM 576 O ARG A 43 10.310 -3.331 11.893 1.00 1.13 O ATOM 577 CB ARG A 43 11.236 -3.167 14.536 1.00 1.59 C ATOM 578 CG ARG A 43 12.346 -4.187 14.226 1.00 1.99 C ATOM 579 CD ARG A 43 13.723 -3.631 14.604 1.00 2.46 C ATOM 580 NE ARG A 43 14.743 -4.698 14.554 1.00 3.09 N ATOM 581 CZ ARG A 43 15.772 -4.839 15.383 1.00 3.51 C ATOM 582 NH1 ARG A 43 16.098 -3.903 16.246 1.00 3.60 N ATOM 583 NH2 ARG A 43 16.491 -5.940 15.352 1.00 4.31 N ATOM 0 H ARG A 43 9.995 -5.684 14.616 1.00 1.20 H new ATOM 0 HA ARG A 43 9.119 -2.855 14.493 1.00 1.27 H new ATOM 0 HB2 ARG A 43 11.433 -2.254 13.974 1.00 1.59 H new ATOM 0 HB3 ARG A 43 11.285 -2.908 15.594 1.00 1.59 H new ATOM 0 HG2 ARG A 43 12.160 -5.111 14.774 1.00 1.99 H new ATOM 0 HG3 ARG A 43 12.329 -4.437 13.165 1.00 1.99 H new ATOM 0 HD2 ARG A 43 13.996 -2.826 13.922 1.00 2.46 H new ATOM 0 HD3 ARG A 43 13.686 -3.202 15.605 1.00 2.46 H new ATOM 0 HE ARG A 43 14.649 -5.392 13.813 1.00 3.09 H new ATOM 0 HH11 ARG A 43 15.556 -3.040 16.292 1.00 3.60 H new ATOM 0 HH12 ARG A 43 16.893 -4.039 16.870 1.00 3.60 H new ATOM 0 HH21 ARG A 43 16.258 -6.683 14.693 1.00 4.31 H new ATOM 0 HH22 ARG A 43 17.281 -6.051 15.987 1.00 4.31 H new ATOM 597 N ASP A 44 8.657 -4.757 12.342 1.00 1.01 N ATOM 598 CA ASP A 44 8.399 -5.162 10.959 1.00 0.93 C ATOM 599 C ASP A 44 6.901 -5.448 10.791 1.00 0.78 C ATOM 600 O ASP A 44 6.281 -6.026 11.681 1.00 0.87 O ATOM 601 CB ASP A 44 9.233 -6.409 10.620 1.00 1.17 C ATOM 602 CG ASP A 44 10.735 -6.249 10.874 1.00 1.56 C ATOM 603 OD1 ASP A 44 11.189 -6.540 12.007 1.00 2.51 O ATOM 604 OD2 ASP A 44 11.463 -5.892 9.922 1.00 2.16 O ATOM 0 H ASP A 44 8.029 -5.201 13.012 1.00 1.01 H new ATOM 0 HA ASP A 44 8.685 -4.362 10.276 1.00 0.93 H new ATOM 0 HB2 ASP A 44 8.864 -7.250 11.208 1.00 1.17 H new ATOM 0 HB3 ASP A 44 9.078 -6.661 9.571 1.00 1.17 H new ATOM 609 N THR A 45 6.307 -5.034 9.666 1.00 0.73 N ATOM 610 CA THR A 45 4.870 -5.223 9.373 1.00 0.86 C ATOM 611 C THR A 45 4.579 -5.071 7.886 1.00 0.73 C ATOM 612 O THR A 45 5.488 -4.862 7.093 1.00 0.75 O ATOM 613 CB THR A 45 3.989 -4.342 10.282 1.00 1.14 C ATOM 614 OG1 THR A 45 2.687 -4.884 10.249 1.00 2.71 O ATOM 615 CG2 THR A 45 3.944 -2.867 9.877 1.00 1.61 C ATOM 0 H THR A 45 6.811 -4.552 8.921 1.00 0.73 H new ATOM 0 HA THR A 45 4.600 -6.251 9.616 1.00 0.86 H new ATOM 0 HB THR A 45 4.423 -4.352 11.282 1.00 1.14 H new ATOM 0 HG1 THR A 45 2.039 -4.194 10.502 1.00 2.71 H new ATOM 0 HG21 THR A 45 3.303 -2.319 10.568 1.00 1.61 H new ATOM 0 HG22 THR A 45 4.951 -2.450 9.908 1.00 1.61 H new ATOM 0 HG23 THR A 45 3.546 -2.779 8.866 1.00 1.61 H new ATOM 623 N ALA A 46 3.314 -5.167 7.495 1.00 0.84 N ATOM 624 CA ALA A 46 2.828 -4.875 6.147 1.00 0.83 C ATOM 625 C ALA A 46 1.793 -3.734 6.157 1.00 0.73 C ATOM 626 O ALA A 46 1.192 -3.433 7.187 1.00 0.78 O ATOM 627 CB ALA A 46 2.238 -6.169 5.569 1.00 1.09 C ATOM 0 H ALA A 46 2.570 -5.460 8.128 1.00 0.84 H new ATOM 0 HA ALA A 46 3.651 -4.532 5.520 1.00 0.83 H new ATOM 0 HB1 ALA A 46 1.867 -5.981 4.562 1.00 1.09 H new ATOM 0 HB2 ALA A 46 3.011 -6.937 5.534 1.00 1.09 H new ATOM 0 HB3 ALA A 46 1.417 -6.509 6.201 1.00 1.09 H new ATOM 633 N ALA A 47 1.531 -3.138 4.993 1.00 0.80 N ATOM 634 CA ALA A 47 0.336 -2.315 4.769 1.00 0.71 C ATOM 635 C ALA A 47 -0.604 -2.985 3.752 1.00 0.76 C ATOM 636 O ALA A 47 -0.156 -3.721 2.871 1.00 0.96 O ATOM 637 CB ALA A 47 0.735 -0.888 4.360 1.00 0.78 C ATOM 0 H ALA A 47 2.139 -3.211 4.178 1.00 0.80 H new ATOM 0 HA ALA A 47 -0.221 -2.233 5.702 1.00 0.71 H new ATOM 0 HB1 ALA A 47 -0.163 -0.292 4.198 1.00 0.78 H new ATOM 0 HB2 ALA A 47 1.333 -0.436 5.152 1.00 0.78 H new ATOM 0 HB3 ALA A 47 1.318 -0.923 3.440 1.00 0.78 H new ATOM 643 N TYR A 48 -1.904 -2.731 3.915 1.00 0.79 N ATOM 644 CA TYR A 48 -2.993 -3.265 3.093 1.00 0.89 C ATOM 645 C TYR A 48 -3.710 -2.099 2.400 1.00 0.82 C ATOM 646 O TYR A 48 -4.065 -1.118 3.051 1.00 0.95 O ATOM 647 CB TYR A 48 -4.002 -4.016 3.984 1.00 1.26 C ATOM 648 CG TYR A 48 -3.628 -5.426 4.415 1.00 1.31 C ATOM 649 CD1 TYR A 48 -2.482 -5.665 5.204 1.00 2.40 C ATOM 650 CD2 TYR A 48 -4.468 -6.508 4.073 1.00 2.52 C ATOM 651 CE1 TYR A 48 -2.160 -6.970 5.618 1.00 3.06 C ATOM 652 CE2 TYR A 48 -4.152 -7.817 4.481 1.00 3.25 C ATOM 653 CZ TYR A 48 -2.995 -8.052 5.257 1.00 3.10 C ATOM 654 OH TYR A 48 -2.705 -9.310 5.682 1.00 4.11 O ATOM 0 H TYR A 48 -2.242 -2.119 4.658 1.00 0.79 H new ATOM 0 HA TYR A 48 -2.585 -3.952 2.352 1.00 0.89 H new ATOM 0 HB2 TYR A 48 -4.170 -3.421 4.882 1.00 1.26 H new ATOM 0 HB3 TYR A 48 -4.952 -4.065 3.452 1.00 1.26 H new ATOM 0 HD1 TYR A 48 -1.848 -4.840 5.492 1.00 2.40 H new ATOM 0 HD2 TYR A 48 -5.361 -6.329 3.493 1.00 2.52 H new ATOM 0 HE1 TYR A 48 -1.275 -7.145 6.212 1.00 3.06 H new ATOM 0 HE2 TYR A 48 -4.793 -8.640 4.202 1.00 3.25 H new ATOM 0 HH TYR A 48 -3.382 -9.933 5.344 1.00 4.11 H new ATOM 664 N MET A 49 -3.969 -2.188 1.094 1.00 0.90 N ATOM 665 CA MET A 49 -4.687 -1.158 0.340 1.00 1.16 C ATOM 666 C MET A 49 -5.672 -1.779 -0.660 1.00 1.04 C ATOM 667 O MET A 49 -5.586 -2.958 -0.996 1.00 1.14 O ATOM 668 CB MET A 49 -3.710 -0.163 -0.327 1.00 1.53 C ATOM 669 CG MET A 49 -2.907 0.644 0.692 1.00 2.30 C ATOM 670 SD MET A 49 -1.820 1.911 -0.018 1.00 3.63 S ATOM 671 CE MET A 49 -3.013 3.109 -0.667 1.00 4.60 C ATOM 0 H MET A 49 -3.684 -2.985 0.524 1.00 0.90 H new ATOM 0 HA MET A 49 -5.284 -0.581 1.046 1.00 1.16 H new ATOM 0 HB2 MET A 49 -3.024 -0.711 -0.973 1.00 1.53 H new ATOM 0 HB3 MET A 49 -4.272 0.520 -0.965 1.00 1.53 H new ATOM 0 HG2 MET A 49 -3.602 1.127 1.379 1.00 2.30 H new ATOM 0 HG3 MET A 49 -2.301 -0.044 1.282 1.00 2.30 H new ATOM 0 HE1 MET A 49 -2.484 3.995 -1.018 1.00 4.60 H new ATOM 0 HE2 MET A 49 -3.563 2.662 -1.495 1.00 4.60 H new ATOM 0 HE3 MET A 49 -3.711 3.391 0.121 1.00 4.60 H new ATOM 681 N THR A 50 -6.611 -0.962 -1.138 1.00 1.15 N ATOM 682 CA THR A 50 -7.697 -1.325 -2.057 1.00 1.07 C ATOM 683 C THR A 50 -8.413 -0.080 -2.579 1.00 1.24 C ATOM 684 O THR A 50 -8.443 0.953 -1.899 1.00 1.65 O ATOM 685 CB THR A 50 -8.630 -2.396 -1.454 1.00 1.29 C ATOM 686 OG1 THR A 50 -9.465 -2.908 -2.455 1.00 2.26 O ATOM 687 CG2 THR A 50 -9.517 -1.923 -0.306 1.00 2.59 C ATOM 0 H THR A 50 -6.638 0.025 -0.882 1.00 1.15 H new ATOM 0 HA THR A 50 -7.263 -1.803 -2.935 1.00 1.07 H new ATOM 0 HB THR A 50 -7.957 -3.146 -1.039 1.00 1.29 H new ATOM 0 HG1 THR A 50 -10.056 -3.589 -2.071 1.00 2.26 H new ATOM 0 HG21 THR A 50 -10.132 -2.752 0.044 1.00 2.59 H new ATOM 0 HG22 THR A 50 -8.893 -1.564 0.512 1.00 2.59 H new ATOM 0 HG23 THR A 50 -10.161 -1.115 -0.653 1.00 2.59 H new ATOM 695 N LEU A 51 -8.947 -0.145 -3.796 1.00 1.31 N ATOM 696 CA LEU A 51 -9.797 0.888 -4.394 1.00 1.51 C ATOM 697 C LEU A 51 -11.160 0.276 -4.733 1.00 1.61 C ATOM 698 O LEU A 51 -11.239 -0.905 -5.081 1.00 2.12 O ATOM 699 CB LEU A 51 -9.139 1.450 -5.671 1.00 1.95 C ATOM 700 CG LEU A 51 -8.124 2.591 -5.451 1.00 2.51 C ATOM 701 CD1 LEU A 51 -6.786 2.146 -4.850 1.00 3.80 C ATOM 702 CD2 LEU A 51 -7.838 3.303 -6.782 1.00 3.38 C ATOM 0 H LEU A 51 -8.797 -0.942 -4.415 1.00 1.31 H new ATOM 0 HA LEU A 51 -9.926 1.706 -3.685 1.00 1.51 H new ATOM 0 HB2 LEU A 51 -8.634 0.634 -6.188 1.00 1.95 H new ATOM 0 HB3 LEU A 51 -9.925 1.810 -6.335 1.00 1.95 H new ATOM 0 HG LEU A 51 -8.595 3.256 -4.727 1.00 2.51 H new ATOM 0 HD11 LEU A 51 -6.135 3.012 -4.730 1.00 3.80 H new ATOM 0 HD12 LEU A 51 -6.959 1.685 -3.878 1.00 3.80 H new ATOM 0 HD13 LEU A 51 -6.311 1.424 -5.514 1.00 3.80 H new ATOM 0 HD21 LEU A 51 -7.121 4.107 -6.618 1.00 3.38 H new ATOM 0 HD22 LEU A 51 -7.426 2.589 -7.495 1.00 3.38 H new ATOM 0 HD23 LEU A 51 -8.764 3.719 -7.179 1.00 3.38 H new ATOM 714 N THR A 52 -12.226 1.083 -4.706 1.00 1.57 N ATOM 715 CA THR A 52 -13.560 0.632 -5.115 1.00 1.82 C ATOM 716 C THR A 52 -14.187 1.662 -6.045 1.00 1.84 C ATOM 717 O THR A 52 -14.467 2.793 -5.648 1.00 2.10 O ATOM 718 CB THR A 52 -14.381 0.232 -3.881 1.00 2.26 C ATOM 719 OG1 THR A 52 -15.385 -0.659 -4.294 1.00 2.66 O ATOM 720 CG2 THR A 52 -15.052 1.348 -3.087 1.00 2.85 C ATOM 0 H THR A 52 -12.190 2.056 -4.404 1.00 1.57 H new ATOM 0 HA THR A 52 -13.514 -0.280 -5.710 1.00 1.82 H new ATOM 0 HB THR A 52 -13.646 -0.192 -3.197 1.00 2.26 H new ATOM 0 HG1 THR A 52 -15.921 -0.929 -3.520 1.00 2.66 H new ATOM 0 HG21 THR A 52 -15.596 0.919 -2.245 1.00 2.85 H new ATOM 0 HG22 THR A 52 -14.294 2.037 -2.716 1.00 2.85 H new ATOM 0 HG23 THR A 52 -15.747 1.886 -3.732 1.00 2.85 H new ATOM 728 N ASN A 53 -14.358 1.257 -7.307 1.00 1.76 N ATOM 729 CA ASN A 53 -14.967 2.024 -8.396 1.00 1.77 C ATOM 730 C ASN A 53 -16.301 1.372 -8.829 1.00 1.91 C ATOM 731 O ASN A 53 -16.452 0.151 -8.745 1.00 2.15 O ATOM 732 CB ASN A 53 -14.033 2.032 -9.629 1.00 1.68 C ATOM 733 CG ASN A 53 -12.711 2.780 -9.506 1.00 2.03 C ATOM 734 OD1 ASN A 53 -12.319 3.322 -8.477 1.00 3.31 O ATOM 735 ND2 ASN A 53 -11.967 2.842 -10.604 1.00 2.11 N ATOM 0 H ASN A 53 -14.057 0.331 -7.613 1.00 1.76 H new ATOM 0 HA ASN A 53 -15.137 3.039 -8.036 1.00 1.77 H new ATOM 0 HB2 ASN A 53 -13.811 0.997 -9.889 1.00 1.68 H new ATOM 0 HB3 ASN A 53 -14.585 2.460 -10.466 1.00 1.68 H new ATOM 0 HD21 ASN A 53 -11.076 3.338 -10.589 1.00 2.11 H new ATOM 0 HD22 ASN A 53 -12.287 2.394 -11.463 1.00 2.11 H new ATOM 742 N LYS A 54 -17.236 2.169 -9.368 1.00 2.05 N ATOM 743 CA LYS A 54 -18.477 1.665 -10.011 1.00 2.39 C ATOM 744 C LYS A 54 -18.907 2.443 -11.281 1.00 2.34 C ATOM 745 O LYS A 54 -19.987 2.233 -11.839 1.00 3.26 O ATOM 746 CB LYS A 54 -19.583 1.501 -8.935 1.00 3.16 C ATOM 747 CG LYS A 54 -19.910 0.012 -8.701 1.00 3.78 C ATOM 748 CD LYS A 54 -20.736 -0.253 -7.431 1.00 4.40 C ATOM 749 CE LYS A 54 -20.993 -1.767 -7.318 1.00 5.37 C ATOM 750 NZ LYS A 54 -21.489 -2.189 -5.983 1.00 5.75 N ATOM 0 H LYS A 54 -17.160 3.186 -9.374 1.00 2.05 H new ATOM 0 HA LYS A 54 -18.269 0.678 -10.423 1.00 2.39 H new ATOM 0 HB2 LYS A 54 -19.256 1.957 -8.000 1.00 3.16 H new ATOM 0 HB3 LYS A 54 -20.483 2.030 -9.250 1.00 3.16 H new ATOM 0 HG2 LYS A 54 -20.456 -0.370 -9.564 1.00 3.78 H new ATOM 0 HG3 LYS A 54 -18.978 -0.549 -8.640 1.00 3.78 H new ATOM 0 HD2 LYS A 54 -20.203 0.107 -6.551 1.00 4.40 H new ATOM 0 HD3 LYS A 54 -21.681 0.289 -7.475 1.00 4.40 H new ATOM 0 HE2 LYS A 54 -21.719 -2.061 -8.076 1.00 5.37 H new ATOM 0 HE3 LYS A 54 -20.069 -2.301 -7.538 1.00 5.37 H new ATOM 0 HZ1 LYS A 54 -21.640 -3.218 -5.978 1.00 5.75 H new ATOM 0 HZ2 LYS A 54 -20.788 -1.939 -5.257 1.00 5.75 H new ATOM 0 HZ3 LYS A 54 -22.387 -1.706 -5.778 1.00 5.75 H new ATOM 764 N SER A 55 -18.003 3.268 -11.820 1.00 1.62 N ATOM 765 CA SER A 55 -18.106 3.941 -13.118 1.00 1.68 C ATOM 766 C SER A 55 -16.692 4.093 -13.712 1.00 1.42 C ATOM 767 O SER A 55 -15.699 3.839 -13.026 1.00 1.97 O ATOM 768 CB SER A 55 -18.768 5.329 -12.979 1.00 2.16 C ATOM 769 OG SER A 55 -20.057 5.293 -12.387 1.00 2.64 O ATOM 0 H SER A 55 -17.134 3.496 -11.337 1.00 1.62 H new ATOM 0 HA SER A 55 -18.731 3.339 -13.778 1.00 1.68 H new ATOM 0 HB2 SER A 55 -18.122 5.971 -12.381 1.00 2.16 H new ATOM 0 HB3 SER A 55 -18.845 5.785 -13.966 1.00 2.16 H new ATOM 0 HG SER A 55 -20.416 6.203 -12.328 1.00 2.64 H new ATOM 775 N ASP A 56 -16.591 4.515 -14.977 1.00 1.50 N ATOM 776 CA ASP A 56 -15.343 4.611 -15.748 1.00 1.46 C ATOM 777 C ASP A 56 -14.442 5.777 -15.300 1.00 1.53 C ATOM 778 O ASP A 56 -14.239 6.750 -16.022 1.00 1.96 O ATOM 779 CB ASP A 56 -15.663 4.733 -17.243 1.00 1.88 C ATOM 780 CG ASP A 56 -16.541 3.608 -17.761 1.00 2.71 C ATOM 781 OD1 ASP A 56 -16.025 2.508 -18.030 1.00 3.79 O ATOM 782 OD2 ASP A 56 -17.746 3.861 -17.939 1.00 3.33 O ATOM 0 H ASP A 56 -17.406 4.811 -15.514 