USER MOD reduce.3.24.130724 H: found=0, std=0, add=975, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 971 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 61 ASN : amide:sc= -1.23 X(o=-1.7,f=-2!) USER MOD Set 1.2: A 66 THR OG1 : rot -149:sc= -0.437 USER MOD Set 2.1: A 10 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 35 HIS : no HE2:sc= -1.64 K(o=-1.6,f=-4.1!) USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.0697 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 155:sc= -0.371 (180deg=-1.35) USER MOD Single : A 6 SER OG : rot 180:sc= -0.0204 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.0908 X(o=-0.091,f=-0.074) USER MOD Single : A 15 CYS SG : rot -93:sc= -0.262 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0281 USER MOD Single : A 18 MET CE :methyl 137:sc= -0.284 (180deg=-2.28) USER MOD Single : A 19 LYS NZ :NH3+ -172:sc=-0.000249 (180deg=-0.0733) USER MOD Single : A 20 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00976) USER MOD Single : A 28 HIS : no HD1:sc= -0.38 X(o=-0.38,f=-0.076) USER MOD Single : A 32 TYR OH : rot 30:sc= -0.755 USER MOD Single : A 33 THR OG1 : rot 75:sc= 0.393 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 161:sc= -0.0256 (180deg=-0.195) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0796 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 79:sc= 0.348 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.0668 K(o=-0.067,f=-1.7!) USER MOD Single : A 82 SER OG : rot 132:sc= 0.0404 USER MOD Single : A 87 MET CE :methyl 159:sc= -0.95 (180deg=-2.01) USER MOD Single : A 90 GLN : amide:sc= -0.0428 X(o=-0.043,f=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0271) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 MET CE :methyl 164:sc= -0.0108 (180deg=-0.246) USER MOD Single : A 110 LYS NZ :NH3+ 164:sc=-0.00738 (180deg=-0.12) USER MOD Single : A 113 GLN : amide:sc= -0.0367 X(o=-0.037,f=-0.037) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.558 -2.428 -11.892 1.00 42.31 N ATOM 2 CA GLY A 1 -8.068 -3.030 -10.666 1.00 53.12 C ATOM 3 C GLY A 1 -7.125 -2.116 -9.909 1.00 15.32 C ATOM 4 O GLY A 1 -6.814 -1.008 -10.346 1.00 30.13 O ATOM 0 H1 GLY A 1 -9.592 -2.329 -11.841 1.00 42.31 H new ATOM 0 H2 GLY A 1 -8.126 -1.490 -12.015 1.00 42.31 H new ATOM 0 H3 GLY A 1 -8.308 -3.033 -12.700 1.00 42.31 H new ATOM 0 HA2 GLY A 1 -8.913 -3.285 -10.027 1.00 53.12 H new ATOM 0 HA3 GLY A 1 -7.554 -3.962 -10.902 1.00 53.12 H new ATOM 8 N PRO A 2 -6.653 -2.581 -8.741 1.00 31.21 N ATOM 9 CA PRO A 2 -5.735 -1.813 -7.896 1.00 52.14 C ATOM 10 C PRO A 2 -4.348 -1.683 -8.517 1.00 61.23 C ATOM 11 O PRO A 2 -4.079 -2.237 -9.581 1.00 11.13 O ATOM 12 CB PRO A 2 -5.669 -2.635 -6.606 1.00 12.20 C ATOM 13 