1.00 1.50 H new ATOM 0 HA ASP A 56 -14.782 3.696 -15.559 1.00 1.46 H new ATOM 0 HB2 ASP A 56 -16.160 5.686 -17.425 1.00 1.88 H new ATOM 0 HB3 ASP A 56 -14.731 4.747 -17.807 1.00 1.88 H new ATOM 787 N GLN A 57 -13.904 5.693 -14.088 1.00 1.44 N ATOM 788 CA GLN A 57 -12.947 6.663 -13.539 1.00 1.70 C ATOM 789 C GLN A 57 -11.628 5.957 -13.183 1.00 1.67 C ATOM 790 O GLN A 57 -11.513 5.393 -12.092 1.00 1.82 O ATOM 791 CB GLN A 57 -13.572 7.368 -12.317 1.00 2.05 C ATOM 792 CG GLN A 57 -14.825 8.195 -12.663 1.00 2.09 C ATOM 793 CD GLN A 57 -14.579 9.315 -13.682 1.00 2.94 C ATOM 794 OE1 GLN A 57 -13.475 9.796 -13.875 1.00 3.43 O ATOM 795 NE2 GLN A 57 -15.596 9.787 -14.369 1.00 4.09 N ATOM 0 H GLN A 57 -14.122 4.935 -13.442 1.00 1.44 H new ATOM 0 HA GLN A 57 -12.719 7.424 -14.285 1.00 1.70 H new ATOM 0 HB2 GLN A 57 -13.835 6.619 -11.570 1.00 2.05 H new ATOM 0 HB3 GLN A 57 -12.827 8.023 -11.864 1.00 2.05 H new ATOM 0 HG2 GLN A 57 -15.591 7.526 -13.054 1.00 2.09 H new ATOM 0 HG3 GLN A 57 -15.221 8.633 -11.747 1.00 2.09 H new ATOM 0 HE21 GLN A 57 -16.530 9.402 -14.227 1.00 4.09 H new ATOM 0 HE22 GLN A 57 -15.451 10.538 -15.044 1.00 4.09 H new ATOM 804 N PRO A 58 -10.631 5.919 -14.091 1.00 1.64 N ATOM 805 CA PRO A 58 -9.320 5.380 -13.774 1.00 1.73 C ATOM 806 C PRO A 58 -8.473 6.424 -13.041 1.00 1.81 C ATOM 807 O PRO A 58 -8.555 7.623 -13.309 1.00 2.30 O ATOM 808 CB PRO A 58 -8.708 4.978 -15.108 1.00 1.87 C ATOM 809 CG PRO A 58 -9.272 6.042 -16.057 1.00 1.90 C ATOM 810 CD PRO A 58 -10.676 6.319 -15.494 1.00 1.71 C ATOM 0 HA PRO A 58 -9.377 4.522 -13.104 1.00 1.73 H new ATOM 0 HB2 PRO A 58 -7.619 4.996 -15.078 1.00 1.87 H new ATOM 0 HB3 PRO A 58 -9.002 3.971 -15.404 1.00 1.87 H new ATOM 0 HG2 PRO A 58 -8.657 6.942 -16.062 1.00 1.90 H new ATOM 0 HG3 PRO A 58 -9.316 5.681 -17.084 1.00 1.90 H new ATOM 0 HD2 PRO A 58 -10.935 7.373 -15.591 1.00 1.71 H new ATOM 0 HD3 PRO A 58 -11.433 5.754 -16.037 1.00 1.71 H new ATOM 818 N ILE A 59 -7.636 5.957 -12.116 1.00 1.57 N ATOM 819 CA ILE A 59 -6.798 6.795 -11.243 1.00 1.70 C ATOM 820 C ILE A 59 -5.396 6.185 -11.246 1.00 1.68 C ATOM 821 O ILE A 59 -5.268 4.984 -11.047 1.00 2.08 O ATOM 822 CB ILE A 59 -7.391 6.886 -9.813 1.00 2.07 C ATOM 823 CG1 ILE A 59 -8.849 7.411 -9.834 1.00 2.56 C ATOM 824 CG2 ILE A 59 -6.490 7.781 -8.937 1.00 2.33 C ATOM 825 CD1 ILE A 59 -9.520 7.497 -8.457 1.00 3.72 C ATOM 0 H ILE A 59 -7.515 4.959 -11.944 1.00 1.57 H new ATOM 0 HA ILE A 59 -6.759 7.820 -11.612 1.00 1.70 H new ATOM 0 HB ILE A 59 -7.421 5.884 -9.385 1.00 2.07 H new ATOM 0 HG12 ILE A 59 -8.858 8.401 -10.290 1.00 2.56 H new ATOM 0 HG13 ILE A 59 -9.446 6.761 -10.474 1.00 2.56 H new ATOM 0 HG21 ILE A 59 -6.907 7.845 -7.932 1.00 2.33 H new ATOM 0 HG22 ILE A 59 -5.489 7.352 -8.888 1.00 2.33 H new ATOM 0 HG23 ILE A 59 -6.436 8.779 -9.371 1.00 2.33 H new ATOM 0 HD11 ILE A 59 -10.536 7.874 -8.570 1.00 3.72 H new ATOM 0 HD12 ILE A 59 -9.549 6.506 -8.004 1.00 3.72 H new ATOM 0 HD13 ILE A 59 -8.952 8.172 -7.817 1.00 3.72 H new ATOM 837 N LYS A 60 -4.362 6.988 -11.502 1.00 1.51 N ATOM 838 CA LYS A 60 -3.017 6.494 -11.875 1.00 1.64 C ATOM 839 C LYS A 60 -1.911 6.868 -10.869 1.00 1.33 C ATOM 840 O LYS A 60 -1.213 7.869 -11.040 1.00 1.46 O ATOM 841 CB LYS A 60 -2.727 6.878 -13.349 1.00 2.30 C ATOM 842 CG LYS A 60 -3.035 8.330 -13.783 1.00 3.10 C ATOM 843 CD LYS A 60 -3.061 8.462 -15.319 1.00 3.82 C ATOM 844 CE LYS A 60 -3.689 9.802 -15.744 1.00 4.61 C ATOM 845 NZ LYS A 60 -4.086 9.805 -17.174 1.00 5.22 N ATOM 0 H LYS A 60 -4.425 8.005 -11.459 1.00 1.51 H new ATOM 0 HA LYS A 60 -3.012 5.406 -11.814 1.00 1.64 H new ATOM 0 HB2 LYS A 60 -1.672 6.685 -13.546 1.00 2.30 H new ATOM 0 HB3 LYS A 60 -3.299 6.207 -13.990 1.00 2.30 H new ATOM 0 HG2 LYS A 60 -3.997 8.638 -13.373 1.00 3.10 H new ATOM 0 HG3 LYS A 60 -2.283 9.002 -13.371 1.00 3.10 H new ATOM 0 HD2 LYS A 60 -2.047 8.390 -15.712 1.00 3.82 H new ATOM 0 HD3 LYS A 60 -3.628 7.637 -15.750 1.00 3.82 H new ATOM 0 HE2 LYS A 60 -4.563 10.004 -15.125 1.00 4.61 H new ATOM 0 HE3 LYS A 60 -2.978 10.608 -15.564 1.00 4.61 H new ATOM 0 HZ1 LYS A 60 -4.504 10.726 -17.416 1.00 5.22 H new ATOM 0 HZ2 LYS A 60 -3.248 9.638 -17.767 1.00 5.22 H new ATOM 0 HZ3 LYS A 60 -4.785 9.053 -17.342 1.00 5.22 H new ATOM 859 N LEU A 61 -1.742 6.076 -9.795 1.00 1.43 N ATOM 860 CA LEU A 61 -0.804 6.319 -8.682 1.00 1.35 C ATOM 861 C LEU A 61 0.251 5.201 -8.533 1.00 1.37 C ATOM 862 O LEU A 61 0.111 4.122 -9.100 1.00 1.73 O ATOM 863 CB LEU A 61 -1.637 6.478 -7.388 1.00 1.60 C ATOM 864 CG LEU A 61 -1.942 7.923 -6.941 1.00 1.86 C ATOM 865 CD1 LEU A 61 -2.480 8.836 -8.050 1.00 2.67 C ATOM 866 CD2 LEU A 61 -2.966 7.867 -5.802 1.00 2.87 C ATOM 0 H LEU A 61 -2.276 5.215 -9.673 1.00 1.43 H new ATOM 0 HA LEU A 61 -0.237 7.227 -8.888 1.00 1.35 H new ATOM 0 HB2 LEU A 61 -2.584 5.956 -7.525 1.00 1.60 H new ATOM 0 HB3 LEU A 61 -1.109 5.974 -6.578 1.00 1.60 H new ATOM 0 HG LEU A 61 -0.993 8.360 -6.630 1.00 1.86 H new ATOM 0 HD11 LEU A 61 -2.666 9.831 -7.644 1.00 2.67 H new ATOM 0 HD12 LEU A 61 -1.747 8.903 -8.854 1.00 2.67 H new ATOM 0 HD13 LEU A 61 -3.410 8.424 -8.441 1.00 2.67 H new ATOM 0 HD21 LEU A 61 -3.197 8.879 -5.470 1.00 2.87 H new ATOM 0 HD22 LEU A 61 -3.877 7.385 -6.155 1.00 2.87 H new ATOM 0 HD23 LEU A 61 -2.553 7.297 -4.969 1.00 2.87 H new ATOM 878 N VAL A 62 1.282 5.444 -7.715 1.00 1.45 N ATOM 879 CA VAL A 62 2.339 4.443 -7.420 1.00 1.65 C ATOM 880 C VAL A 62 1.931 3.481 -6.280 1.00 1.68 C ATOM 881 O VAL A 62 2.385 2.342 -6.257 1.00 2.07 O ATOM 882 CB VAL A 62 3.693 5.136 -7.113 1.00 2.28 C ATOM 883 CG1 VAL A 62 4.818 4.155 -6.749 1.00 3.38 C ATOM 884 CG2 VAL A 62 4.160 5.968 -8.325 1.00 2.01 C ATOM 0 H VAL A 62 1.416 6.334 -7.235 1.00 1.45 H new ATOM 0 HA VAL A 62 2.464 3.836 -8.317 1.00 1.65 H new ATOM 0 HB VAL A 62 3.504 5.769 -6.246 1.00 2.28 H new ATOM 0 HG11 VAL A 62 5.734 4.710 -6.547 1.00 3.38 H new ATOM 0 HG12 VAL A 62 4.534 3.589 -5.862 1.00 3.38 H new ATOM 0 HG13 VAL A 62 4.985 3.469 -7.579 1.00 3.38 H new ATOM 0 HG21 VAL A 62 5.111 6.447 -8.093 1.00 2.01 H new ATOM 0 HG22 VAL A 62 4.284 5.315 -9.189 1.00 2.01 H new ATOM 0 HG23 VAL A 62 3.415 6.731 -8.551 1.00 2.01 H new ATOM 894 N GLY A 63 1.074 3.928 -5.352 1.00 1.75 N ATOM 895 CA GLY A 63 0.614 3.194 -4.153 1.00 1.97 C ATOM 896 C GLY A 63 1.004 3.935 -2.891 1.00 1.75 C ATOM 897 O GLY A 63 0.654 5.105 -2.779 1.00 2.08 O ATOM 0 H GLY A 63 0.659 4.857 -5.415 1.00 1.75 H new ATOM 0 HA2 GLY A 63 -0.468 3.071 -4.189 1.00 1.97 H new ATOM 0 HA3 GLY A 63 1.049 2.194 -4.143 1.00 1.97 H new ATOM 901 N ALA A 64 1.693 3.288 -1.952 1.00 1.45 N ATOM 902 CA ALA A 64 2.189 3.933 -0.736 1.00 1.30 C ATOM 903 C ALA A 64 3.604 3.463 -0.379 1.00 1.07 C ATOM 904 O ALA A 64 3.987 2.331 -0.672 1.00 1.10 O ATOM 905 CB ALA A 64 1.206 3.648 0.408 1.00 1.76 C ATOM 0 H ALA A 64 1.924 2.296 -2.013 1.00 1.45 H new ATOM 0 HA ALA A 64 2.254 5.008 -0.905 1.00 1.30 H new ATOM 0 HB1 ALA A 64 1.563 4.123 1.322 1.00 1.76 H new ATOM 0 HB2 ALA A 64 0.224 4.046 0.152 1.00 1.76 H new ATOM 0 HB3 ALA A 64 1.131 2.572 0.564 1.00 1.76 H new ATOM 911 N ALA A 65 4.348 4.334 0.302 1.00 1.06 N ATOM 912 CA ALA A 65 5.661 4.071 0.879 1.00 0.99 C ATOM 913 C ALA A 65 5.887 4.946 2.131 1.00 0.95 C ATOM 914 O ALA A 65 5.095 5.841 2.449 1.00 1.02 O ATOM 915 CB ALA A 65 6.726 4.305 -0.206 1.00 1.05 C ATOM 0 H ALA A 65 4.033 5.289 0.473 1.00 1.06 H new ATOM 0 HA ALA A 65 5.732 3.036 1.213 1.00 0.99 H new ATOM 0 HB1 ALA A 65 7.716 4.113 0.208 1.00 1.05 H new ATOM 0 HB2 ALA A 65 6.546 3.631 -1.044 1.00 1.05 H new ATOM 0 HB3 ALA A 65 6.672 5.337 -0.552 1.00 1.05 H new ATOM 921 N THR A 66 6.990 4.701 2.850 1.00 1.02 N ATOM 922 CA THR A 66 7.325 5.407 4.099 1.00 1.11 C ATOM 923 C THR A 66 8.823 5.314 4.412 1.00 1.18 C ATOM 924 O THR A 66 9.369 4.213 4.296 1.00 1.19 O ATOM 925 CB THR A 66 6.469 4.893 5.266 1.00 1.23 C ATOM 926 OG1 THR A 66 6.914 5.544 6.429 1.00 1.54 O ATOM 927 CG2 THR A 66 6.532 3.380 5.509 1.00 1.31 C ATOM 0 H THR A 66 7.682 4.002 2.581 1.00 1.02 H new ATOM 0 HA THR A 66 7.093 6.463 3.959 1.00 1.11 H new ATOM 0 HB THR A 66 5.431 5.107 5.009 1.00 1.23 H new ATOM 0 HG1 THR A 66 6.386 5.240 7.197 1.00 1.54 H new ATOM 0 HG21 THR A 66 5.893 3.120 6.353 1.00 1.31 H new ATOM 0 HG22 THR A 66 6.188 2.854 4.619 1.00 1.31 H new ATOM 0 HG23 THR A 66 7.559 3.089 5.728 1.00 1.31 H new ATOM 935 N PRO A 67 9.485 6.424 4.809 1.00 1.34 N ATOM 936 CA PRO A 67 10.873 6.414 5.253 1.00 1.44 C ATOM 937 C PRO A 67 11.018 5.917 6.698 1.00 1.42 C ATOM 938 O PRO A 67 12.139 5.844 7.201 1.00 1.58 O ATOM 939 CB PRO A 67 11.347 7.861 5.099 1.00 1.70 C ATOM 940 CG PRO A 67 10.090 8.658 5.426 1.00 1.75 C ATOM 941 CD PRO A 67 8.970 7.789 4.852 1.00 1.53 C ATOM 0 HA PRO A 67 11.476 5.723 4.664 1.00 1.44 H new ATOM 0 HB2 PRO A 67 12.164 8.095 5.781 1.00 1.70 H new ATOM 0 HB3 PRO A 67 11.706 8.065 4.090 1.00 1.70 H new ATOM 0 HG2 PRO A 67 9.975 8.807 6.500 1.00 1.75 H new ATOM 0 HG3 PRO A 67 10.109 9.647 4.967 1.00 1.75 H new ATOM 0 HD2 PRO A 67 8.077 7.847 5.474 1.00 1.53 H new ATOM 0 HD3 PRO A 67 8.688 8.129 3.856 1.00 1.53 H new ATOM 949 N LEU A 68 9.922 5.568 7.392 1.00 1.34 N ATOM 950 CA LEU A 68 9.994 4.923 8.711 1.00 1.41 C ATOM 951 C LEU A 68 10.426 3.452 8.587 1.00 1.24 C ATOM 952 O LEU A 68 10.974 2.906 9.543 1.00 1.51 O ATOM 953 CB LEU A 68 8.652 5.048 9.467 1.00 1.57 C ATOM 954 CG LEU A 68 8.405 6.418 10.138 1.00 2.04 C ATOM 955 CD1 LEU A 68 8.233 7.569 9.133 1.00 2.61 C ATOM 956 CD2 LEU A 68 7.155 6.324 11.023 1.00 2.69 C ATOM 0 H LEU A 68 8.971 5.724 7.058 1.00 1.34 H new ATOM 0 HA LEU A 68 10.753 5.444 9.294 1.00 1.41 H new ATOM 0 HB2 LEU A 68 7.839 4.851 8.768 1.00 1.57 H new ATOM 0 HB3 LEU A 68 8.610 4.273 10.232 1.00 1.57 H new ATOM 0 HG LEU A 68 9.291 6.648 10.729 1.00 2.04 H new ATOM 0 HD11 LEU A 68 8.063 8.501 9.673 1.00 2.61 H new ATOM 0 HD12 LEU A 68 9.134 7.660 8.526 1.00 2.61 H new ATOM 0 HD13 LEU A 68 7.380 7.363 8.487 1.00 2.61 H new ATOM 0 HD21 LEU A 68 6.974 7.287 11.500 1.00 2.69 H new ATOM 0 HD22 LEU A 68 6.295 6.055 10.410 1.00 2.69 H new ATOM 0 HD23 LEU A 68 7.307 5.563 11.788 1.00 2.69 H new ATOM 968 N ALA A 69 10.253 2.818 7.424 1.00 1.05 N ATOM 969 CA ALA A 69 10.886 1.535 7.154 1.00 1.12 C ATOM 970 C ALA A 69 12.354 1.773 6.753 1.00 1.11 C ATOM 971 O ALA A 69 12.640 2.626 5.905 1.00 1.31 O ATOM 972 CB ALA A 69 10.083 0.822 6.061 1.00 1.31 C ATOM 0 H ALA A 69 9.680 3.175 6.659 1.00 1.05 H new ATOM 0 HA ALA A 69 10.892 0.896 8.037 1.00 1.12 H new ATOM 0 HB1 ALA A 69 10.541 -0.143 5.844 1.00 1.31 H new ATOM 0 HB2 ALA A 69 9.059 0.669 6.403 1.00 1.31 H new ATOM 0 HB3 ALA A 69 10.076 1.432 5.158 1.00 1.31 H new ATOM 978 N THR A 70 13.285 1.001 7.321 1.00 1.10 N ATOM 979 CA THR A 70 14.700 0.985 6.904 1.00 1.21 C ATOM 980 C THR A 70 14.836 0.294 5.551 1.00 1.22 C ATOM 981 O THR A 70 15.805 0.511 4.832 1.00 1.53 O ATOM 982 CB THR A 70 15.606 0.362 7.974 1.00 1.34 C ATOM 983 OG1 THR A 70 15.317 1.000 9.192 1.00 1.64 O ATOM 984 CG2 THR A 70 17.095 0.595 7.714 1.00 1.58 C ATOM 0 H THR A 70 13.081 0.362 8.090 1.00 1.10 H new ATOM 0 HA THR A 70 15.039 2.015 6.791 1.00 1.21 H new ATOM 0 HB THR A 70 15.418 -0.712 7.975 1.00 1.34 H new ATOM 0 HG1 THR A 70 14.426 0.731 9.499 1.00 1.64 H new ATOM 0 HG21 THR A 70 17.680 0.129 8.507 1.00 1.58 H new ATOM 0 HG22 THR A 70 17.370 0.156 6.755 1.00 1.58 H new ATOM 0 HG23 THR A 70 17.298 1.666 7.695 1.00 1.58 H new ATOM 992 N SER A 71 13.841 -0.482 5.132 1.00 1.00 N ATOM 993 CA SER A 71 13.638 -0.851 3.724 1.00 0.98 C ATOM 994 C SER A 71 12.141 -1.082 3.421 1.00 0.94 C ATOM 995 O SER A 71 11.620 -2.157 3.735 1.00 1.03 O ATOM 996 CB SER A 71 14.482 -2.092 3.386 1.00 1.09 C ATOM 997 OG SER A 71 15.872 -1.768 3.408 1.00 1.68 O ATOM 0 H SER A 71 13.143 -0.879 5.761 1.00 1.00 H new ATOM 0 HA SER A 71 13.968 -0.027 3.091 1.00 0.98 H new ATOM 0 HB2 SER A 71 14.276 -2.887 4.103 1.00 1.09 H new ATOM 0 HB3 SER A 71 14.206 -2.471 2.402 1.00 1.09 H new ATOM 0 HG SER A 71 15.986 -0.836 3.687 1.00 1.68 H new ATOM 1003 N PRO A 72 11.424 -0.097 2.835 1.00 0.87 N ATOM 1004 CA PRO A 72 10.074 -0.307 2.327 1.00 0.82 C ATOM 1005 C PRO A 72 10.169 -1.144 1.047 1.00 0.79 C ATOM 1006 O PRO A 72 10.851 -0.759 0.097 1.00 0.94 O ATOM 1007 CB PRO A 72 9.496 1.089 2.086 1.00 0.90 C ATOM 1008 CG PRO A 72 10.729 1.940 1.782 1.00 0.97 C ATOM 1009 CD PRO A 72 11.843 1.282 2.596 1.00 0.95 C ATOM 0 HA PRO A 72 9.424 -0.850 3.013 1.00 0.82 H new ATOM 0 HB2 PRO A 72 8.791 1.093 1.255 1.00 0.90 H new ATOM 0 HB3 PRO A 72 8.960 1.458 2.961 1.00 0.90 H new ATOM 0 HG2 PRO A 72 10.960 1.941 0.717 1.00 0.97 H new ATOM 0 HG3 PRO A 72 10.580 2.979 2.077 1.00 0.97 H new ATOM 0 HD2 PRO A 72 12.788 1.312 2.054 1.00 0.95 H new ATOM 0 HD3 PRO A 72 11.998 1.809 3.537 1.00 0.95 H new ATOM 1017 N MET A 73 9.500 -2.299 1.048 1.00 0.78 N ATOM 1018 CA MET A 73 9.690 -3.395 0.093 1.00 0.81 C ATOM 1019 C MET A 73 8.371 -3.725 -0.617 1.00 0.84 C ATOM 1020 O MET A 73 7.392 -4.052 0.049 1.00 0.96 O ATOM 1021 CB MET A 73 10.201 -4.579 0.928 1.00 0.88 C ATOM 1022 CG MET A 73 10.610 -5.803 0.105 1.00 1.09 C ATOM 1023 SD MET A 73 11.942 -5.503 -1.080 1.00 2.33 S ATOM 1024 CE MET A 73 12.174 -7.195 -1.677 1.00 2.74 C ATOM 0 H MET A 73 8.782 -2.505 1.742 1.00 0.78 H new ATOM 0 HA MET A 73 10.398 -3.138 -0.695 1.00 0.81 H new ATOM 0 HB2 MET A 73 11.057 -4.250 1.517 1.00 0.88 H new ATOM 0 HB3 MET A 73 9.423 -4.873 1.633 1.00 0.88 H new ATOM 0 HG2 MET A 73 10.919 -6.596 0.786 1.00 1.09 H new ATOM 0 HG3 MET A 73 9.737 -6.170 -0.435 1.00 1.09 H new ATOM 0 HE1 MET A 73 12.966 -7.211 -2.425 1.00 2.74 H new ATOM 0 HE2 MET A 73 12.449 -7.841 -0.843 1.00 2.74 H new ATOM 0 HE3 MET A 73 11.246 -7.554 -2.123 1.00 2.74 H new ATOM 1034 N LEU A 74 8.311 -3.616 -1.953 1.00 0.97 N ATOM 1035 CA LEU A 74 7.047 -3.516 -2.702 1.00 1.03 C ATOM 1036 C LEU A 74 7.009 -4.479 -3.918 1.00 1.24 C ATOM 1037 O LEU A 74 7.784 -4.330 -4.869 1.00 1.41 O ATOM 1038 CB LEU A 74 6.818 -2.041 -3.122 1.00 1.07 C ATOM 1039 CG LEU A 74 7.070 -0.941 -2.062 1.00 1.63 C ATOM 1040 CD1 LEU A 74 8.496 -0.372 -2.147 1.00 1.86 C ATOM 1041 CD2 LEU A 74 6.086 0.224 -2.255 1.00 2.95 C ATOM 0 H LEU A 74 9.140 -3.595 -2.547 1.00 0.97 H new ATOM 0 HA LEU A 74 6.230 -3.829 -2.052 1.00 1.03 H new ATOM 0 HB2 LEU A 74 7.459 -1.833 -3.979 1.00 1.07 H new ATOM 0 HB3 LEU A 74 5.787 -1.946 -3.464 1.00 1.07 H new ATOM 0 HG LEU A 74 6.930 -1.411 -1.088 1.00 1.63 H new ATOM 0 HD11 LEU A 74 8.627 0.396 -1.385 1.00 1.86 H new ATOM 0 HD12 LEU A 74 9.217 -1.172 -1.983 1.00 1.86 H new ATOM 0 HD13 LEU A 74 8.656 0.064 -3.133 1.00 1.86 H new ATOM 0 HD21 LEU A 74 6.276 0.989 -1.502 1.00 2.95 H new ATOM 0 HD22 LEU A 74 6.219 0.652 -3.249 1.00 2.95 H new ATOM 0 HD23 LEU A 74 5.064 -0.142 -2.151 1.00 2.95 H new ATOM 1053 N MET A 75 6.080 -5.444 -3.931 1.00 1.44 N ATOM 1054 CA MET A 75 6.109 -6.589 -4.872 1.00 1.77 C ATOM 1055 C MET A 75 4.724 -7.238 -5.083 1.00 1.77 C ATOM 1056 O MET A 75 3.839 -7.118 -4.236 1.00 1.90 O ATOM 1057 CB MET A 75 7.154 -7.609 -4.361 1.00 2.20 C ATOM 1058 CG MET A 75 7.521 -8.692 -5.383 1.00 3.47 C ATOM 1059 SD MET A 75 8.856 -9.799 -4.877 1.00 3.88 S ATOM 1060 CE MET A 75 8.858 -10.862 -6.345 1.00 5.81 C ATOM 0 H MET A 75 5.285 -5.460 -3.293 1.00 1.44 H new ATOM 0 HA MET A 75 6.396 -6.223 -5.858 1.00 1.77 H new ATOM 0 HB2 MET A 75 8.059 -7.073 -4.074 1.00 2.20 H new ATOM 0 HB3 MET A 75 6.768 -8.089 -3.461 1.00 2.20 H new ATOM 0 HG2 MET A 75 6.633 -9.289 -5.591 1.00 3.47 H new ATOM 0 HG3 MET A 75 7.806 -8.207 -6.317 1.00 3.47 H new ATOM 0 HE1 MET A 75 9.624 -11.630 -6.237 1.00 5.81 H new ATOM 0 HE2 MET A 75 7.882 -11.336 -6.452 1.00 5.81 H new ATOM 0 HE3 MET A 75 9.069 -10.261 -7.229 1.00 5.81 H new ATOM 1070 N THR A 76 4.528 -7.950 -6.202 1.00 1.87 N ATOM 1071 CA THR A 76 3.306 -8.709 -6.512 1.00 1.94 C ATOM 1072 C THR A 76 3.627 -10.000 -7.281 1.00 2.13 C ATOM 1073 O THR A 76 4.725 -10.134 -7.836 1.00 2.40 O ATOM 1074 CB THR A 76 2.286 -7.809 -7.233 1.00 2.20 C ATOM 1075 OG1 THR A 76 1.162 -8.563 -7.590 1.00 2.72 O ATOM 1076 CG2 THR A 76 2.821 -7.175 -8.521 1.00 2.98 C ATOM 0 H THR A 76 5.233 -8.016 -6.936 1.00 1.87 H new ATOM 0 HA THR A 76 2.842 -9.029 -5.579 1.00 1.94 H new ATOM 0 HB THR A 76 2.051 -7.012 -6.528 1.00 2.20 H new ATOM 0 HG1 THR A 76 0.525 -7.993 -8.070 1.00 2.72 H new ATOM 0 HG21 THR A 76 2.045 -6.556 -8.971 1.00 2.98 H new ATOM 0 HG22 THR A 76 3.689 -6.558 -8.289 1.00 2.98 H new ATOM 0 HG23 THR A 76 3.110 -7.960 -9.220 1.00 2.98 H new ATOM 1084 N THR A 77 2.708 -10.971 -7.228 1.00 2.12 N ATOM 1085 CA THR A 77 2.802 -12.303 -7.824 1.00 2.37 C ATOM 1086 C THR A 77 1.947 -12.368 -9.101 1.00 2.76 C ATOM 1087 O THR A 77 1.856 -11.410 -9.867 1.00 3.68 O ATOM 1088 CB THR A 77 2.427 -13.346 -6.759 1.00 2.13 C ATOM 1089 OG1 THR A 77 1.148 -13.107 -6.220 1.00 2.62 O ATOM 1090 CG2 THR A 77 3.419 -13.347 -5.597 1.00 2.89 C ATOM 0 H THR A 77 1.825 -10.836 -6.736 1.00 2.12 H new ATOM 0 HA THR A 77 3.820 -12.527 -8.142 1.00 2.37 H new ATOM 0 HB THR A 77 2.444 -14.308 -7.270 1.00 2.13 H new ATOM 0 HG1 THR A 77 0.465 -13.346 -6.881 1.00 2.62 H new ATOM 0 HG21 THR A 77 3.121 -14.097 -4.865 1.00 2.89 H new ATOM 0 HG22 THR A 77 4.416 -13.581 -5.970 1.00 2.89 H new ATOM 0 HG23 THR A 77 3.429 -12.364 -5.126 1.00 2.89 H new ATOM 1098 N THR A 78 1.339 -13.518 -9.378 1.00 2.88 N ATOM 1099 CA THR A 78 0.082 -13.615 -10.112 1.00 2.79 C ATOM 1100 C THR A 78 -1.066 -13.396 -9.124 1.00 2.47 C ATOM 1101 O THR A 78 -0.906 -13.734 -7.955 1.00 3.80 O ATOM 1102 CB THR A 78 -0.006 -14.985 -10.800 1.00 4.63 C ATOM 1103 OG1 THR A 78 0.277 -16.017 -9.882 1.00 5.52 O ATOM 1104 CG2 THR A 78 1.038 -15.092 -11.921 1.00 6.00 C ATOM 0 H THR A 78 1.713 -14.424 -9.094 1.00 2.88 H new ATOM 0 HA THR A 78 0.022 -12.856 -10.892 1.00 2.79 H new ATOM 0 HB THR A 78 -1.016 -15.083 -11.198 1.00 4.63 H new ATOM 0 HG1 THR A 78 0.215 -16.884 -10.335 1.00 5.52 H new ATOM 0 HG21 THR A 78 0.961 -16.069 -12.398 1.00 6.00 H new ATOM 0 HG22 THR A 78 0.858 -14.312 -12.661 1.00 6.00 H new ATOM 0 HG23 THR A 78 2.037 -14.971 -11.501 1.00 6.00 H new ATOM 1112 N HIS A 79 -2.178 -12.822 -9.607 1.00 2.09 N ATOM 1113 CA HIS A 79 -3.500 -12.639 -8.959 1.00 3.05 C ATOM 1114 C HIS A 79 -3.797 -11.162 -8.589 1.00 3.51 C ATOM 1115 O HIS A 79 -3.755 -10.775 -7.431 1.00 4.93 O ATOM 1116 CB HIS A 79 -3.727 -13.629 -7.795 1.00 4.42 C ATOM 1117 CG HIS A 79 -5.158 -13.959 -7.454 1.00 4.91 C ATOM 1118 ND1 HIS A 79 -5.614 -15.219 -7.141 1.00 5.75 N ATOM 1119 CD2 HIS A 79 -6.221 -13.106 -7.330 1.00 5.59 C ATOM 1120 CE1 HIS A 79 -6.922 -15.134 -6.857 1.00 6.44 C ATOM 1121 NE2 HIS A 79 -7.342 -13.866 -6.967 1.00 6.54 N ATOM 0 H HIS A 79 -2.182 -12.435 -10.551 1.00 2.09 H new ATOM 0 HA HIS A 79 -4.248 -12.893 -9.710 1.00 3.05 H new ATOM 0 HB2 HIS A 79 -3.211 -14.559 -8.034 1.00 4.42 H new ATOM 0 HB3 HIS A 79 -3.251 -13.221 -6.904 1.00 4.42 H new ATOM 0 HD2 HIS A 79 -6.200 -12.037 -7.484 1.00 5.59 H new ATOM 0 HE1 HIS A 79 -7.548 -15.969 -6.579 1.00 6.44 H new ATOM 0 HE2 HIS A 79 -8.290 -13.522 -6.816 1.00 6.54 H new ATOM 1129 N SER A 80 -4.157 -10.321 -9.563 1.00 2.84 N ATOM 1130 CA SER A 80 -4.760 -8.994 -9.317 1.00 3.56 C ATOM 1131 C SER A 80 -6.219 -8.968 -9.836 1.00 3.43 C ATOM 1132 O SER A 80 -6.744 -10.004 -10.250 1.00 3.78 O ATOM 1133 CB SER A 80 -3.931 -7.891 -9.996 1.00 3.89 C ATOM 1134 OG SER A 80 -2.546 -7.981 -9.727 1.00 5.50 O ATOM 0 H SER A 80 -4.040 -10.537 -10.553 1.00 2.84 H new ATOM 0 HA SER A 80 -4.766 -8.808 -8.243 1.00 3.56 H new ATOM 0 HB2 SER A 80 -4.088 -7.941 -11.074 1.00 3.89 H new ATOM 0 HB3 SER A 80 -4.295 -6.918 -9.665 1.00 3.89 H new ATOM 0 HG SER A 80 -2.385 -7.805 -8.776 1.00 5.50 H new ATOM 1140 N GLY A 81 -6.900 -7.808 -9.881 1.00 3.63 N ATOM 1141 CA GLY A 81 -8.328 -7.707 -10.222 1.00 4.05 C ATOM 1142 C GLY A 81 -8.633 -7.825 -11.715 1.00 3.71 C ATOM 1143 O GLY A 81 -9.177 -6.887 -12.296 1.00 4.19 O ATOM 0 H GLY A 81 -6.468 -6.906 -9.679 1.00 3.63 H new ATOM 0 HA2 GLY A 81 -8.872 -8.488 -9.690 1.00 4.05 H new ATOM 0 HA3 GLY A 81 -8.708 -6.751 -9.861 1.00 4.05 H new ATOM 1147 N GLY A 82 -8.282 -8.967 -12.319 1.00 3.65 N ATOM 1148 CA GLY A 82 -8.377 -9.251 -13.758 1.00 3.89 C ATOM 1149 C GLY A 82 -7.009 -9.290 -14.454 1.00 3.56 C ATOM 1150 O GLY A 82 -6.943 -9.164 -15.677 1.00 3.87 O ATOM 0 H GLY A 82 -7.906 -9.756 -11.793 1.00 3.65 H new ATOM 0 HA2 GLY A 82 -8.879 -10.208 -13.901 1.00 3.89 H new ATOM 0 HA3 GLY A 82 -8.998 -8.491 -14.232 1.00 3.89 H new ATOM 1154 N MET A 83 -5.921 -9.470 -13.698 1.00 3.15 N ATOM 1155 CA MET A 83 -4.548 -9.481 -14.222 1.00 2.95 C ATOM 1156 C MET A 83 -3.639 -10.403 -13.389 1.00 2.69 C ATOM 1157 O MET A 83 -4.032 -10.877 -12.319 1.00 2.98 O ATOM 1158 CB MET A 83 -4.011 -8.036 -14.271 1.00 2.76 C ATOM 1159 CG MET A 83 -3.108 -7.775 -15.486 1.00 3.35 C ATOM 1160 SD MET A 83 -2.357 -6.124 -15.502 1.00 3.59 S ATOM 1161 CE MET A 83 -0.993 -6.416 -14.339 1.00 4.49 C ATOM 0 H MET A 83 -5.968 -9.614 -12.689 1.00 3.15 H new ATOM 0 HA MET A 83 -4.553 -9.885 -15.234 1.00 2.95 H new ATOM 0 HB2 MET A 83 -4.851 -7.342 -14.293 1.00 2.76 H new ATOM 0 HB3 MET A 83 -3.452 -7.830 -13.358 1.00 2.76 H new ATOM 0 HG2 MET A 83 -2.316 -8.524 -15.505 1.00 3.35 H new ATOM 0 HG3 MET A 83 -3.693 -7.906 -16.396 1.00 3.35 H new ATOM 0 HE1 MET A 83 -0.413 -5.501 -14.221 1.00 4.49 H new ATOM 0 HE2 MET A 83 -1.397 -6.717 -13.372 1.00 4.49 H new ATOM 0 HE3 MET A 83 -0.349 -7.206 -14.725 1.00 4.49 H new ATOM 1171 N ALA A 84 -2.420 -10.657 -13.872 1.00 2.35 N ATOM 1172 CA ALA A 84 -1.397 -11.476 -13.218 1.00 2.15 C ATOM 1173 C ALA A 84 -0.012 -11.275 -13.869 1.00 2.27 C ATOM 1174 O ALA A 84 0.050 -11.040 -15.077 1.00 2.82 O ATOM 1175 CB ALA A 84 -1.847 -12.944 -13.306 1.00 2.62 C ATOM 0 H ALA A 84 -2.106 -10.282 -14.767 1.00 2.35 H new ATOM 0 HA ALA A 84 -1.291 -11.177 -12.175 1.00 2.15 H new ATOM 0 HB1 ALA A 84 -1.104 -13.582 -12.827 1.00 2.62 H new ATOM 0 HB2 ALA A 84 -2.806 -13.061 -12.801 1.00 2.62 H new ATOM 0 HB3 ALA A 84 -1.950 -13.231 -14.353 1.00 2.62 H new ATOM 1181 N GLY A 85 1.081 -11.410 -13.103 1.00 2.14 N ATOM 1182 CA GLY A 85 2.443 -11.306 -13.641 1.00 2.65 C ATOM 1183 C GLY A 85 3.458 -10.883 -12.590 1.00 2.21 C ATOM 1184 O GLY A 85 3.634 -9.697 -12.341 1.00 3.00 O ATOM 0 H GLY A 85 1.045 -11.593 -12.100 1.00 2.14 H new ATOM 0 HA2 GLY A 85 2.739 -12.268 -14.059 1.00 2.65 H new ATOM 0 HA3 GLY A 85 2.452 -10.586 -14.460 1.00 2.65 H new ATOM 1188 N MET A 86 4.122 -11.871 -11.981 1.00 2.36 N ATOM 1189 CA MET A 86 4.992 -11.666 -10.815 1.00 1.96 C ATOM 1190 C MET A 86 6.172 -10.739 -11.119 1.00 2.35 C ATOM 1191 O MET A 86 6.960 -11.028 -12.027 1.00 3.33 O ATOM 1192 CB MET A 86 5.483 -13.031 -10.305 1.00 2.74 C ATOM 1193 CG MET A 86 6.418 -12.889 -9.098 1.00 3.53 C ATOM 1194 SD MET A 86 6.817 -14.427 -8.236 1.00 4.80 S ATOM 1195 CE MET A 86 7.938 -15.194 -9.431 1.00 5.26 C ATOM 0 H MET A 86 4.071 -12.843 -12.285 1.00 2.36 H new ATOM 0 HA MET A 86 4.408 -11.171 -10.040 1.00 1.96 H new ATOM 0 HB2 MET A 86 4.626 -13.645 -10.030 