CG PRO A 2 -6.001 -4.025 -7.026 1.00 2.10 C ATOM 14 CD PRO A 2 -6.982 -3.893 -8.159 1.00 41.33 C ATOM 0 HA PRO A 2 -6.077 -0.789 -7.748 1.00 52.14 H new ATOM 0 HB2 PRO A 2 -4.678 -2.584 -6.154 1.00 12.20 H new ATOM 0 HB3 PRO A 2 -6.377 -2.266 -5.864 1.00 12.20 H new ATOM 0 HG2 PRO A 2 -5.107 -4.560 -7.345 1.00 2.10 H new ATOM 0 HG3 PRO A 2 -6.433 -4.590 -6.200 1.00 2.10 H new ATOM 0 HD2 PRO A 2 -6.866 -4.696 -8.887 1.00 41.33 H new ATOM 0 HD3 PRO A 2 -8.012 -3.929 -7.805 1.00 41.33 H new ATOM 22 N GLY A 3 -3.470 -0.946 -7.843 1.00 13.22 N ATOM 23 CA GLY A 3 -2.121 -0.757 -8.343 1.00 45.42 C ATOM 24 C GLY A 3 -2.011 0.430 -9.280 1.00 62.35 C ATOM 25 O GLY A 3 -2.533 0.400 -10.395 1.00 22.31 O ATOM 0 H GLY A 3 -3.669 -0.477 -6.960 1.00 13.22 H new ATOM 0 HA2 GLY A 3 -1.442 -0.617 -7.502 1.00 45.42 H new ATOM 0 HA3 GLY A 3 -1.800 -1.659 -8.865 1.00 45.42 H new ATOM 29 N SER A 4 -1.332 1.478 -8.827 1.00 25.24 N ATOM 30 CA SER A 4 -1.161 2.684 -9.631 1.00 42.22 C ATOM 31 C SER A 4 -0.497 2.357 -10.965 1.00 24.33 C ATOM 32 O SER A 4 -0.699 3.054 -11.959 1.00 52.03 O ATOM 33 CB SER A 4 -0.323 3.713 -8.870 1.00 72.23 C ATOM 34 OG SER A 4 -0.420 4.993 -9.472 1.00 52.43 O ATOM 0 H SER A 4 -0.891 1.518 -7.908 1.00 25.24 H new ATOM 0 HA SER A 4 -2.147 3.103 -9.829 1.00 42.22 H new ATOM 0 HB2 SER A 4 -0.660 3.768 -7.835 1.00 72.23 H new ATOM 0 HB3 SER A 4 0.719 3.395 -8.850 1.00 72.23 H new ATOM 0 HG SER A 4 0.123 5.634 -8.967 1.00 52.43 H new ATOM 40 N MET A 5 0.298 1.291 -10.978 1.00 41.54 N ATOM 41 CA MET A 5 0.991 0.869 -12.191 1.00 62.03 C ATOM 42 C MET A 5 0.025 0.202 -13.165 1.00 45.23 C ATOM 43 O MET A 5 -0.161 -1.014 -13.132 1.00 4.24 O ATOM 44 CB MET A 5 2.130 -0.091 -11.845 1.00 51.55 C ATOM 45 CG MET A 5 2.931 -0.544 -13.054 1.00 30.02 C ATOM 46 SD MET A 5 3.775 -2.114 -12.779 1.00 52.10 S ATOM 47 CE MET A 5 2.381 -3.206 -12.510 1.00 3.41 C ATOM 0 H MET A 5 0.478 0.704 -10.163 1.00 41.54 H new ATOM 0 HA MET A 5 1.406 1.756 -12.670 1.00 62.03 H new ATOM 0 HB2 MET A 5 2.801 0.395 -11.136 1.00 51.55 H new ATOM 0 HB3 MET A 5 1.717 -0.967 -11.344 1.00 51.55 H new ATOM 0 HG2 MET A 5 2.265 -0.639 -13.911 1.00 30.02 H new ATOM 0 HG3 MET A 5 3.666 0.220 -13.305 1.00 30.02 H new ATOM 0 HE1 MET A 5 2.665 -4.227 -12.764 1.00 3.41 H new ATOM 0 HE2 MET A 5 2.081 -3.162 -11.463 1.00 3.41 H new ATOM 0 HE3 MET A 5 1.548 -2.894 -13.140 1.00 3.41 H new ATOM 57 N SER A 6 -0.586 1.006 -14.029 1.00 44.34 N ATOM 58 CA SER A 6 -1.535 0.492 -15.010 1.00 64.43 C ATOM 59 C SER A 6 -0.923 0.486 -16.407 1.00 62.14 C ATOM 60 O SER A 6 -0.965 1.490 -17.120 1.00 73.31 O ATOM 61 CB SER A 6 -2.813 1.334 -15.004 1.00 31.11 C ATOM 62 OG SER A 6 -3.500 1.226 -16.239 1.00 14.24 O ATOM 0 H SER A 6 -0.441 