1.00 2.74 H new ATOM 0 HB3 MET A 86 6.004 -13.552 -11.108 1.00 2.74 H new ATOM 0 HG2 MET A 86 7.348 -12.429 -9.433 1.00 3.53 H new ATOM 0 HG3 MET A 86 5.961 -12.202 -8.386 1.00 3.53 H new ATOM 0 HE1 MET A 86 8.276 -16.157 -9.047 1.00 5.26 H new ATOM 0 HE2 MET A 86 7.416 -15.343 -10.376 1.00 5.26 H new ATOM 0 HE3 MET A 86 8.799 -14.545 -9.591 1.00 5.26 H new ATOM 1205 N LYS A 87 6.321 -9.678 -10.312 1.00 2.27 N ATOM 1206 CA LYS A 87 7.328 -8.615 -10.458 1.00 3.18 C ATOM 1207 C LYS A 87 7.423 -7.701 -9.210 1.00 1.85 C ATOM 1208 O LYS A 87 6.591 -7.741 -8.300 1.00 2.14 O ATOM 1209 CB LYS A 87 7.051 -7.828 -11.766 1.00 5.27 C ATOM 1210 CG LYS A 87 8.319 -7.204 -12.373 1.00 6.55 C ATOM 1211 CD LYS A 87 8.116 -6.795 -13.838 1.00 8.43 C ATOM 1212 CE LYS A 87 9.428 -6.207 -14.373 1.00 9.89 C ATOM 1213 NZ LYS A 87 9.377 -5.897 -15.821 1.00 11.76 N ATOM 0 H LYS A 87 5.716 -9.530 -9.504 1.00 2.27 H new ATOM 0 HA LYS A 87 8.313 -9.075 -10.533 1.00 3.18 H new ATOM 0 HB2 LYS A 87 6.597 -8.497 -12.497 1.00 5.27 H new ATOM 0 HB3 LYS A 87 6.327 -7.039 -11.562 1.00 5.27 H new ATOM 0 HG2 LYS A 87 8.607 -6.330 -11.790 1.00 6.55 H new ATOM 0 HG3 LYS A 87 9.141 -7.917 -12.307 1.00 6.55 H new ATOM 0 HD2 LYS A 87 7.819 -7.658 -14.433 1.00 8.43 H new ATOM 0 HD3 LYS A 87 7.314 -6.062 -13.917 1.00 8.43 H new ATOM 0 HE2 LYS A 87 9.664 -5.297 -13.821 1.00 9.89 H new ATOM 0 HE3 LYS A 87 10.238 -6.912 -14.187 1.00 9.89 H new ATOM 0 HZ1 LYS A 87 10.291 -5.503 -16.124 1.00 11.76 H new ATOM 0 HZ2 LYS A 87 9.180 -6.767 -16.356 1.00 11.76 H new ATOM 0 HZ3 LYS A 87 8.624 -5.203 -16.001 1.00 11.76 H new ATOM 1227 N MET A 88 8.468 -6.867 -9.159 1.00 2.26 N ATOM 1228 CA MET A 88 8.617 -5.752 -8.210 1.00 1.85 C ATOM 1229 C MET A 88 7.779 -4.547 -8.674 1.00 1.86 C ATOM 1230 O MET A 88 7.582 -4.376 -9.872 1.00 2.85 O ATOM 1231 CB MET A 88 10.092 -5.346 -8.065 1.00 2.90 C ATOM 1232 CG MET A 88 10.992 -6.495 -7.592 1.00 3.24 C ATOM 1233 SD MET A 88 12.667 -5.928 -7.210 1.00 4.87 S ATOM 1234 CE MET A 88 13.502 -7.520 -7.041 1.00 5.79 C ATOM 0 H MET A 88 9.260 -6.950 -9.797 1.00 2.26 H new ATOM 0 HA MET A 88 8.258 -6.083 -7.236 1.00 1.85 H new ATOM 0 HB2 MET A 88 10.457 -4.979 -9.024 1.00 2.90 H new ATOM 0 HB3 MET A 88 10.167 -4.520 -7.358 1.00 2.90 H new ATOM 0 HG2 MET A 88 10.555 -6.958 -6.707 1.00 3.24 H new ATOM 0 HG3 MET A 88 11.036 -7.263 -8.364 1.00 3.24 H new ATOM 0 HE1 MET A 88 14.553 -7.356 -6.803 1.00 5.79 H new ATOM 0 HE2 MET A 88 13.034 -8.093 -6.241 1.00 5.79 H new ATOM 0 HE3 MET A 88 13.424 -8.073 -7.977 1.00 5.79 H new ATOM 1244 N VAL A 89 7.303 -3.738 -7.725 1.00 1.46 N ATOM 1245 CA VAL A 89 6.324 -2.638 -7.896 1.00 1.32 C ATOM 1246 C VAL A 89 4.890 -3.215 -7.947 1.00 1.17 C ATOM 1247 O VAL A 89 4.507 -3.793 -8.962 1.00 1.44 O ATOM 1248 CB VAL A 89 6.561 -1.694 -9.112 1.00 1.65 C ATOM 1249 CG1 VAL A 89 5.560 -0.520 -9.087 1.00 2.73 C ATOM 1250 CG2 VAL A 89 7.984 -1.101 -9.088 1.00 2.35 C ATOM 0 H VAL A 89 7.603 -3.831 -6.754 1.00 1.46 H new ATOM 0 HA VAL A 89 6.467 -2.002 -7.023 1.00 1.32 H new ATOM 0 HB VAL A 89 6.426 -2.292 -10.013 1.00 1.65 H new ATOM 0 HG11 VAL A 89 5.740 0.130 -9.944 1.00 2.73 H new ATOM 0 HG12 VAL A 89 4.543 -0.908 -9.133 1.00 2.73 H new ATOM 0 HG13 VAL A 89 5.690 0.049 -8.166 1.00 2.73 H new ATOM 0 HG21 VAL A 89 8.120 -0.446 -9.949 1.00 2.35 H new ATOM 0 HG22 VAL A 89 8.124 -0.529 -8.171 1.00 2.35 H new ATOM 0 HG23 VAL A 89 8.715 -1.908 -9.127 1.00 2.35 H new ATOM 1260 N PRO A 90 4.086 -3.059 -6.874 1.00 1.22 N ATOM 1261 CA PRO A 90 2.710 -3.543 -6.763 1.00 1.62 C ATOM 1262 C PRO A 90 1.654 -2.493 -7.153 1.00 1.83 C ATOM 1263 O PRO A 90 0.471 -2.743 -6.963 1.00 3.45 O ATOM 1264 CB PRO A 90 2.568 -3.883 -5.286 1.00 2.37 C ATOM 1265 CG PRO A 90 3.367 -2.780 -4.604 1.00 2.11 C ATOM 1266 CD PRO A 90 4.504 -2.525 -5.591 1.00 1.35 C ATOM 0 HA PRO A 90 2.539 -4.379 -7.442 1.00 1.62 H new ATOM 0 HB2 PRO A 90 1.525 -3.881 -4.970 1.00 2.37 H new ATOM 0 HB3 PRO A 90 2.968 -4.871 -5.059 1.00 2.37 H new ATOM 0 HG2 PRO A 90 2.765 -1.886 -4.441 1.00 2.11 H new ATOM 0 HG3 PRO A 90 3.740 -3.095 -3.630 1.00 2.11 H new ATOM 0 HD2 PRO A 90 4.714 -1.458 -5.668 1.00 1.35 H new ATOM 0 HD3 PRO A 90 5.422 -3.007 -5.254 1.00 1.35 H new ATOM 1274 N TRP A 91 2.095 -1.328 -7.646 1.00 1.54 N ATOM 1275 CA TRP A 91 1.329 -0.258 -8.317 1.00 1.74 C ATOM 1276 C TRP A 91 0.131 0.349 -7.544 1.00 2.23 C ATOM 1277 O TRP A 91 -0.206 -0.026 -6.423 1.00 2.85 O ATOM 1278 CB TRP A 91 0.960 -0.705 -9.755 1.00 1.85 C ATOM 1279 CG TRP A 91 0.246 -2.016 -9.934 1.00 1.91 C ATOM 1280 CD1 TRP A 91 -0.926 -2.383 -9.363 1.00 1.81 C ATOM 1281 CD2 TRP A 91 0.736 -3.218 -10.622 1.00 2.55 C ATOM 1282 NE1 TRP A 91 -1.156 -3.725 -9.586 1.00 2.16 N ATOM 1283 CE2 TRP A 91 -0.181 -4.279 -10.373 1.00 2.73 C ATOM 1284 CE3 TRP A 91 1.896 -3.541 -11.357 1.00 3.22 C ATOM 1285 CZ2 TRP A 91 0.032 -5.589 -10.824 1.00 3.56 C ATOM 1286 CZ3 TRP A 91 2.129 -4.856 -11.815 1.00 4.08 C ATOM 1287 CH2 TRP A 91 1.196 -5.878 -11.554 1.00 4.25 C ATOM 0 H TRP A 91 3.083 -1.084 -7.582 1.00 1.54 H new ATOM 0 HA TRP A 91 2.006 0.596 -8.352 1.00 1.74 H new ATOM 0 HB2 TRP A 91 0.339 0.075 -10.196 1.00 1.85 H new ATOM 0 HB3 TRP A 91 1.881 -0.746 -10.337 1.00 1.85 H new ATOM 0 HD1 TRP A 91 -1.583 -1.724 -8.815 1.00 1.81 H new ATOM 0 HE1 TRP A 91 -1.953 -4.240 -9.212 1.00 2.16 H new ATOM 0 HE3 TRP A 91 2.619 -2.768 -11.573 1.00 3.22 H new ATOM 0 HZ2 TRP A 91 -0.689 -6.365 -10.613 1.00 3.56 H new ATOM 0 HZ3 TRP A 91 3.029 -5.080 -12.369 1.00 4.08 H new ATOM 0 HH2 TRP A 91 1.375 -6.880 -11.914 1.00 4.25 H new ATOM 1298 N LEU A 92 -0.549 1.318 -8.177 1.00 2.36 N ATOM 1299 CA LEU A 92 -1.866 1.834 -7.800 1.00 3.13 C ATOM 1300 C LEU A 92 -2.551 2.580 -8.964 1.00 2.61 C ATOM 1301 O LEU A 92 -3.233 3.587 -8.756 1.00 3.33 O ATOM 1302 CB LEU A 92 -1.772 2.674 -6.516 1.00 4.64 C ATOM 1303 CG LEU A 92 -3.066 2.647 -5.687 1.00 5.64 C ATOM 1304 CD1 LEU A 92 -3.018 1.519 -4.641 1.00 7.02 C ATOM 1305 CD2 LEU A 92 -3.286 3.987 -4.970 1.00 6.85 C ATOM 0 H LEU A 92 -0.174 1.782 -9.004 1.00 2.36 H new ATOM 0 HA LEU A 92 -2.513 0.985 -7.579 1.00 3.13 H new ATOM 0 HB2 LEU A 92 -0.948 2.305 -5.906 1.00 4.64 H new ATOM 0 HB3 LEU A 92 -1.537 3.705 -6.779 1.00 4.64 H new ATOM 0 HG LEU A 92 -3.893 2.469 -6.375 1.00 5.64 H new ATOM 0 HD11 LEU A 92 -3.943 1.517 -4.065 1.00 7.02 H new ATOM 0 HD12 LEU A 92 -2.903 0.560 -5.145 1.00 7.02 H new ATOM 0 HD13 LEU A 92 -2.174 1.680 -3.971 1.00 7.02 H new ATOM 0 HD21 LEU A 92 -4.208 3.942 -4.390 1.00 6.85 H new ATOM 0 HD22 LEU A 92 -2.447 4.185 -4.303 1.00 6.85 H new ATOM 0 HD23 LEU A 92 -3.359 4.786 -5.707 1.00 6.85 H new ATOM 1317 N THR A 93 -2.335 2.124 -10.207 1.00 2.04 N ATOM 1318 CA THR A 93 -3.125 2.567 -11.362 1.00 2.17 C ATOM 1319 C THR A 93 -4.319 1.642 -11.497 1.00 1.86 C ATOM 1320 O THR A 93 -4.144 0.466 -11.790 1.00 2.14 O ATOM 1321 CB THR A 93 -2.289 2.638 -12.647 1.00 3.15 C ATOM 1322 OG1 THR A 93 -1.348 3.677 -12.502 1.00 3.87 O ATOM 1323 CG2 THR A 93 -3.140 2.966 -13.878 1.00 3.90 C ATOM 0 H THR A 93 -1.612 1.442 -10.437 1.00 2.04 H new ATOM 0 HA THR A 93 -3.473 3.587 -11.198 1.00 2.17 H new ATOM 0 HB THR A 93 -1.823 1.664 -12.794 1.00 3.15 H new ATOM 0 HG1 THR A 93 -0.801 3.739 -13.313 1.00 3.87 H new ATOM 0 HG21 THR A 93 -2.502 3.005 -14.761 1.00 3.90 H new ATOM 0 HG22 THR A 93 -3.899 2.195 -14.012 1.00 3.90 H new ATOM 0 HG23 THR A 93 -3.625 3.932 -13.738 1.00 3.90 H new ATOM 1331 N ILE A 94 -5.543 2.136 -11.284 1.00 1.79 N ATOM 1332 CA ILE A 94 -6.754 1.328 -11.500 1.00 1.68 C ATOM 1333 C ILE A 94 -7.202 1.388 -12.975 1.00 1.39 C ATOM 1334 O ILE A 94 -7.452 2.488 -13.475 1.00 1.70 O ATOM 1335 CB ILE A 94 -7.861 1.675 -10.476 1.00 2.28 C ATOM 1336 CG1 ILE A 94 -8.994 0.625 -10.532 1.00 3.28 C ATOM 1337 CG2 ILE A 94 -8.414 3.102 -10.574 1.00 3.08 C ATOM 1338 CD1 ILE A 94 -9.827 0.552 -9.249 1.00 4.59 C ATOM 0 H ILE A 94 -5.724 3.087 -10.963 1.00 1.79 H new ATOM 0 HA ILE A 94 -6.518 0.281 -11.310 1.00 1.68 H new ATOM 0 HB ILE A 94 -7.377 1.640 -9.500 1.00 2.28 H new ATOM 0 HG12 ILE A 94 -9.652 0.857 -11.370 1.00 3.28 H new ATOM 0 HG13 ILE A 94 -8.560 -0.355 -10.730 1.00 3.28 H new ATOM 0 HG21 ILE A 94 -9.183 3.247 -9.816 1.00 3.08 H new ATOM 0 HG22 ILE A 94 -7.607 3.817 -10.413 1.00 3.08 H new ATOM 0 HG23 ILE A 94 -8.845 3.258 -11.563 1.00 3.08 H new ATOM 0 HD11 ILE A 94 -10.602 -0.206 -9.361 1.00 4.59 H new ATOM 0 HD12 ILE A 94 -9.182 0.289 -8.411 1.00 4.59 H new ATOM 0 HD13 ILE A 94 -10.291 1.520 -9.061 1.00 4.59 H new ATOM 1350 N PRO A 95 -7.321 0.241 -13.686 1.00 1.48 N ATOM 1351 CA PRO A 95 -7.626 0.187 -15.123 1.00 1.87 C ATOM 1352 C PRO A 95 -9.134 0.352 -15.410 1.00 1.61 C ATOM 1353 O PRO A 95 -9.747 -0.485 -16.075 1.00 2.22 O ATOM 1354 CB PRO A 95 -7.045 -1.157 -15.589 1.00 2.61 C ATOM 1355 CG PRO A 95 -7.226 -2.056 -14.373 1.00 2.53 C ATOM 1356 CD PRO A 95 -6.963 -1.098 -13.217 1.00 1.98 C ATOM 0 HA PRO A 95 -7.183 1.015 -15.676 1.00 1.87 H new ATOM 0 HB2 PRO A 95 -7.575 -1.545 -16.459 1.00 2.61 H new ATOM 0 HB3 PRO A 95 -5.996 -1.066 -15.870 1.00 2.61 H new ATOM 0 HG2 PRO A 95 -8.228 -2.482 -14.328 1.00 2.53 H new ATOM 0 HG3 PRO A 95 -6.525 -2.891 -14.377 1.00 2.53 H new ATOM 0 HD2 PRO A 95 -7.556 -1.373 -12.345 1.00 1.98 H new ATOM 0 HD3 PRO A 95 -5.916 -1.135 -12.915 1.00 1.98 H new ATOM 1364 N ALA A 96 -9.739 1.415 -14.860 1.00 1.82 N ATOM 1365 CA ALA A 96 -11.176 1.717 -14.924 1.00 1.84 C ATOM 1366 C ALA A 96 -12.022 0.565 -14.364 1.00 1.95 C ATOM 1367 O ALA A 96 -12.217 0.488 -13.151 1.00 3.30 O ATOM 1368 CB ALA A 96 -11.559 2.187 -16.341 1.00 2.10 C ATOM 0 H ALA A 96 -9.217 2.118 -14.336 1.00 1.82 H new ATOM 0 HA ALA A 96 -11.405 2.555 -14.266 1.00 1.84 H new ATOM 0 HB1 ALA A 96 -12.626 2.407 -16.375 1.00 2.10 H new ATOM 0 HB2 ALA A 96 -10.995 3.085 -16.591 1.00 2.10 H new ATOM 0 HB3 ALA A 96 -11.328 1.401 -17.060 1.00 2.10 H new ATOM 1374 N ARG A 97 -12.498 -0.337 -15.225 1.00 1.76 N ATOM 1375 CA ARG A 97 -13.389 -1.450 -14.876 1.00 1.80 C ATOM 1376 C ARG A 97 -12.707 -2.637 -14.155 1.00 1.73 C ATOM 1377 O ARG A 97 -13.173 -3.777 -14.228 1.00 2.26 O ATOM 1378 CB ARG A 97 -14.163 -1.910 -16.123 1.00 1.96 C ATOM 1379 CG ARG A 97 -13.281 -2.618 -17.180 1.00 3.10 C ATOM 1380 CD ARG A 97 -13.857 -3.953 -17.676 1.00 2.96 C ATOM 1381 NE ARG A 97 -14.876 -3.773 -18.735 1.00 3.79 N ATOM 1382 CZ ARG A 97 -16.117 -4.256 -18.747 1.00 3.91 C ATOM 1383 NH1 ARG A 97 -16.650 -4.885 -17.720 1.00 3.77 N ATOM 1384 NH2 ARG A 97 -16.855 -4.056 -19.822 1.00 5.22 N ATOM 0 H ARG A 97 -12.267 -0.314 -16.218 1.00 1.76 H new ATOM 0 HA ARG A 97 -14.083 -1.057 -14.133 1.00 1.80 H new ATOM 0 HB2 ARG A 97 -14.959 -2.588 -15.815 1.00 1.96 H new ATOM 0 HB3 ARG A 97 -14.640 -1.045 -16.583 1.00 1.96 H new ATOM 0 HG2 ARG A 97 -13.147 -1.952 -18.032 1.00 3.10 H new ATOM 0 HG3 ARG A 97 -12.293 -2.795 -16.755 1.00 3.10 H new ATOM 0 HD2 ARG A 97 -13.047 -4.575 -18.058 1.00 2.96 H new ATOM 0 HD3 ARG A 97 -14.301 -4.488 -16.836 1.00 2.96 H new ATOM 0 HE ARG A 97 -14.597 -3.218 -19.544 1.00 3.79 H new ATOM 0 HH11 ARG A 97 -16.107 -5.020 -16.867 1.00 3.77 H new ATOM 0 HH12 ARG A 97 -17.606 -5.237 -17.778 1.00 3.77 H new ATOM 0 HH21 ARG A 97 -16.471 -3.543 -20.616 1.00 5.22 H new ATOM 0 HH22 ARG A 97 -17.809 -4.415 -19.859 1.00 5.22 H new ATOM 1398 N GLY A 98 -11.544 -2.415 -13.529 1.00 1.45 N ATOM 1399 CA GLY A 98 -10.819 -3.411 -12.726 1.00 1.52 C ATOM 1400 C GLY A 98 -11.076 -3.197 -11.232 1.00 1.82 C ATOM 1401 O GLY A 98 -11.993 -2.476 -10.839 1.00 3.10 O