2.015 -14.070 1.00 44.34 H new ATOM 0 HA SER A 6 -1.783 -0.534 -14.737 1.00 64.43 H new ATOM 0 HB2 SER A 6 -3.464 1.008 -14.193 1.00 31.11 H new ATOM 0 HB3 SER A 6 -2.564 2.378 -14.813 1.00 31.11 H new ATOM 0 HG SER A 6 -4.313 1.772 -16.210 1.00 14.24 H new ATOM 68 N VAL A 7 -0.355 -0.651 -16.794 1.00 10.34 N ATOM 69 CA VAL A 7 0.265 -0.790 -18.106 1.00 2.44 C ATOM 70 C VAL A 7 -0.757 -1.210 -19.155 1.00 5.32 C ATOM 71 O VAL A 7 -1.916 -1.479 -18.837 1.00 24.25 O ATOM 72 CB VAL A 7 1.410 -1.821 -18.079 1.00 52.12 C ATOM 73 CG1 VAL A 7 2.579 -1.301 -17.257 1.00 54.24 C ATOM 74 CG2 VAL A 7 0.915 -3.152 -17.533 1.00 43.52 C ATOM 0 H VAL A 7 -0.311 -1.491 -16.217 1.00 10.34 H new ATOM 0 HA VAL A 7 0.671 0.187 -18.369 1.00 2.44 H new ATOM 0 HB VAL A 7 1.757 -1.979 -19.100 1.00 52.12 H new ATOM 0 HG11 VAL A 7 3.377 -2.043 -17.250 1.00 54.24 H new ATOM 0 HG12 VAL A 7 2.949 -0.374 -17.696 1.00 54.24 H new ATOM 0 HG13 VAL A 7 2.250 -1.112 -16.235 1.00 54.24 H new ATOM 0 HG21 VAL A 7 1.736 -3.868 -17.521 1.00 43.52 H new ATOM 0 HG22 VAL A 7 0.540 -3.013 -16.519 1.00 43.52 H new ATOM 0 HG23 VAL A 7 0.113 -3.530 -18.167 1.00 43.52 H new ATOM 84 N THR A 8 -0.321 -1.263 -20.410 1.00 15.13 N ATOM 85 CA THR A 8 -1.198 -1.648 -21.509 1.00 55.12 C ATOM 86 C THR A 8 -0.647 -2.860 -22.253 1.00 32.31 C ATOM 87 O THR A 8 0.530 -2.897 -22.609 1.00 11.22 O ATOM 88 CB THR A 8 -1.391 -0.490 -22.507 1.00 32.32 C ATOM 89 OG1 THR A 8 -1.930 0.652 -21.833 1.00 2.03 O ATOM 90 CG2 THR A 8 -2.318 -0.902 -23.640 1.00 55.11 C ATOM 0 H THR A 8 0.635 -1.044 -20.691 1.00 15.13 H new ATOM 0 HA THR A 8 -2.162 -1.902 -21.070 1.00 55.12 H new ATOM 0 HB THR A 8 -0.419 -0.236 -22.929 1.00 32.32 H new ATOM 0 HG1 THR A 8 -2.048 1.384 -22.473 1.00 2.03 H new ATOM 0 HG21 THR A 8 -2.439 -0.069 -24.332 1.00 55.11 H new ATOM 0 HG22 THR A 8 -1.890 -1.754 -24.169 1.00 55.11 H new ATOM 0 HG23 THR A 8 -3.290 -1.180 -23.232 1.00 55.11 H new ATOM 98 N ILE A 9 -1.506 -3.847 -22.484 1.00 40.31 N ATOM 99 CA ILE A 9 -1.106 -5.058 -23.188 1.00 3.44 C ATOM 100 C ILE A 9 -1.832 -5.184 -24.523 1.00 62.44 C ATOM 101 O ILE A 9 -3.033 -4.931 -24.615 1.00 5.32 O ATOM 102 CB ILE A 9 -1.382 -6.317 -22.345 1.00 0.54 C ATOM 103 CG1 ILE A 9 -1.038 -7.577 -23.142 1.00 33.21 C ATOM 104 CG2 ILE A 9 -2.837 -6.346 -21.899 1.00 54.44 C ATOM 105 CD1 ILE A 9 -1.163 -8.852 -22.337 1.00 32.30 C ATOM 0 H ILE A 9 -2.484 -3.831 -22.194 1.00 40.31 H new ATOM 0 HA ILE A 9 -0.034 -4.979 -23.367 1.00 3.44 H new ATOM 0 HB ILE A 9 -0.750 -6.288 -21.457 1.00 0.54 H new ATOM 0 HG12 ILE A 9 -1.694 -7.639 -24.010 1.00 33.21 H new ATOM 0 HG13 ILE A 9 -0.019 -7.493 -23.518 1.00 33.21 H new ATOM 0 HG21 ILE A 9 -3.017 -7.241 -21.304 1.00 54.44 H new ATOM 0 HG22 ILE