ATOM 0 H GLY A 98 -11.068 -1.514 -13.567 1.00 1.45 H new ATOM 0 HA2 GLY A 98 -11.133 -4.415 -13.013 1.00 1.52 H new ATOM 0 HA3 GLY A 98 -9.750 -3.341 -12.929 1.00 1.52 H new ATOM 1405 N THR A 99 -10.198 -3.789 -10.424 1.00 1.52 N ATOM 1406 CA THR A 99 -10.089 -3.484 -8.997 1.00 1.70 C ATOM 1407 C THR A 99 -8.641 -3.584 -8.573 1.00 1.47 C ATOM 1408 O THR A 99 -7.995 -4.618 -8.731 1.00 1.56 O ATOM 1409 CB THR A 99 -11.039 -4.316 -8.133 1.00 2.22 C ATOM 1410 OG1 THR A 99 -10.729 -3.952 -6.819 1.00 3.34 O ATOM 1411 CG2 THR A 99 -10.918 -5.833 -8.255 1.00 3.05 C ATOM 0 H THR A 99 -9.538 -4.498 -10.742 1.00 1.52 H new ATOM 0 HA THR A 99 -10.418 -2.458 -8.834 1.00 1.70 H new ATOM 0 HB THR A 99 -12.058 -4.106 -8.459 1.00 2.22 H new ATOM 0 HG1 THR A 99 -11.303 -4.447 -6.198 1.00 3.34 H new ATOM 0 HG21 THR A 99 -11.642 -6.310 -7.595 1.00 3.05 H new ATOM 0 HG22 THR A 99 -11.113 -6.132 -9.285 1.00 3.05 H new ATOM 0 HG23 THR A 99 -9.912 -6.142 -7.972 1.00 3.05 H new ATOM 1419 N LEU A 100 -8.119 -2.475 -8.067 1.00 1.50 N ATOM 1420 CA LEU A 100 -6.771 -2.392 -7.558 1.00 1.43 C ATOM 1421 C LEU A 100 -6.766 -2.882 -6.108 1.00 1.33 C ATOM 1422 O LEU A 100 -7.459 -2.323 -5.260 1.00 1.44 O ATOM 1423 CB LEU A 100 -6.324 -0.935 -7.722 1.00 1.84 C ATOM 1424 CG LEU A 100 -4.829 -0.745 -7.969 1.00 2.34 C ATOM 1425 CD1 LEU A 100 -3.977 -1.290 -6.821 1.00 3.30 C ATOM 1426 CD2 LEU A 100 -4.379 -1.374 -9.294 1.00 3.52 C ATOM 0 H LEU A 100 -8.635 -1.597 -8.001 1.00 1.50 H new ATOM 0 HA LEU A 100 -6.065 -3.025 -8.097 1.00 1.43 H new ATOM 0 HB2 LEU A 100 -6.874 -0.493 -8.553 1.00 1.84 H new ATOM 0 HB3 LEU A 100 -6.602 -0.382 -6.825 1.00 1.84 H new ATOM 0 HG LEU A 100 -4.673 0.332 -8.028 1.00 2.34 H new ATOM 0 HD11 LEU A 100 -2.922 -1.131 -7.044 1.00 3.30 H new ATOM 0 HD12 LEU A 100 -4.235 -0.771 -5.898 1.00 3.30 H new ATOM 0 HD13 LEU A 100 -4.166 -2.357 -6.702 1.00 3.30 H new ATOM 0 HD21 LEU A 100 -3.309 -1.214 -9.428 1.00 3.52 H new ATOM 0 HD22 LEU A 100 -4.587 -2.444 -9.278 1.00 3.52 H new ATOM 0 HD23 LEU A 100 -4.921 -0.911 -10.119 1.00 3.52 H new ATOM 1438 N THR A 101 -6.005 -3.944 -5.851 1.00 1.29 N ATOM 1439 CA THR A 101 -5.919 -4.681 -4.590 1.00 1.32 C ATOM 1440 C THR A 101 -4.460 -4.704 -4.186 1.00 1.08 C ATOM 1441 O THR A 101 -3.645 -5.006 -5.039 1.00 1.66 O ATOM 1442 CB THR A 101 -6.378 -6.118 -4.856 1.00 2.07 C ATOM 1443 OG1 THR A 101 -7.783 -6.103 -5.021 1.00 2.87 O ATOM 1444 CG2 THR A 101 -6.086 -7.071 -3.694 1.00 2.68 C ATOM 0 H THR A 101 -5.392 -4.339 -6.564 1.00 1.29 H new ATOM 0 HA THR A 101 -6.532 -4.226 -3.812 1.00 1.32 H new ATOM 0 HB THR A 101 -5.837 -6.469 -5.735 1.00 2.07 H new ATOM 0 HG1 THR A 101 -8.102 -7.013 -5.195 1.00 2.87 H new ATOM 0 HG21 THR A 101 -6.436 -8.072 -3.947 1.00 2.68 H new ATOM 0 HG22 THR A 101 -5.013 -7.099 -3.507 1.00 2.68 H new ATOM 0 HG23 THR A 101 -6.601 -6.722 -2.799 1.00 2.68 H new ATOM 1452 N LEU A 102 -4.142 -4.421 -2.921 1.00 1.00 N ATOM 1453 CA LEU A 102 -2.811 -4.479 -2.303 1.00 1.39 C ATOM 1454 C LEU A 102 -2.925 -5.264 -0.978 1.00 1.17 C ATOM 1455 O LEU A 102 -3.155 -4.678 0.081 1.00 1.23 O ATOM 1456 CB LEU A 102 -2.374 -3.026 -2.045 1.00 2.08 C ATOM 1457 CG LEU A 102 -1.411 -2.357 -3.029 1.00 2.78 C ATOM 1458 CD1 LEU A 102 0.031 -2.817 -2.791 1.00 3.86 C ATOM 1459 CD2 LEU A 102 -1.812 -2.535 -4.487 1.00 3.60 C ATOM 0 H LEU A 102 -4.855 -4.125 -2.254 1.00 1.00 H new ATOM 0 HA LEU A 102 -2.080 -4.978 -2.938 1.00 1.39 H new ATOM 0 HB2 LEU A 102 -3.275 -2.414 -1.998 1.00 2.08 H new ATOM 0 HB3 LEU A 102 -1.913 -2.991 -1.058 1.00 2.08 H new ATOM 0 HG LEU A 102 -1.472 -1.287 -2.829 1.00 2.78 H new ATOM 0 HD11 LEU A 102 0.692 -2.325 -3.505 1.00 3.86 H new ATOM 0 HD12 LEU A 102 0.333 -2.556 -1.777 1.00 3.86 H new ATOM 0 HD13 LEU A 102 0.095 -3.897 -2.922 1.00 3.86 H new ATOM 0 HD21 LEU A 102 -1.085 -2.036 -5.128 1.00 3.60 H new ATOM 0 HD22 LEU A 102 -1.840 -3.597 -4.730 1.00 3.60 H new ATOM 0 HD23 LEU A 102 -2.798 -2.100 -4.649 1.00 3.60 H new ATOM 1471 N GLN A 103 -2.862 -6.592 -1.015 1.00 1.09 N ATOM 1472 CA GLN A 103 -3.231 -7.442 0.139 1.00 1.07 C ATOM 1473 C GLN A 103 -2.443 -8.761 0.141 1.00 1.12 C ATOM 1474 O GLN A 103 -1.666 -9.022 -0.773 1.00 1.25 O ATOM 1475 CB GLN A 103 -4.762 -7.694 0.154 1.00 1.26 C ATOM 1476 CG GLN A 103 -5.609 -6.426 0.392 1.00 1.81 C ATOM 1477 CD GLN A 103 -7.101 -6.688 0.586 1.00 1.76 C ATOM 1478 OE1 GLN A 103 -7.663 -6.523 1.665 1.00 2.20 O ATOM 1479 NE2 GLN A 103 -7.797 -7.062 -0.465 1.00 2.75 N ATOM 0 H GLN A 103 -2.557 -7.117 -1.835 1.00 1.09 H new ATOM 0 HA GLN A 103 -2.964 -6.911 1.053 1.00 1.07 H new ATOM 0 HB2 GLN A 103 -5.055 -8.140 -0.796 1.00 1.26 H new ATOM 0 HB3 GLN A 103 -4.992 -8.422 0.932 1.00 1.26 H new ATOM 0 HG2 GLN A 103 -5.226 -5.909 1.272 1.00 1.81 H new ATOM 0 HG3 GLN A 103 -5.478 -5.753 -0.455 1.00 1.81 H new ATOM 0 HE21 GLN A 103 -7.332 -7.200 -1.362 1.00 2.75 H new ATOM 0 HE22 GLN A 103 -8.802 -7.215 -0.383 1.00 2.75 H new ATOM 1488 N ARG A 104 -2.668 -9.651 1.121 1.00 1.34 N ATOM 1489 CA ARG A 104 -2.150 -11.037 1.085 1.00 1.74 C ATOM 1490 C ARG A 104 -2.921 -11.932 0.084 1.00 1.97 C ATOM 1491 O ARG A 104 -3.160 -13.113 0.334 1.00 2.67 O ATOM 1492 CB ARG A 104 -2.113 -11.651 2.496 1.00 2.00 C ATOM 1493 CG ARG A 104 -0.968 -12.679 2.623 1.00 3.01 C ATOM 1494 CD ARG A 104 -1.290 -13.776 3.646 1.00 3.34 C ATOM 1495 NE ARG A 104 -0.098 -14.296 4.345 1.00 3.98 N ATOM 1496 CZ ARG A 104 0.898 -15.025 3.870 1.00 4.81 C ATOM 1497 NH1 ARG A 104 0.960 -15.395 2.610 1.00 5.50 N ATOM 1498 NH2 ARG A 104 1.862 -15.405 4.672 1.00 5.84 N ATOM 0 H ARG A 104 -3.210 -9.436 1.958 1.00 1.34 H new ATOM 0 HA ARG A 104 -1.125 -10.987 0.718 1.00 1.74 H new ATOM 0 HB2 ARG A 104 -1.982 -10.862 3.236 1.00 2.00 H new ATOM 0 HB3 ARG A 104 -3.066 -12.134 2.711 1.00 2.00 H new ATOM 0 HG2 ARG A 104 -0.780 -13.134 1.651 1.00 3.01 H new ATOM 0 HG3 ARG A 104 -0.052 -12.167 2.917 1.00 3.01 H new ATOM 0 HD2 ARG A 104 -1.990 -13.381 4.382 1.00 3.34 H new ATOM 0 HD3 ARG A 104 -1.792 -14.600 3.138 1.00 3.34 H new ATOM 0 HE ARG A 104 -0.033 -14.059 5.335 1.00 3.98 H new ATOM 0 HH11 ARG A 104 0.223 -15.120 1.961 1.00 5.50 H new ATOM 0 HH12 ARG A 104 1.745 -15.957 2.282 1.00 5.50 H new ATOM 0 HH21 ARG A 104 1.841 -15.138 5.656 1.00 5.84 H new ATOM 0 HH22 ARG A 104 2.633 -15.967 4.312 1.00 5.84 H new ATOM 1512 N ASP A 105 -3.343 -11.334 -1.027 1.00 2.01 N ATOM 1513 CA ASP A 105 -4.114 -11.938 -2.115 1.00 2.34 C ATOM 1514 C ASP A 105 -3.330 -11.908 -3.448 1.00 2.20 C ATOM 1515 O ASP A 105 -3.720 -12.579 -4.400 1.00 2.65 O ATOM 1516 CB ASP A 105 -5.445 -11.179 -2.243 1.00 2.67 C ATOM 1517 CG ASP A 105 -6.331 -11.309 -1.001 1.00 2.89 C ATOM 1518 OD1 ASP A 105 -6.791 -12.432 -0.700 1.00 3.14 O ATOM 1519 OD2 ASP A 105 -6.652 -10.277 -0.363 1.00 3.69 O ATOM 0 H ASP A 105 -3.143 -10.350 -1.205 1.00 2.01 H new ATOM 0 HA ASP A 105 -4.304 -12.987 -1.886 1.00 2.34 H new ATOM 0 HB2 ASP A 105 -5.239 -10.124 -2.427 1.00 2.67 H new ATOM 0 HB3 ASP A 105 -5.988 -11.553 -3.111 1.00 2.67 H new ATOM 1524 N GLY A 106 -2.215 -11.159 -3.505 1.00 1.86 N ATOM 1525 CA GLY A 106 -1.344 -11.017 -4.683 1.00 1.94 C ATOM 1526 C GLY A 106 -0.342 -9.874 -4.505 1.00 1.97 C ATOM 1527 O GLY A 106 0.838 -10.106 -4.227 1.00 2.22 O ATOM 0 H GLY A 106 -1.885 -10.618 -2.705 1.00 1.86 H new ATOM 0 HA2 GLY A 106 -0.807 -11.950 -4.854 1.00 1.94 H new ATOM 0 HA3 GLY A 106 -1.954 -10.833 -5.568 1.00 1.94 H new ATOM 1531 N ASP A 107 -0.814 -8.634 -4.650 1.00 2.52 N ATOM 1532 CA ASP A 107 0.017 -7.436 -4.649 1.00 2.85 C ATOM 1533 C ASP A 107 0.264 -6.921 -3.229 1.00 1.89 C ATOM 1534 O ASP A 107 -0.687 -6.769 -2.485 1.00 1.56 O ATOM 1535 CB ASP A 107 -0.676 -6.348 -5.483 1.00 3.89 C ATOM 1536 CG ASP A 107 -1.198 -6.768 -6.866 1.00 5.39 C ATOM 1537 OD1 ASP A 107 -2.284 -7.363 -6.998 1.00 6.46 O ATOM 1538 OD2 ASP A 107 -0.476 -6.500 -7.857 1.00 6.05 O ATOM 0 H ASP A 107 -1.807 -8.434 -4.774 1.00 2.52 H new ATOM 0 HA ASP A 107 0.985 -7.687 -5.082 1.00 2.85 H new ATOM 0 HB2 ASP A 107 -1.515 -5.959 -4.906 1.00 3.89 H new ATOM 0 HB3 ASP A 107 0.025 -5.525 -5.619 1.00 3.89 H new ATOM 1543 N HIS A 108 1.486 -6.605 -2.795 1.00 1.83 N ATOM 1544 CA HIS A 108 1.706 -6.235 -1.394 1.00 1.36 C ATOM 1545 C HIS A 108 2.969 -5.398 -1.102 1.00 1.23 C ATOM 1546 O HIS A 108 3.953 -5.435 -1.843 1.00 1.51 O ATOM 1547 CB HIS A 108 1.573 -7.484 -0.493 1.00 1.95 C ATOM 1548 CG HIS A 108 2.851 -8.186 -0.085 1.00 2.41 C ATOM 1549 ND1 HIS A 108 3.104 -8.713 1.162 1.00 2.26 N ATOM 1550 CD2 HIS A 108 3.944 -8.471 -0.863 1.00 4.09 C ATOM 1551 CE1 HIS A 108 4.318 -9.291 1.140 1.00 2.87 C ATOM 1552 NE2 HIS A 108 4.877 -9.166 -0.077 1.00 4.13 N ATOM 0 H HIS A 108 2.323 -6.597 -3.378 1.00 1.83 H new ATOM 0 HA HIS A 108 0.913 -5.530 -1.144 1.00 1.36 H new ATOM 0 HB2 HIS A 108 1.045 -7.191 0.414 1.00 1.95 H new ATOM 0 HB3 HIS A 108 0.941 -8.207 -1.010 1.00 1.95 H new ATOM 0 HD2 HIS A 108 4.066 -8.206 -1.903 1.00 4.09 H new ATOM 0 HE1 HIS A 108 4.779 -9.786 1.982 1.00 2.87 H new ATOM 0 HE2 HIS A 108 5.793 -9.507 -0.369 1.00 4.13 H new ATOM 1560 N VAL A 109 2.925 -4.647 0.005 1.00 1.07 N ATOM 1561 CA VAL A 109 4.043 -3.854 0.538 1.00 0.93 C ATOM 1562 C VAL A 109 4.358 -4.287 1.979 1.00 0.95 C ATOM 1563 O VAL A 109 3.460 -4.406 2.819 1.00 1.06 O ATOM 1564 CB VAL A 109 3.785 -2.333 0.412 1.00 0.95 C ATOM 1565 CG1 VAL A 109 2.395 -1.914 0.921 1.00 1.86 C ATOM 1566 CG2 VAL A 109 4.855 -1.502 1.142 1.00 1.63 C ATOM 0 H VAL A 109 2.082 -4.571 0.575 1.00 1.07 H new ATOM 0 HA VAL A 109 4.928 -4.052 -0.067 1.00 0.93 H new ATOM 0 HB VAL A 109 3.835 -2.128 -0.657 1.00 0.95 H new ATOM 0 HG11 VAL A 109 2.275 -0.837 0.806 1.00 1.86 H new ATOM 0 HG12 VAL A 109 1.626 -2.428 0.345 1.00 1.86 H new ATOM 0 HG13 VAL A 109 2.298 -2.180 1.974 1.00 1.86 H new ATOM 0 HG21 VAL A 109 4.633 -0.441 1.026 1.00 1.63 H new ATOM 0 HG22 VAL A 109 4.856 -1.759 2.201 1.00 1.63 H new ATOM 0 HG23 VAL A 109 5.835 -1.716 0.716 1.00 1.63 H new ATOM 1576 N MET A 110 5.651 -4.497 2.248 1.00 0.92 N ATOM 1577 CA MET A 110 6.232 -4.933 3.519 1.00 0.98 C ATOM 1578 C MET A 110 7.222 -3.875 4.039 1.00 0.93 C ATOM 1579 O MET A 110 8.042 -3.345 3.291 1.00 0.95 O ATOM 1580 CB MET A 110 6.902 -6.303 3.315 1.00 1.12 C ATOM 1581 CG MET A 110 6.848 -7.177 4.575 1.00 1.48 C ATOM 1582 SD MET A 110 7.951 -6.717 5.931 1.00 2.78 S ATOM 1583 CE MET A 110 7.325 -7.876 7.176 1.00 2.52 C ATOM 0 H MET A 110 6.366 -4.357 1.534 1.00 0.92 H new ATOM 0 HA MET A 110 5.454 -5.041 4.275 1.00 0.98 H new ATOM 0 HB2 MET A 110 6.411 -6.825 2.493 1.00 1.12 H new ATOM 0 HB3 MET A 110 7.942 -6.155 3.023 1.00 1.12 H new ATOM 0 HG2 MET A 110 5.825 -7.169 4.951 1.00 1.48 H new ATOM 0 HG3 MET A 110 7.073 -8.204 4.287 1.00 1.48 H new ATOM 0 HE1 MET A 110 8.075 -8.013 7.955 1.00 2.52 H new ATOM 0 HE2 MET A 110 6.411 -7.478 7.617 1.00 2.52 H new ATOM 0 HE3 MET A 110 7.112 -8.836 6.705 1.00 2.52 H new ATOM 1593 N LEU A 111 7.081 -3.510 5.308 1.00 0.91 N ATOM 1594 CA LEU A 111 7.718 -2.363 5.949 1.00 0.83 C ATOM 1595 C LEU A 111 8.802 -2.867 6.905 1.00 0.74 C ATOM 1596 O LEU A 111 8.624 -2.872 8.126 1.00 0.76 O ATOM 1597 CB LEU A 111 6.636 -1.522 6.660 1.00 0.92 C ATOM 1598 CG LEU A 111 5.464 -1.056 5.774 1.00 1.35 C ATOM 1599 CD1 LEU A 111 4.503 -0.204 6.612 1.00 1.88 C ATOM 1600 CD2 LEU A 111 5.944 -0.256 4.554 1.00 2.48 C ATOM 0 H LEU A 111 6.488 -4.033 5.952 1.00 0.91 H new ATOM 0 HA LEU A 111 8.204 -1.717 5.217 1.00 0.83 H new ATOM 0 HB2 LEU A 111 6.233 -2.106 7.487 1.00 0.92 H new ATOM 0 HB3 LEU A 111 7.112 -0.642 7.094 1.00 0.92 H new ATOM 0 HG LEU A 111 4.953 -1.943 5.399 1.00 1.35 H new ATOM 0 HD11 LEU A 111 3.673 0.127 5.989 1.00 1.88 H new ATOM 0 HD12 LEU A 111 4.119 -0.798 7.442 1.00 1.88 H new ATOM 0 HD13 LEU A 111 5.033 0.665 7.002 1.00 1.88 H new ATOM 0 HD21 LEU A 111 5.084 0.051 3.959 1.00 2.48 H new ATOM 0 HD22 LEU A 111 6.488 0.627 4.889 1.00 2.48 H new ATOM 0 HD23 LEU A 111 6.602 -0.878 3.947 1.00 2.48 H new ATOM 1612 N MET A 112 9.909 -3.334 6.324 1.00 0.79 N ATOM 1613 CA MET A 112 11.019 -3.940 7.064 1.00 0.79 C ATOM 1614 C MET A 112 11.851 -2.862 7.772 1.00 0.77 C ATOM 1615 O MET A 112 12.123 -1.793 7.197 1.00 0.80 O ATOM 1616 CB MET A 112 11.860 -4.787 6.093 1.00 0.93 C ATOM 1617 CG MET A 112 12.985 -5.560 6.794 1.00 1.23 C ATOM 1618 SD MET A 112 13.875 -6.722 5.718 1.00 1.75 S ATOM 1619 CE MET A 112 12.686 -8.089 5.701 1.00 2.69 C ATOM 0 H MET A 112 10.062 -3.302 5.316 1.00 0.79 H new ATOM 0 HA MET A 112 10.635 -4.595 7.846 1.00 0.79 H new ATOM 0 HB2 MET A 112 11.209 -5.492 5.577 1.00 0.93 H new ATOM 0 HB3 MET A 112 12.292 -4.137 5.333 1.00 0.93 H new ATOM 0 HG2 MET A 112 13.698 -4.846 7.207 1.00 1.23 H new ATOM 0 HG3 MET A 112 12.563 -6.111 7.634 1.00 1.23 H new ATOM 0 HE1 MET A 112 13.168 -8.995 6.069 1.00 2.69 H new ATOM 0 HE2 MET A 112 11.839 -7.843 6.341 1.00 2.69 H new ATOM 0 HE3 MET A 112 12.335 -8.253 4.682 1.00 2.69 H new ATOM 1629 N GLY A 113 12.254 -3.149 9.013 1.00 0.85 N ATOM 1630 CA GLY A 113 13.110 -2.265 9.806 1.00 0.96 C ATOM 1631 C GLY A 113 12.421 -0.957 10.179 1.00 1.03 C ATOM 1632 O GLY A 113 12.986 0.117 9.990 1.00 1.40 O ATOM 0 H GLY A 113 11.993 -4.007 9.498 1.00 0.85 H new ATOM 0 HA2 GLY A 113 13.415 -2.782 10.716 1.00 0.96 H new ATOM 0 HA3 GLY A 113 14.018 -2.045 9.244 1.00 0.96 H new ATOM 1636 N LEU A 114 11.183 -1.038 10.658 1.00 0.96 N ATOM 1637 CA LEU A 114 10.405 0.061 11.206 1.00 1.09 C ATOM 1638 C LEU A 114 11.097 0.660 12.444 1.00 1.22 C ATOM 1639 O LEU A 114 12.119 0.180 12.928 1.00 2.11 O ATOM 1640 CB LEU A 114 8.978 -0.473 11.477 1.00 1.46 C ATOM 1641 CG LEU A 114 7.866 0.576 11.304 1.00 2.01 C ATOM 1642 CD1 LEU A 114 7.598 0.885 9.823 1.00 2.79 C ATOM 1643 CD2 LEU A 114 6.573 0.078 11.963 1.00 2.89 C ATOM 0 H LEU A 114 10.671 -1.920 10.674 1.00 0.96 H new ATOM 0 HA LEU A 114 10.332 0.891 10.504 1.00 1.09 H new ATOM 0 HB2 LEU A 114 8.781 -1.308 10.805 1.00 1.46 H new ATOM 0 HB3 LEU A 114 8.936 -0.865 12.493 1.00 1.46 H new ATOM 0 HG LEU A 114 8.202 1.495 11.785 1.00 2.01 H new ATOM 0 HD11 LEU A 114 6.806 1.630 9.744 1.00 2.79 H new ATOM 0 HD12 LEU A 114 8.507 1.271 9.362 1.00 2.79 H new ATOM 0 HD13 LEU A 114 7.290 -0.027 9.311 1.00 2.79 H new ATOM 0 HD21 LEU A 114 5.789 0.825 11.837 1.00 2.89 H new ATOM 0 HD22 LEU A 114 6.262 -0.856 11.495 1.00 2.89 H new ATOM 0 HD23 LEU A 114 6.747 -0.089 13.026 1.00 2.89 H new ATOM 1655 N LYS A 115 10.526 1.728 12.995 1.00 0.97 N ATOM 1656 CA LYS A 115 11.101 2.481 14.124 1.00 1.36 C ATOM 1657 C LYS A 115 10.368 2.189 15.444 1.00 1.60 C ATOM 1658 O LYS A 115 10.997 1.920 16.466 1.00 2.28 O ATOM 1659 CB LYS A 115 11.039 3.997 13.844 1.00 1.98 C ATOM 1660 CG LYS A 115 11.683 4.494 12.542 1.00 2.10 C ATOM 1661 CD LYS A 115 13.200 4.297 12.415 1.00 2.49 C ATOM 1662 CE LYS A 115 13.515 3.092 11.531 1.00 2.98 C ATOM 1663 NZ LYS A 115 14.971 2.931 11.333 1.00 4.31 N ATOM 0 H LYS A 115 9.636 2.107 12.670 1.00 0.97 H new ATOM 0 HA LYS A 115 12.137 2.159 14.226 1.00 1.36 H new ATOM 0 HB2 LYS A 115 9.991 4.298 13.840 1.00 1.98 H new ATOM 0 HB3 LYS A 115 11.516 4.515 14.676 1.00 1.98 H new ATOM 0 HG2 LYS A 115 11.201 3.986 11.706 1.00 2.10 H new ATOM 0 HG3 LYS A 115 11.466 5.557 12.437 1.00 2.10 H new ATOM 0 HD2 LYS A 115 13.654 5.193 11.992 1.00 2.49 H new ATOM 0 HD3 LYS A 115 13.637 4.154 13.403 1.00 2.49 H new ATOM 0 HE2 LYS A 115 13.107 2.189 11.986 1.00 2.98 H new ATOM 0 HE3 LYS A 115 13.026 3.211 10.564 1.00 2.98 H new ATOM 0 HZ1 LYS A 115 15.144 2.253 10.564 1.00 4.31 H new ATOM 0 HZ2 LYS A 115 15.391 3.850 11.086 1.00 4.31 H new ATOM 0 HZ3 LYS A 115 15.404 2.577 12.210 1.00 4.31 H new ATOM 1677 N ARG A 116 9.031 2.275 15.432 1.00 1.53 N ATOM 1678 CA ARG A 116 8.154 2.218 16.619 1.00 1.98 C ATOM 1679 C ARG A 116 6.770 1.652 16.233 1.00 1.45 C ATOM 1680 O ARG A 116 6.371 1.861 15.079 1.00 1.07 O ATOM 1681 CB ARG A 116 7.973 3.619 17.258 1.00 2.61 C ATOM 1682 CG ARG A 116 9.285 4.317 17.655 1.00 3.59 C ATOM 1683 CD ARG A 116 9.069 5.564 18.524 1.00 4.00 C ATOM 1684 NE ARG A 116 8.878 5.227 19.946 1.00 4.83 N ATOM 1685 CZ ARG A 116 9.824 4.940 20.837 1.00 6.19 C ATOM 1686 NH1 ARG A 116 11.099 4.853 20.518 1.00 7.20 N ATOM 1687 NH2 ARG A 116 9.487 4.687 22.080 1.00 7.14 N ATOM 0 H ARG A 116 8.507 2.391 14.565 1.00 1.53 H new ATOM 0 HA ARG A 116 8.631 1.563 17.349 1.00 1.98 H new ATOM 0 HB2 ARG A 116 7.435 4.257 16.556 1.00 2.61 H new ATOM 0 HB3 ARG A 116 7.346 3.521 18.144 1.00 2.61 H new ATOM 0 HG2 ARG A 116 9.915 3.611 18.195 1.00 3.59 H new ATOM 0 HG3 ARG A 116 9.825 4.601 16.752 1.00 3.59 H new ATOM 0 HD2 ARG A 116 9.927 6.228 18.422 1.00 4.00 H new ATOM 0 HD3 ARG A 116 8.198 6.110 18.162 1.00 4.00 H new ATOM 0 HE ARG A 116 7.916 5.212 20.284 1.00 4.83 H new ATOM 0 HH11 ARG A 116 11.395 5.008 19.554 1.00 7.20 H new ATOM 0 HH12 ARG A 116 11.790 4.630 21.235 1.00 7.20 H new ATOM 0 HH21 ARG A 116 8.506 4.711 22.357 1.00 7.14 H new ATOM 0 HH22 ARG A 116 10.206 4.466 22.769 1.00 7.14 H new ATOM 1701 N PRO A 117 6.060 0.958 17.149 1.00 1.74 N ATOM 1702 CA PRO A 117 4.707 0.456 16.930 1.00 1.65 C ATOM 1703 C PRO A 117 3.659 1.571 17.094 1.00 1.28 C ATOM 1704 O PRO A 117 3.966 2.657 17.585 1.00 1.44 O ATOM 1705 CB PRO A 117 4.520 -0.639 17.984 1.00 2.41 C ATOM 1706 CG PRO A 117 5.317 -0.090 19.161 1.00 2.76 C ATOM 1707 CD PRO A 117 6.514 0.571 18.480 1.00 2.47 C ATOM 0 HA PRO A 117 4.574 0.077 15.917 1.00 1.65 H new ATOM 0 HB2 PRO A 117 3.470 -0.786 18.236 1.00 2.41 H new ATOM 0 HB3 PRO A 117 4.904 -1.601 17.645 1.00 2.41 H new ATOM 0 HG2 PRO A 117 4.737 0.626 19.744 1.00 2.76 H new ATOM 0 HG3 PRO A 117 5.626 -0.881 19.844 1.00 2.76 H new ATOM 0 HD2 PRO A 117 6.852 1.440 19.044 1.00 2.47 H new ATOM 0 HD3 PRO A 117 7.357 -0.117 18.419 1.00 2.47 H new ATOM 1715 N LEU A 118 2.410 1.262 16.727 1.00 1.29 N ATOM 1716 CA LEU A 118 1.240 2.149 16.808 1.00 1.33 C ATOM 1717 C LEU A 118 0.038 1.369 17.386 1.00 1.42 C ATOM 1718 O LEU A 118 0.133 0.160 17.634 1.00 1.68 O ATOM 1719 CB LEU A 118 0.914 2.694 15.396 1.00 1.58 C ATOM 1720 CG LEU A 118 2.007 3.552 14.722 1.00 1.86 C ATOM 1721 CD1 LEU A 118 1.581 3.853 13.279 1.00 2.81 C ATOM 1722 CD2 LEU A 118 2.249 4.875 15.467 1.00 2.71 C ATOM 0 H LEU A 118 2.175 0.345 16.348 1.00 1.29 H new ATOM 0 HA LEU A 118 1.454 2.990 17.468 1.00 1.33 H new ATOM 0 HB2 LEU A 118 0.695 1.848 14.745 1.00 1.58 H new ATOM 0 HB3 LEU A 118 0.004 3.290 15.462 1.00 1.58 H new ATOM 0 HG LEU A 118 2.939 2.988 14.744 1.00 1.86 H new ATOM 0 HD11 LEU A 118 2.346 4.459 12.793 1.00 2.81 H new ATOM 0 HD12 LEU A 118 1.458 2.917 12.733 1.00 2.81 H new ATOM 0 HD13 LEU A 118 0.636 4.397 13.284 1.00 2.81 H new ATOM 0 HD21 LEU A 118 3.026 5.444 14.956 1.00 2.71 H new ATOM 0 HD22 LEU A 118 1.327 5.456 15.486 1.00 2.71 H new ATOM 0 HD23 LEU A 118 2.566 4.665 16.488 1.00 2.71 H new ATOM 1734 N LYS A 119 -1.125 2.022 17.519 1.00 1.33 N ATOM 1735 CA LYS A 119 -2.396 1.313 17.709 1.00 1.31 C ATOM 1736 C LYS A 119 -2.868 0.633 16.385 1.00 1.07 C ATOM 1737 O LYS A 119 -2.066 0.346 15.505 1.00 2.06 O ATOM 1738 CB LYS A 119 -3.418 2.288 18.349 1.00 2.20 C ATOM 1739 CG LYS A 119 -4.310 1.636 19.425 1.00 2.48 C ATOM 1740 CD LYS A 119 -3.659 1.623 20.823 1.00 2.63 C ATOM 1741 CE LYS A 119 -4.606 0.992 21.858 1.00 3.84 C ATOM 1742 NZ LYS A 119 -4.086 1.077 23.248 1.00 4.28 N ATOM 0 H LYS A 119 -1.211 3.038 17.498 1.00 1.33 H new ATOM 0 HA LYS A 119 -2.279 0.481 18.404 1.00 1.31 H new ATOM 0 HB2 LYS A 119 -2.879 3.124 18.795 1.00 2.20 H new ATOM 0 HB3 LYS A 119 -4.053 2.700 17.565 1.00 2.20 H new ATOM 0 HG2 LYS A 119 -5.258 2.172 19.477 1.00 2.48 H new ATOM 0 HG3 LYS A 119 -4.539 0.613 19.128 1.00 2.48 H new ATOM 0 HD2 LYS A 119 -2.724 1.063 20.789 1.00 2.63 H new ATOM 0 HD3 LYS A 119 -3.410 2.641 21.123 1.00 2.63 H new ATOM 0 HE2 LYS A 119 -5.575 1.489 21.807 1.00 3.84 H new ATOM 0 HE3 LYS A 119 -4.771 -0.054 21.601 1.00 3.84 H new ATOM 0 HZ1 LYS A 119 -4.766 0.636 23.900 1.00 4.28 H new ATOM 0 HZ2 LYS A 119 -3.175 0.579 23.309 1.00 4.28 H new ATOM 0 HZ3 LYS A 119 -3.953 2.075 23.509 1.00 4.28 H new ATOM 1756 N VAL A 120 -4.173 0.386 16.240 1.00 1.30 N ATOM 1757 CA VAL A 120 -4.886 -0.208 15.095 1.00 1.53 C ATOM 1758 C VAL A 120 -6.024 0.716 14.609 1.00 1.75 C ATOM 1759 O VAL A 120 -7.006 0.281 14.011 1.00 2.22 O ATOM 1760 CB VAL A 120 -5.358 -1.634 15.484 1.00 1.98 C ATOM 1761 CG1 VAL A 120 -6.462 -1.632 16.561 1.00 2.08 C ATOM 1762 CG2 VAL A 120 -5.769 -2.486 14.273 1.00 3.34 C ATOM 0 H VAL A 120 -4.823 0.618 16.991 1.00 1.30 H new ATOM 0 HA VAL A 120 -4.217 -0.307 14.240 1.00 1.53 H new ATOM 0 HB VAL A 120 -4.480 -2.107 15.924 1.00 1.98 H new ATOM 0 HG11 VAL A 120 -6.749 -2.658 16.790 1.00 2.08 H new ATOM 0 HG12 VAL A 120 -6.088 -1.150 17.464 1.00 2.08 H new ATOM 0 HG13 VAL A 120 -7.330 -1.086 16.191 1.00 2.08 H new ATOM 0 HG21 VAL A 120 -6.089 -3.471 14.613 1.00 3.34 H new ATOM 0 HG22 VAL A 120 -6.591 -1.999 13.748 1.00 3.34 H new ATOM 0 HG23 VAL A 120 -4.920 -2.593 13.598 1.00 3.34 H new ATOM 1772 N GLY A 121 -5.915 2.015 14.918 1.00 1.75 N ATOM 1773 CA GLY A 121 -6.933 2.996 14.559 1.00 2.04 C ATOM 1774 C GLY A 121 -6.546 4.426 14.871 1.00 1.87 C ATOM 1775 O GLY A 121 -7.137 5.071 15.736 1.00 2.02 O ATOM 0 H GLY A 121 -5.120 2.408 15.422 1.00 1.75 H new ATOM 0 HA2 GLY A 121 -7.144 2.912 13.493 1.00 2.04 H new ATOM 0 HA3 GLY A 121 -7.856 2.757 15.087 1.00 2.04 H new ATOM 1779 N GLU A 122 -5.498 4.893 14.205 1.00 2.14 N ATOM 1780 CA GLU A 122 -4.693 6.030 14.614 1.00 1.97 C ATOM 1781 C GLU A 122 -3.953 6.613 13.396 1.00 1.58 C ATOM 1782 O GLU A 122 -3.675 5.890 12.430 1.00 1.47 O ATOM 1783 CB GLU A 122 -3.766 5.512 15.720 1.00 2.15 C ATOM 1784 CG GLU A 122 -2.632 6.444 16.093 1.00 2.04 C ATOM 1785 CD GLU A 122 -2.036 5.938 17.400 1.00 2.39 C ATOM 1786 OE1 GLU A 122 -1.283 4.940 17.361 1.00 2.68 O ATOM 1787 OE2 GLU A 122 -2.417 6.503 18.455 1.00 3.46 O ATOM 0 H GLU A 122 -5.176 4.473 13.333 1.00 2.14 H new ATOM 0 HA GLU A 122 -5.285 6.857 15.006 1.00 1.97 H new ATOM 0 HB2 GLU A 122 -4.363 5.315 16.611 1.00 2.15 H new ATOM 0 HB3 GLU A 122 -3.343 4.559 15.402 1.00 2.15 H new ATOM 0 HG2 GLU A 122 -1.876 6.461 15.308 1.00 2.04 H new ATOM 0 HG3 GLU A 122 -2.996 7.465 16.207 1.00 2.04 H new ATOM 1794 N THR A 123 -3.704 7.928 13.425 1.00 1.72 N ATOM 1795 CA THR A 123 -3.089 8.694 12.330 1.00 1.80 C ATOM 1796 C THR A 123 -1.652 8.257 12.090 1.00 1.40 C ATOM 1797 O THR A 123 -0.923 8.065 13.057 1.00 1.45 O ATOM 1798 CB THR A 123 -3.092 10.193 12.650 1.00 2.28 C ATOM 1799 OG1 THR A 123 -2.444 10.394 13.886 1.00 3.32 O ATOM 1800 CG2 THR A 123 -4.498 10.781 12.748 1.00 3.23 C ATOM 0 H THR A 123 -3.931 8.507 14.234 1.00 1.72 H new ATOM 0 HA THR A 123 -3.680 8.503 11.434 1.00 1.80 H new ATOM 0 HB THR A 123 -2.578 10.697 11.831 1.00 2.28 H new ATOM 0 HG1 THR A 123 -1.798 9.673 14.038 1.00 3.32 H new ATOM 0 HG21 THR A 123 -4.432 11.845 12.976 1.00 3.23 H new ATOM 0 HG22 THR A 123 -5.016 10.645 11.799 1.00 3.23 H new ATOM 0 HG23 THR A 123 -5.050 10.273 13.539 1.00 3.23 H new ATOM 1808 N VAL A 124 -1.213 8.225 10.835 1.00 1.24 N ATOM 1809 CA VAL A 124 0.183 7.964 10.454 1.00 1.14 C ATOM 1810 C VAL A 124 0.524 8.673 9.140 1.00 0.98 C ATOM 1811 O VAL A 124 -0.306 8.807 8.241 1.00 0.90 O ATOM 1812 CB VAL A 124 0.492 6.446 10.414 1.00 1.31 C ATOM 1813 CG1 VAL A 124 -0.306 5.707 9.330 1.00 2.20 C ATOM 1814 CG2 VAL A 124 1.992 6.162 10.229 1.00 2.15 C ATOM 0 H VAL A 124 -1.825 8.382 10.034 1.00 1.24 H new ATOM 0 HA VAL A 124 0.832 8.382 11.223 1.00 1.14 H new ATOM 0 HB VAL A 124 0.181 6.065 11.387 1.00 1.31 H new ATOM 0 HG11 VAL A 124 -0.050 4.648 9.348 1.00 2.20 H new ATOM 0 HG12 VAL A 124 -1.373 5.825 9.519 1.00 2.20 H new ATOM 0 HG13 VAL A 124 -0.063 6.123 8.352 1.00 2.20 H new ATOM 0 HG21 VAL A 124 2.158 5.085 10.207 1.00 2.15 H new ATOM 0 HG22 VAL A 124 2.332 6.601 9.291 1.00 2.15 H new ATOM 0 HG23 VAL A 124 2.550 6.599 11.057 1.00 2.15 H new ATOM 1824 N ASN A 125 1.753 9.178 9.041 1.00 1.10 N ATOM 1825 CA ASN A 125 2.245 9.907 7.873 1.00 1.07 C ATOM 1826 C ASN A 125 2.630 8.910 6.753 1.00 1.02 C ATOM 1827 O ASN A 125 3.350 7.947 7.015 1.00 1.15 O ATOM 1828 CB ASN A 125 3.433 10.794 8.305 1.00 1.21 C ATOM 1829 CG ASN A 125 3.278 11.380 9.703 1.00 1.53 C ATOM 1830 OD1 ASN A 125 3.918 10.932 10.652 1.00 2.71 O ATOM 1831 ND2 ASN A 125 2.393 12.344 9.894 1.00 1.60 N ATOM 0 H ASN A 125 2.447 9.090 9.783 1.00 1.10 H new ATOM 0 HA ASN A 125 1.468 10.555 7.468 1.00 1.07 H new ATOM 0 HB2 ASN A 125 4.349 10.204 8.266 1.00 1.21 H new ATOM 0 HB3 ASN A 125 3.547 11.608 7.589 1.00 1.21 H new ATOM 0 HD21 ASN A 125 2.240 12.718 10.831 1.00 1.60 H new ATOM 0 HD22 ASN A 125 1.863 12.714 9.105 1.00 1.60 H new ATOM 1838 N ILE A 126 2.174 9.116 5.509 1.00 1.02 N ATOM 1839 CA ILE A 126 2.463 8.228 4.353 1.00 1.00 C ATOM 1840 C ILE A 126 2.840 9.052 3.120 1.00 0.97 C ATOM 1841 O ILE A 126 2.281 10.129 2.902 1.00 0.91 O ATOM 1842 CB ILE A 126 1.236 7.315 4.075 1.00 0.99 C ATOM 1843 CG1 ILE A 126 1.120 6.157 5.097 1.00 1.99 C ATOM 1844 CG2 ILE A 126 1.183 6.749 2.639 1.00 1.43 C ATOM 1845 CD1 ILE A 126 2.247 5.119 5.067 1.00 2.82 C ATOM 0 H ILE A 126 1.585 9.912 5.265 1.00 1.02 H new ATOM 0 HA ILE A 126 3.316 7.593 4.592 1.00 1.00 H new ATOM 0 HB ILE A 126 0.379 7.979 4.190 1.00 0.99 H new ATOM 0 HG12 ILE A 126 1.074 6.586 6.098 1.00 1.99 H new ATOM 0 HG13 ILE A 126 0.174 5.642 4.927 1.00 1.99 H new ATOM 0 HG21 ILE A 126 0.298 6.123 2.527 1.00 1.43 H new ATOM 0 HG22 ILE A 126 1.138 7.572 1.925 1.00 1.43 H new ATOM 0 HG23 ILE A 126 2.075 6.152 2.450 1.00 1.43 H new ATOM 0 HD11 ILE A 126 2.060 4.357 5.824 1.00 2.82 H new ATOM 0 HD12 ILE A 126 2.285 4.651 4.083 1.00 2.82 H new ATOM 0 HD13 ILE A 126 3.199 5.609 5.272 1.00 2.82 H new ATOM 1857 N THR A 127 3.758 8.543 2.280 1.00 1.08 N ATOM 1858 CA THR A 127 4.108 9.163 0.992 1.00 1.00 C ATOM 1859 C THR A 127 3.508 8.343 -0.145 1.00 0.93 C ATOM 1860 O THR A 127 3.755 7.140 -0.221 1.00 1.12 O ATOM 1861 CB THR A 127 5.627 9.285 0.830 1.00 1.04 C ATOM 1862 OG1 THR A 127 6.122 10.061 1.892 1.00 1.65 O ATOM 1863 CG2 THR A 127 6.010 10.031 -0.450 1.00 1.37 C ATOM 0 H THR A 127 4.279 7.688 2.476 1.00 1.08 H new ATOM 0 HA THR A 127 3.695 10.171 0.965 1.00 1.00 H new ATOM 0 HB THR A 127 6.036 8.275 0.804 1.00 1.04 H new ATOM 0 HG1 THR A 127 7.094 10.149 1.807 1.00 1.65 H new ATOM 0 HG21 THR A 127 7.096 10.094 -0.523 1.00 1.37 H new ATOM 0 HG22 THR A 127 5.618 9.495 -1.315 1.00 1.37 H new ATOM 0 HG23 THR A 127 5.589 11.036 -0.425 1.00 1.37 H new ATOM 1871 N LEU A 128 2.785 9.001 -1.055 1.00 0.88 N ATOM 1872 CA LEU A 128 2.291 8.394 -2.291 1.00 0.91 C ATOM 1873 C LEU A 128 2.568 9.326 -3.466 1.00 1.03 C ATOM 1874 O LEU A 128 2.055 10.439 -3.520 1.00 1.69 O ATOM 1875 CB LEU A 128 0.805 8.006 -2.138 1.00 1.08 C ATOM 1876 CG LEU A 128 -0.225 9.103 -1.789 1.00 1.79 C ATOM 1877 CD1 LEU A 128 -1.052 9.502 -3.022 1.00 2.72 C ATOM 1878 CD2 LEU A 128 -1.197 8.568 -0.725 1.00 2.40 C ATOM 0 H LEU A 128 2.524 9.982 -0.952 1.00 0.88 H new ATOM 0 HA LEU A 128 2.823 7.465 -2.499 1.00 0.91 H new ATOM 0 HB2 LEU A 128 0.488 7.543 -3.073 1.00 1.08 H new ATOM 0 HB3 LEU A 128 0.743 7.239 -1.366 1.00 1.08 H new ATOM 0 HG LEU A 128 0.323 9.972 -1.424 1.00 1.79 H new ATOM 0 HD11 LEU A 128 -1.768 10.276 -2.745 1.00 2.72 H new ATOM 0 HD12 LEU A 128 -0.388 9.883 -3.798 1.00 2.72 H new ATOM 0 HD13 LEU A 128 -1.587 8.630 -3.399 1.00 2.72 H new ATOM 0 HD21 LEU A 128 -1.925 9.340 -0.476 1.00 2.40 H new ATOM 0 HD22 LEU A 128 -1.716 7.692 -1.114 1.00 2.40 H new ATOM 0 HD23 LEU A 128 -0.640 8.293 0.171 1.00 2.40 H new ATOM 1890 N LYS A 129 3.384 8.882 -4.421 1.00 1.08 N ATOM 1891 CA LYS A 129 3.616 9.592 -5.672 1.00 1.06 C ATOM 1892 C LYS A 129 2.628 9.134 -6.754 1.00 1.01 C ATOM 1893 O LYS A 129 2.098 8.013 -6.750 1.00 1.32 O ATOM 1894 CB LYS A 129 5.089 9.434 -6.103 1.00 1.33 C ATOM 1895 CG LYS A 129 5.991 10.543 -5.531 1.00 2.08 C ATOM 1896 CD LYS A 129 7.477 10.363 -5.890 1.00 2.52 C ATOM 1897 CE LYS A 129 8.255 11.629 -5.493 1.00 3.33 C ATOM 1898 NZ LYS A 129 9.714 11.497 -5.703 1.00 3.71 N ATOM 0 H LYS A 129 3.907 8.010 -4.344 1.00 1.08 H new ATOM 0 HA LYS A 129 3.434 10.656 -5.522 1.00 1.06 H new ATOM 0 HB2 LYS A 129 5.459 8.463 -5.774 1.00 1.33 H new ATOM 0 HB3 LYS A 129 5.149 9.446 -7.191 1.00 1.33 H new ATOM 0 HG2 LYS A 129 5.649 11.509 -5.903 1.00 2.08 H new ATOM 0 HG3 LYS A 129 5.886 10.564 -4.446 1.00 2.08 H new ATOM 0 HD2 LYS A 129 7.885 9.495 -5.373 1.00 2.52 H new ATOM 0 HD3 LYS A 129 7.584 10.177 -6.959 1.00 2.52 H new ATOM 0 HE2 LYS A 129 7.884 12.474 -6.073 1.00 3.33 H new ATOM 0 HE3 LYS A 129 8.063 11.854 -4.444 1.00 3.33 H new ATOM 0 HZ1 LYS A 129 10.187 12.379 -5.419 1.00 3.71 H new ATOM 0 HZ2 LYS A 129 10.077 10.709 -5.130 1.00 3.71 H new ATOM 0 HZ3 LYS A 129 9.905 11.310 -6.708 1.00 3.71 H new ATOM 1912 N ALA A 130 2.404 10.031 -7.706 1.00 1.13 N ATOM 1913 CA ALA A 130 1.774 9.765 -8.997 1.00 1.15 C ATOM 1914 C ALA A 130 2.872 9.672 -10.067 1.00 1.21 C ATOM 1915 O ALA A 130 3.845 10.417 -9.993 1.00 1.42 O ATOM 1916 CB ALA A 130 0.770 10.880 -9.311 1.00 1.38 C ATOM 0 H ALA A 130 2.668 11.010 -7.596 1.00 1.13 H new ATOM 0 HA ALA A 130 1.228 8.822 -8.977 1.00 1.15 H new ATOM 0 HB1 ALA A 130 0.298 10.684 -10.274 1.00 1.38 H new ATOM 0 HB2 ALA A 130 0.007 10.912 -8.533 1.00 1.38 H new ATOM 0 HB3 ALA A 130 1.290 11.837 -9.350 1.00 1.38 H new ATOM 1922 N THR A 131 2.709 8.759 -11.030 1.00 1.30 N ATOM 1923 CA THR A 131 3.738 8.441 -12.040 1.00 1.56 C ATOM 1924 C THR A 131 3.907 9.503 -13.124 1.00 1.77 C ATOM 1925 O THR A 131 4.819 9.386 -13.937 1.00 2.33 O ATOM 1926 CB THR A 131 3.485 7.048 -12.623 1.00 1.98 C ATOM 1927 OG1 THR A 131 4.648 6.683 -13.321 1.00 2.52 O ATOM 1928 CG2 THR A 131 2.289 6.985 -13.576 1.00 2.33 C ATOM 0 H THR A 131 1.854 8.213 -11.136 1.00 1.30 H new ATOM 0 HA THR A 131 4.697 8.440 -11.521 1.00 1.56 H new ATOM 0 HB THR A 131 3.250 6.371 -11.802 1.00 1.98 H new ATOM 0 HG1 THR A 131 5.028 7.473 -13.759 1.00 2.52 H new ATOM 0 HG21 THR A 131 2.173 5.967 -13.948 1.00 2.33 H new ATOM 0 HG22 THR A 131 1.385 7.282 -13.045 1.00 2.33 H new ATOM 0 HG23 THR A 131 2.456 7.661 -14.415 1.00 2.33 H new ATOM 1936 N ASP A 132 3.068 10.535 -13.097 1.00 1.68 N ATOM 1937 CA ASP A 132 3.174 11.837 -13.734 1.00 2.08 C ATOM 1938 C ASP A 132 2.283 12.732 -12.847 1.00 2.40 C ATOM 1939 O ASP A 132 1.192 12.324 -12.434 1.00 3.41 O ATOM 1940 CB ASP A 132 2.702 11.828 -15.205 1.00 2.34 C ATOM 1941 CG ASP A 132 3.701 11.256 -16.228 1.00 2.89 C ATOM 1942 OD1 ASP A 132 4.905 11.607 -16.178 1.00 3.52 O ATOM 1943 OD2 ASP A 132 3.249 10.519 -17.144 1.00 3.77 O ATOM 0 H ASP A 132 2.200 10.467 -12.566 1.00 1.68 H new ATOM 0 HA ASP A 132 4.205 12.184 -13.800 1.00 2.08 H new ATOM 0 HB2 ASP A 132 1.779 11.252 -15.267 1.00 2.34 H new ATOM 0 HB3 ASP A 132 2.460 12.850 -15.495 1.00 2.34 H new ATOM 1948 N GLY A 133 2.779 13.907 -12.463 1.00 2.55 N ATOM 1949 CA GLY A 133 2.179 14.785 -11.446 1.00 2.90 C ATOM 1950 C GLY A 133 3.175 15.141 -10.339 1.00 2.82 C ATOM 1951 O GLY A 133 4.367 15.256 -10.613 1.00 3.57 O ATOM 0 H GLY A 133 3.636 14.291 -12.860 1.00 2.55 H new ATOM 0 HA2 GLY A 133 1.822 15.699 -11.921 1.00 2.90 H new ATOM 0 HA3 GLY A 133 1.311 14.293 -11.008 1.00 2.90 H new ATOM 1955 N ARG A 134 2.696 15.347 -9.098 1.00 2.63 N ATOM 1956 CA ARG A 134 3.522 15.796 -7.946 1.00 2.97 C ATOM 1957 C ARG A 134 2.841 15.588 -6.572 1.00 2.99 C ATOM 1958 O ARG A 134 2.754 16.503 -5.754 1.00 3.86 O ATOM 1959 CB ARG A 134 4.057 17.243 -8.172 1.00 3.89 C ATOM 1960 CG ARG A 134 5.507 17.447 -7.680 1.00 5.22 C ATOM 1961 CD ARG A 134 5.660 18.102 -6.300 1.00 6.17 C ATOM 1962 NE ARG A 134 5.556 19.572 -6.378 1.00 7.12 N ATOM 1963 CZ ARG A 134 5.738 20.429 -5.381 1.00 8.35 C ATOM 1964 NH1 ARG A 134 5.876 20.055 -4.130 1.00 8.98 N ATOM 1965 NH2 ARG A 134 5.792 21.721 -5.607 1.00 9.37 N ATOM 0 H ARG A 134 1.715 15.207 -8.858 1.00 2.63 H new ATOM 0 HA ARG A 134 4.392 15.140 -7.904 1.00 2.97 H new ATOM 0 HB2 ARG A 134 4.006 17.479 -9.235 1.00 3.89 H new ATOM 0 HB3 ARG A 134 3.404 17.948 -7.657 1.00 3.89 H new ATOM 0 HG2 ARG A 134 6.003 16.476 -7.657 1.00 5.22 H new ATOM 0 HG3 ARG A 134 6.036 18.058 -8.412 1.00 5.22 H new ATOM 0 HD2 ARG A 134 4.892 17.718 -5.628 1.00 6.17 H new ATOM 0 HD3 ARG A 134 6.624 17.828 -5.872 1.00 6.17 H new ATOM 0 HE ARG A 134 5.321 19.969 -7.288 1.00 7.12 H new ATOM 0 HH11 ARG A 134 5.846 19.065 -3.887 1.00 8.98 H new ATOM 0 HH12 ARG A 134 6.014 20.755 -3.401 1.00 8.98 H new ATOM 0 HH21 ARG A 134 5.694 22.077 -6.558 1.00 9.37 H new ATOM 0 HH22 ARG A 134 5.932 22.369 -4.832 1.00 9.37 H new ATOM 1979 N THR A 135 2.316 14.380 -6.345 1.00 2.72 N ATOM 1980 CA THR A 135 1.758 13.894 -5.062 1.00 2.78 C ATOM 1981 C THR A 135 2.892 13.333 -4.207 1.00 1.74 C ATOM 1982 O THR A 135 3.898 12.910 -4.763 1.00 2.67 O ATOM 1983 CB THR A 135 0.649 12.858 -5.308 1.00 4.14 C ATOM 1984 OG1 THR A 135 -0.058 13.203 -6.483 1.00 5.35 O ATOM 1985 CG2 THR A 135 -0.359 12.807 -4.157 1.00 4.81 C ATOM 0 H THR A 135 2.262 13.675 -7.080 1.00 2.72 H new ATOM 0 HA THR A 135 1.297 14.721 -4.522 1.00 2.78 H new ATOM 0 HB THR A 135 1.130 11.884 -5.397 1.00 4.14 H new ATOM 0 HG1 THR A 135 -0.765 12.544 -6.645 1.00 5.35 H new ATOM 0 HG21 THR A 135 -1.123 12.061 -4.376 1.00 4.81 H new ATOM 0 HG22 THR A 135 0.156 12.539 -3.234 1.00 4.81 H new ATOM 0 HG23 THR A 135 -0.828 13.784 -4.041 1.00 4.81 H new ATOM 1993 N LEU A 136 2.746 13.330 -2.881 1.00 1.32 N ATOM 1994 CA LEU A 136 3.763 12.886 -1.919 1.00 1.62 C ATOM 1995 C LEU A 136 3.137 12.656 -0.535 1.00 1.25 C ATOM 1996 O LEU A 136 2.274 11.793 -0.417 1.00 0.98 O ATOM 1997 CB LEU A 136 5.033 13.779 -1.947 1.00 3.24 C ATOM 1998 CG LEU A 136 4.810 15.294 -1.710 1.00 3.94 C ATOM 1999 CD1 LEU A 136 5.815 15.845 -0.686 1.00 5.18 C ATOM 2000 CD2 LEU A 136 4.945 16.092 -3.016 1.00 5.05 C ATOM 0 H LEU A 136 1.888 13.647 -2.429 1.00 1.32 H new ATOM 0 HA LEU A 136 4.141 11.910 -2.224 1.00 1.62 H new ATOM 0 HB2 LEU A 136 5.726 13.412 -1.190 1.00 3.24 H new ATOM 0 HB3 LEU A 136 5.520 13.652 -2.914 1.00 3.24 H new ATOM 0 HG LEU A 136 3.797 15.408 -1.325 1.00 3.94 H new ATOM 0 HD11 LEU A 136 5.637 16.910 -0.538 1.00 5.18 H new ATOM 0 HD12 LEU A 136 5.692 15.321 0.262 1.00 5.18 H new ATOM 0 HD13 LEU A 136 6.830 15.695 -1.055 1.00 5.18 H new ATOM 0 HD21 LEU A 136 4.783 17.151 -2.814 1.00 5.05 H new ATOM 0 HD22 LEU A 136 5.944 15.950 -3.427 1.00 5.05 H new ATOM 0 HD23 LEU A 136 4.204 15.742 -3.735 1.00 5.05 H new ATOM 2012 N ASN A 137 3.562 13.372 0.515 1.00 1.63 N ATOM 2013 CA ASN A 137 3.051 13.249 1.875 1.00 1.44 C ATOM 2014 C ASN A 137 1.539 13.512 1.894 1.00 1.50 C ATOM 2015 O ASN A 137 1.045 14.582 1.522 1.00 2.01 O ATOM 2016 CB ASN A 137 3.833 14.161 2.845 1.00 1.78 C ATOM 2017 CG ASN A 137 3.558 13.868 4.328 1.00 2.75 C ATOM 2018 OD1 ASN A 137 2.584 13.222 4.697 1.00 3.51 O ATOM 2019 ND2 ASN A 137 4.424 14.322 5.224 1.00 3.74 N ATOM 0 H ASN A 137 4.296 14.075 0.431 1.00 1.63 H new ATOM 0 HA ASN A 137 3.205 12.229 2.227 1.00 1.44 H new ATOM 0 HB2 ASN A 137 4.900 14.049 2.654 1.00 1.78 H new ATOM 0 HB3 ASN A 137 3.579 15.200 2.636 1.00 1.78 H new ATOM 0 HD21 ASN A 137 4.278 14.133 6.216 1.00 3.74 H new ATOM 0 HD22 ASN A 137 5.236 14.860 4.921 1.00 3.74 H new ATOM 2026 N VAL A 138 0.830 12.469 2.306 1.00 1.21 N ATOM 2027 CA VAL A 138 -0.620 12.396 2.529 1.00 1.44 C ATOM 2028 C VAL A 138 -0.896 11.769 3.905 1.00 1.23 C ATOM 2029 O VAL A 138 -0.209 10.842 4.338 1.00 1.05 O ATOM 2030 CB VAL A 138 -1.311 11.599 1.394 1.00 1.71 C ATOM 2031 CG1 VAL A 138 -2.796 11.308 1.679 1.00 1.97 C ATOM 2032 CG2 VAL A 138 -1.239 12.382 0.067 1.00 2.16 C ATOM 0 H VAL A 138 1.284 11.579 2.511 1.00 1.21 H new ATOM 0 HA VAL A 138 -1.037 13.403 2.516 1.00 1.44 H new ATOM 0 HB VAL A 138 -0.775 10.652 1.329 1.00 1.71 H new ATOM 0 HG11 VAL A 138 -3.223 10.748 0.847 1.00 1.97 H new ATOM 0 HG12 VAL A 138 -2.883 10.722 2.594 1.00 1.97 H new ATOM 0 HG13 VAL A 138 -3.335 12.248 1.798 1.00 1.97 H new ATOM 0 HG21 VAL A 138 -1.729 11.809 -0.721 1.00 2.16 H new ATOM 0 HG22 VAL A 138 -1.742 13.342 0.183 1.00 2.16 H new ATOM 0 HG23 VAL A 138 -0.196 12.549 -0.201 1.00 2.16 H new ATOM 2042 N ALA A 139 -1.912 12.289 4.603 1.00 1.58 N ATOM 2043 CA ALA A 139 -2.337 11.834 5.927 1.00 1.68 C ATOM 2044 C ALA A 139 -3.149 10.526 5.846 1.00 1.76 C ATOM 2045 O ALA A 139 -4.225 10.485 5.251 1.00 2.09 O ATOM 2046 CB ALA A 139 -3.129 12.967 6.591 1.00 2.16 C ATOM 0 H ALA A 139 -2.477 13.061 4.249 1.00 1.58 H new ATOM 0 HA ALA A 139 -1.464 11.600 6.536 1.00 1.68 H new ATOM 0 HB1 ALA A 139 -3.457 12.650 7.581 1.00 2.16 H new ATOM 0 HB2 ALA A 139 -2.495 13.849 6.684 1.00 2.16 H new ATOM 0 HB3 ALA A 139 -3.999 13.209 5.981 1.00 2.16 H new ATOM 2052 N ALA A 140 -2.624 9.477 6.478 1.00 1.63 N ATOM 2053 CA ALA A 140 -3.118 8.097 6.446 1.00 1.64 C ATOM 2054 C ALA A 140 -3.315 7.526 7.859 1.00 1.45 C ATOM 2055 O ALA A 140 -3.171 8.244 8.860 1.00 1.50 O ATOM 2056 CB ALA A 140 -2.104 7.289 5.638 1.00 1.68 C ATOM 0 H ALA A 140 -1.793 9.571 7.061 1.00 1.63 H new ATOM 0 HA ALA A 140 -4.103 8.051 5.981 1.00 1.64 H new ATOM 0 HB1 ALA A 140 -2.427 6.249 5.584 1.00 1.68 H new ATOM 0 HB2 ALA A 140 -2.032 7.699 4.631 1.00 1.68 H new ATOM 0 HB3 ALA A 140 -1.129 7.341 6.122 1.00 1.68 H new ATOM 2062 N THR A 141 -3.649 6.230 7.934 1.00 1.35 N ATOM 2063 CA THR A 141 -4.171 5.573 9.139 1.00 1.24 C ATOM 2064 C THR A 141 -3.551 4.189 9.331 1.00 1.20 C ATOM 2065 O THR A 141 -3.457 3.396 8.395 1.00 1.18 O ATOM 2066 CB THR A 141 -5.707 5.452 9.066 1.00 1.34 C ATOM 2067 OG1 THR A 141 -6.294 6.522 8.349 1.00 1.44 O ATOM 2068 CG2 THR A 141 -6.345 5.497 10.454 1.00 1.47 C ATOM 0 H THR A 141 -3.561 5.596 7.140 1.00 1.35 H new ATOM 0 HA THR A 141 -3.900 6.191 9.995 1.00 1.24 H new ATOM 0 HB THR A 141 -5.888 4.498 8.570 1.00 1.34 H new ATOM 0 HG1 THR A 141 -7.267 6.405 8.325 1.00 1.44 H new ATOM 0 HG21 THR A 141 -7.427 5.409 10.360 1.00 1.47 H new ATOM 0 HG22 THR A 141 -5.965 4.672 11.056 1.00 1.47 H new ATOM 0 HG23 THR A 141 -6.099 6.442 10.937 1.00 1.47 H new ATOM 2076 N VAL A 142 -3.202 3.860 10.571 1.00 1.31 N ATOM 2077 CA VAL A 142 -3.096 2.455 10.999 1.00 1.21 C ATOM 2078 C VAL A 142 -4.506 1.937 11.252 1.00 1.39 C ATOM 2079 O VAL A 142 -5.248 2.543 12.015 1.00 1.43 O ATOM 2080 CB VAL A 142 -2.187 2.264 12.235 1.00 1.11 C ATOM 2081 CG1 VAL A 142 -2.768 2.715 13.571 1.00 2.71 C ATOM 2082 CG2 VAL A 142 -1.702 0.813 12.364 1.00 1.90 C ATOM 0 H VAL A 142 -2.987 4.539 11.301 1.00 1.31 H new ATOM 0 HA VAL A 142 -2.616 1.880 10.208 1.00 1.21 H new ATOM 0 HB VAL A 142 -1.353 2.935 12.030 1.00 1.11 H new ATOM 0 HG11 VAL A 142 -2.042 2.532 14.364 1.00 2.71 H new ATOM 0 HG12 VAL A 142 -2.997 3.780 13.527 1.00 2.71 H new ATOM 0 HG13 VAL A 142 -3.680 2.156 13.778 1.00 2.71 H new ATOM 0 HG21 VAL A 142 -1.066 0.719 13.244 1.00 1.90 H new ATOM 0 HG22 VAL A 142 -2.561 0.150 12.464 1.00 1.90 H new ATOM 0 HG23 VAL A 142 -1.134 0.539 11.475 1.00 1.90 H new ATOM 2092 N LYS A 143 -4.862 0.824 10.620 1.00 1.70 N ATOM 2093 CA LYS A 143 -6.145 0.121 10.793 1.00 2.03 C ATOM 2094 C LYS A 143 -6.104 -1.220 10.068 1.00 2.75 C ATOM 2095 O LYS A 143 -6.423 -1.304 8.885 1.00 3.60 O ATOM 2096 CB LYS A 143 -7.360 0.987 10.377 1.00 2.32 C ATOM 2097 CG LYS A 143 -8.705 0.290 10.655 1.00 2.28 C ATOM 2098 CD LYS A 143 -9.891 1.210 10.332 1.00 2.84 C ATOM 2099 CE LYS A 143 -11.221 0.467 10.530 1.00 2.94 C ATOM 2100 NZ LYS A 143 -12.381 1.365 10.311 1.00 3.71 N ATOM 0 H LYS A 143 -4.249 0.363 9.947 1.00 1.70 H new ATOM 0 HA LYS A 143 -6.285 -0.073 11.856 1.00 2.03 H new ATOM 0 HB2 LYS A 143 -7.328 1.935 10.915 1.00 2.32 H new ATOM 0 HB3 LYS A 143 -7.289 1.221 9.315 1.00 2.32 H new ATOM 0 HG2 LYS A 143 -8.775 -0.619 10.058 1.00 2.28 H new ATOM 0 HG3 LYS A 143 -8.751 -0.011 11.702 1.00 2.28 H new ATOM 0 HD2 LYS A 143 -9.861 2.090 10.974 1.00 2.84 H new ATOM 0 HD3 LYS A 143 -9.815 1.563 9.304 1.00 2.84 H new ATOM 0 HE2 LYS A 143 -11.275 -0.375 9.840 1.00 2.94 H new ATOM 0 HE3 LYS A 143 -11.263 0.056 11.538 1.00 2.94 H new ATOM 0 HZ1 LYS A 143 -13.263 0.833 10.452 1.00 3.71 H new ATOM 0 HZ2 LYS A 143 -12.341 2.155 10.986 1.00 3.71 H new ATOM 0 HZ3 LYS A 143 -12.353 1.738 9.340 1.00 3.71 H new ATOM 2114 N LYS A 144 -5.713 -2.282 10.789 1.00 2.73 N ATOM 2115 CA LYS A 144 -5.753 -3.681 10.306 1.00 3.37 C ATOM 2116 C LYS A 144 -5.300 -4.657 11.396 1.00 2.08 C ATOM 2117 O LYS A 144 -4.300 -4.420 12.067 1.00 3.06 O ATOM 2118 CB LYS A 144 -4.924 -3.914 9.008 1.00 5.65 C ATOM 2119 CG LYS A 144 -5.751 -4.305 7.766 1.00 7.37 C ATOM 2120 CD LYS A 144 -6.396 -5.706 7.748 1.00 8.15 C ATOM 2121 CE LYS A 144 -5.377 -6.856 7.720 1.00 9.07 C ATOM 2122 NZ LYS A 144 -6.035 -8.161 7.442 1.00 10.00 N ATOM 0 H LYS A 144 -5.354 -2.197 11.740 1.00 2.73 H new ATOM 0 HA LYS A 144 -6.796 -3.874 10.056 1.00 3.37 H new ATOM 0 HB2 LYS A 144 -4.367 -3.005 8.783 1.00 5.65 H new ATOM 0 HB3 LYS A 144 -4.191 -4.698 9.199 1.00 5.65 H new ATOM 0 HG2 LYS A 144 -6.545 -3.568 7.646 1.00 7.37 H new ATOM 0 HG3 LYS A 144 -5.104 -4.222 6.892 1.00 7.37 H new ATOM 0 HD2 LYS A 144 -7.030 -5.816 8.628 1.00 8.15 H new ATOM 0 HD3 LYS A 144 -7.045 -5.786 6.876 1.00 8.15 H new ATOM 0 HE2 LYS A 144 -4.624 -6.657 6.958 1.00 9.07 H new ATOM 0 HE3 LYS A 144 -4.857 -6.906 8.677 1.00 9.07 H new ATOM 0 HZ1 LYS A 144 -5.770 -8.847 8.177 1.00 10.00 H new ATOM 0 HZ2 LYS A 144 -7.067 -8.036 7.442 1.00 10.00 H new ATOM 0 HZ3 LYS A 144 -5.729 -8.513 6.513 1.00 10.00 H new ATOM 2136 N ASN A 145 -6.013 -5.772 11.503 1.00 2.05 N ATOM 2137 CA ASN A 145 -5.747 -6.870 12.441 1.00 2.48 C ATOM 2138 C ASN A 145 -4.588 -7.757 11.933 1.00 2.43 C ATOM 2139 O ASN A 145 -4.548 -8.069 10.737 1.00 3.08 O ATOM 2140 CB ASN A 145 -7.059 -7.665 12.601 1.00 3.98 C ATOM 2141 CG ASN A 145 -6.947 -8.816 13.592 1.00 5.12 C ATOM 2142 OD1 ASN A 145 -6.723 -9.961 13.227 1.00 5.37 O ATOM 2143 ND2 ASN A 145 -7.102 -8.553 14.870 1.00 6.41 N ATOM 0 H ASN A 145 -6.828 -5.949 10.916 1.00 2.05 H new ATOM 0 HA ASN A 145 -5.431 -6.486 13.411 1.00 2.48 H new ATOM 0 HB2 ASN A 145 -7.849 -6.988 12.928 1.00 3.98 H new ATOM 0 HB3 ASN A 145 -7.358 -8.058 11.630 1.00 3.98 H new ATOM 0 HD21 ASN A 145 -7.035 -9.304 15.557 1.00 6.41 H new ATOM 0 HD22 ASN A 145 -7.289 -7.598 15.175 1.00 6.41 H new ATOM 2150 N ILE A 146 -3.703 -8.177 12.850 1.00 2.65 N ATOM 2151 CA ILE A 146 -2.576 -9.127 12.685 1.00 3.27 C ATOM 2152 C ILE A 146 -1.757 -9.263 13.985 1.00 3.95 C ATOM 2153 O ILE A 146 -1.228 -10.344 14.237 1.00 4.73 O ATOM 2154 CB ILE A 146 -1.660 -8.787 11.472 1.00 3.61 C ATOM 2155 CG1 ILE A 146 -0.653 -9.930 11.208 1.00 4.65 C ATOM 2156 CG2 ILE A 146 -0.929 -7.446 11.663 1.00 5.07 C ATOM 2157 CD1 ILE A 146 0.053 -9.830 9.850 1.00 5.20 C ATOM 0 H ILE A 146 -3.756 -7.836 13.810 1.00 2.65 H new ATOM 0 HA ILE A 146 -3.027 -10.095 12.465 1.00 3.27 H new ATOM 0 HB ILE A 146 -2.303 -8.684 10.598 1.00 3.61 H new ATOM 0 HG12 ILE A 146 0.098 -9.930 11.998 1.00 4.65 H new ATOM 0 HG13 ILE A 146 -1.177 -10.884 11.266 1.00 4.65 H new ATOM 0 HG21 ILE A 146 -0.301 -7.247 10.795 1.00 5.07 H new ATOM 0 HG22 ILE A 146 -1.660 -6.645 11.773 1.00 5.07 H new ATOM 0 HG23 ILE A 146 -0.307 -7.495 12.557 1.00 5.07 H new ATOM 0 HD11 ILE A 146 0.744 -10.666 9.737 1.00 5.20 H new ATOM 0 HD12 ILE A 146 -0.688 -9.861 9.051 1.00 5.20 H new ATOM 0 HD13 ILE A 146 0.606 -8.892 9.796 1.00 5.20 H new ATOM 2169 N GLU A 147 -1.712 -8.199 14.802 1.00 4.10 N ATOM 2170 CA GLU A 147 -1.066 -8.057 16.123 1.00 5.09 C ATOM 2171 C GLU A 147 -1.460 -9.201 17.095 1.00 4.44 C ATOM 2172 O GLU A 147 -0.699 -9.603 17.983 1.00 5.41 O ATOM 2173 CB GLU A 147 -1.404 -6.640 16.677 1.00 6.65 C ATOM 2174 CG GLU A 147 -2.775 -6.548 17.449 1.00 8.10 C ATOM 2175 CD GLU A 147 -4.131 -6.737 16.706 1.00 8.74 C ATOM 2176 OE1 GLU A 147 -4.092 -7.196 15.535 1.00 8.63 O ATOM 2177 OE2 GLU A 147 -5.209 -6.452 17.297 1.00 9.77 O ATOM 0 H GLU A 147 -2.171 -7.330 14.530 1.00 4.10 H new ATOM 0 HA GLU A 147 0.015 -8.147 16.019 1.00 5.09 H new ATOM 0 HB2 GLU A 147 -0.603 -6.325 17.346 1.00 6.65 H new ATOM 0 HB3 GLU A 147 -1.421 -5.934 15.847 1.00 6.65 H new ATOM 0 HG2 GLU A 147 -2.742 -7.290 18.246 1.00 8.10 H new ATOM 0 HG3 GLU A 147 -2.807 -5.569 17.926 1.00 8.10 H new ATOM 2184 N GLY A 148 -2.673 -9.734 16.908 1.00 3.78 N ATOM 2185 CA GLY A 148 -3.257 -10.916 17.576 1.00 4.42 C ATOM 2186 C GLY A 148 -3.683 -10.682 19.035 1.00 5.20 C ATOM 2187 O GLY A 148 -4.669 -11.282 19.462 1.00 6.06 O ATOM 0 H GLY A 148 -3.324 -9.325 16.238 1.00 3.78 H new ATOM 0 HA2 GLY A 148 -4.126 -11.247 17.006 1.00 4.42 H new ATOM 0 HA3 GLY A 148 -2.530 -11.728 17.549 1.00 4.42 H new ATOM 2191 N ARG A 149 -2.948 -9.818 19.757 1.00 5.24 N ATOM 2192 CA ARG A 149 -3.028 -9.423 21.186 1.00 6.25 C ATOM 2193 C ARG A 149 -4.189 -10.046 21.956 1.00 7.52 C ATOM 2194 O ARG A 149 -3.895 -11.100 22.533 1.00 7.96 O ATOM 2195 CB ARG A 149 -2.912 -7.891 21.272 1.00 7.00 C ATOM 2196 CG ARG A 149 -2.661 -7.328 22.683 1.00 8.09 C ATOM 2197 CD ARG A 149 -3.894 -7.190 23.581 1.00 9.43 C ATOM 2198 NE ARG A 149 -4.947 -6.407 22.911 1.00 10.64 N ATOM 2199 CZ ARG A 149 -5.540 -5.309 23.340 1.00 12.05 C ATOM 2200 NH1 ARG A 149 -5.410 -4.892 24.564 1.00 12.55 N ATOM 2201 NH2 ARG A 149 -6.255 -4.583 22.527 1.00 13.31 N ATOM 2202 OXT ARG A 149 -5.311 -9.464 21.986 1.00 8.56 O ATOM 0 H ARG A 149 -2.187 -9.314 19.301 1.00 5.24 H new ATOM 0 HA ARG A 149 -2.183 -9.853 21.724 1.00 6.25 H new ATOM 0 HB2 ARG A 149 -2.101 -7.567 20.620 1.00 7.00 H new ATOM 0 HB3 ARG A 149 -3.830 -7.451 20.881 1.00 7.00 H new ATOM 0 HG2 ARG A 149 -1.940 -7.972 23.186 1.00 8.09 H new ATOM 0 HG3 ARG A 149 -2.197 -6.347 22.584 1.00 8.09 H new ATOM 0 HD2 ARG A 149 -4.276 -8.179 23.835 1.00 9.43 H new ATOM 0 HD3 ARG A 149 -3.615 -6.706 24.517 1.00 9.43 H new ATOM 0 HE ARG A 149 -5.256 -6.757 22.004 1.00 10.64 H new ATOM 0 HH11 ARG A 149 -4.836 -5.418 25.224 1.00 12.55 H new ATOM 0 HH12 ARG A 149 -5.881 -4.039 24.865 1.00 12.55 H new ATOM 0 HH21 ARG A 149 -6.359 -4.862 21.552 1.00 13.31 H new ATOM 0 HH22 ARG A 149 -6.710 -3.736 22.866 1.00 13.31 H new TER 2216 ARG A 149