A 9 -3.051 -5.462 -21.298 1.00 54.44 H new ATOM 0 HG23 ILE A 9 -3.486 -6.355 -22.775 1.00 54.44 H new ATOM 0 HD11 ILE A 9 -0.904 -9.705 -22.964 1.00 32.30 H new ATOM 0 HD12 ILE A 9 -0.487 -8.811 -21.483 1.00 32.30 H new ATOM 0 HD13 ILE A 9 -2.188 -8.960 -21.983 1.00 32.30 H new ATOM 117 N TYR A 10 -1.095 -5.579 -25.555 1.00 4.54 N ATOM 118 CA TYR A 10 -1.669 -5.739 -26.887 1.00 30.24 C ATOM 119 C TYR A 10 -1.759 -7.213 -27.267 1.00 22.21 C ATOM 120 O TYR A 10 -0.847 -7.994 -26.995 1.00 41.11 O ATOM 121 CB TYR A 10 -0.831 -4.985 -27.920 1.00 22.32 C ATOM 122 CG TYR A 10 -1.099 -3.497 -27.947 1.00 34.41 C ATOM 123 CD1 TYR A 10 -0.854 -2.705 -26.832 1.00 15.21 C ATOM 124 CD2 TYR A 10 -1.598 -2.882 -29.090 1.00 54.11 C ATOM 125 CE1 TYR A 10 -1.099 -1.346 -26.854 1.00 22.30 C ATOM 126 CE2 TYR A 10 -1.844 -1.524 -29.120 1.00 20.31 C ATOM 127 CZ TYR A 10 -1.594 -0.760 -28.000 1.00 60.44 C ATOM 128 OH TYR A 10 -1.838 0.595 -28.026 1.00 41.33 O ATOM 0 H TYR A 10 -0.100 -5.794 -25.496 1.00 4.54 H new ATOM 0 HA TYR A 10 -2.677 -5.324 -26.873 1.00 30.24 H new ATOM 0 HB2 TYR A 10 0.226 -5.152 -27.710 1.00 22.32 H new ATOM 0 HB3 TYR A 10 -1.029 -5.399 -28.909 1.00 22.32 H new ATOM 0 HD1 TYR A 10 -0.465 -3.160 -25.933 1.00 15.21 H new ATOM 0 HD2 TYR A 10 -1.796 -3.477 -29.969 1.00 54.11 H new ATOM 0 HE1 TYR A 10 -0.904 -0.745 -25.978 1.00 22.30 H new ATOM 0 HE2 TYR A 10 -2.230 -1.062 -30.017 1.00 20.31 H new ATOM 0 HH TYR A 10 -2.183 0.848 -28.907 1.00 41.33 H new ATOM 138 N GLY A 11 -2.867 -7.588 -27.900 1.00 41.24 N ATOM 139 CA GLY A 11 -3.058 -8.967 -28.309 1.00 3.41 C ATOM 140 C GLY A 11 -4.149 -9.118 -29.349 1.00 42.14 C ATOM 141 O GLY A 11 -4.620 -8.129 -29.913 1.00 61.14 O ATOM 0 H GLY A 11 -3.636 -6.961 -28.137 1.00 41.24 H new ATOM 0 HA2 GLY A 11 -2.122 -9.357 -28.710 1.00 3.41 H new ATOM 0 HA3 GLY A 11 -3.307 -9.570 -27.436 1.00 3.41 H new ATOM 145 N ILE A 12 -4.553 -10.357 -29.606 1.00 0.23 N ATOM 146 CA ILE A 12 -5.595 -10.633 -30.587 1.00 21.20 C ATOM 147 C ILE A 12 -6.662 -11.559 -30.010 1.00 0.25 C ATOM 148 O ILE A 12 -6.548 -12.024 -28.876 1.00 72.24 O ATOM 149 CB ILE A 12 -5.015 -11.270 -31.863 1.00 70.51 C ATOM 150 CG1 ILE A 12 -4.481 -12.672 -31.562 1.00 34.24 C ATOM 151 CG2 ILE A 12 -3.915 -10.392 -32.440 1.00 63.31 C ATOM 152 CD1 ILE A 12 -3.900 -13.371 -32.771 1.00 42.40 C ATOM 0 H ILE A 12 -4.174 -11.186 -29.148 1.00 0.23 H new ATOM 0 HA ILE A 12 -6.047 -9.675 -30.843 1.00 21.20 H new ATOM 0 HB ILE A 12 -5.811 -11.356 -32.603 1.00 70.51 H new ATOM 0 HG12 ILE A 12 -3.715 -12.602 -30.790 1.00 34.24 H new ATOM 0 HG13 ILE A 12 -5.289 -13.280 -31.155 1.00 34.24 H new ATOM 0 HG21 ILE A 12 -3.515 -10.856 -33.342 1.00 63.31 H new ATOM 0 HG22 ILE A 12 -4.323 -9.412 -32.687 1.00 63.31 H new ATOM 0 HG23 ILE A 12 -3.117 -10.278 -31.706 1.00 63.31 H new ATOM 0 HD11 ILE A 12 -3.541 -14.359 -32.483 1.00 42.40 H new ATOM 0 HD12 ILE A 12 -4.669 -13.473 -33.537 1.00 42.40 H new ATOM 0 HD13 ILE A 12 -3.070 -12.785 -33.166 1.00 42.40 H new ATOM 164 N LYS A 13 -7.697 -11.824 -30.799 1.00 73.52 N ATOM 165 CA LYS A 13 -8.783 -12.697 -30.369 1.00 71.53 C ATOM 166 C LYS A 13 -8.734 -14.029 -31.108 1.00 42.41 C ATOM 167 O LYS A 13 -7.908 -14.226 -31.998 1.00 70.40 O ATOM 168 CB LYS A 13 -10.134 -12.018 -30.608 1.00 10.01 C ATOM 169 CG LYS A 13 -10.468 -11.829 -32.078 1.00 12.21 C ATOM 170 CD LYS A 13 -11.423 -10.666 -32.287 1.00 11.45 C ATOM 171 CE LYS A 13 -11.579 -10.332 -33.763 1.00 71.10 C ATOM 172 NZ LYS A 13 -12.683 -11.108 -34.393 1.00 71.14 N ATOM 0 H LYS A 13 -7.807 -11.447 -31.740 1.00 73.52 H new ATOM 0 HA LYS A 13 -8.663 -12.889 -29.303 1.00 71.53 H new ATOM 0 HB2 LYS A 13 -10.918 -12.613 -30.139 1.00 10.01 H new ATOM 0 HB3 LYS A 13 -10.135 -11.045 -30.116 1.00 10.01 H new ATOM 0 HG2 LYS A 13 -9.551 -11.654 -32.641 1.00 12.21 H new ATOM 0 HG3 LYS A 13 -10.914 -12.743 -32.471 1.00 12.21 H new ATOM 0 HD2 LYS A 13 -12.397 -10.913 -31.864 1.00 11.45 H new ATOM 0 HD3 LYS A 13 -11.055 -9.791 -31.752 1.00 11.45 H new ATOM 0 HE2 LYS A 13 -11.774 -9.266 -33.875 1.00 71.10 H new ATOM 0 HE3 LYS A 13 -10.645 -10.542 -34.284 1.00 71.10 H new ATOM 0 HZ1 LYS A 13 -12.757 -10.852 -35.398 1.00 71.14 H new ATOM 0 HZ2 LYS A 13 -12.485 -12.125 -34.308 1.00 71.14 H new ATOM 0 HZ3 LYS A 13 -13.579 -10.889 -33.913 1.00 71.14 H new ATOM 186 N ASN A 14 -9.624 -14.943 -30.732 1.00 14.55 N ATOM 187 CA ASN A 14 -9.683 -16.258 -31.360 1.00 43.33 C ATOM 188 C ASN A 14 -8.395 -17.038 -31.108 1.00 4.54 C ATOM 189 O ASN A 14 -8.024 -17.911 -31.894 1.00 13.15 O ATOM 190 CB ASN A 14 -9.922 -16.117 -32.865 1.00 12.44 C ATOM 191 CG ASN A 14 -10.511 -17.373 -33.476 1.00 1.15 C ATOM 192 OD1 ASN A 14 -9.884 -18.025 -34.310 1.00 11.24 O ATOM 193 ND2 ASN A 14 -11.726 -17.719 -33.062 1.00 4.23 N ATOM 0 H ASN A 14 -10.314 -14.797 -29.995 1.00 14.55 H new ATOM 0 HA ASN A 14 -10.513 -16.809 -30.918 1.00 43.33 H new ATOM 0 HB2 ASN A 14 -10.594 -15.278 -33.047 1.00 12.44 H new ATOM 0 HB3 ASN A 14 -8.979 -15.883 -33.360 1.00 12.44 H new ATOM 0 HD21 ASN A 14 -12.174 -18.555 -33.438 1.00 4.23 H new ATOM 0 HD22 ASN A 14 -12.210 -17.149 -32.368 1.00 4.23 H new ATOM 200 N CYS A 15 -7.721 -16.717 -30.011 1.00 13.42 N ATOM 201 CA CYS A 15 -6.475 -17.387 -29.656 1.00 5.12 C ATOM 202 C CYS A 15 -6.586 -18.048 -28.285 1.00 45.42 C ATOM 203 O CYS A 15 -7.644 -18.026 -27.657 1.00 62.11 O ATOM 204 CB CYS A 15 -5.315 -16.391 -29.663 1.00 22.14 C ATOM 205 SG CYS A 15 -5.575 -14.948 -28.605 1.00 2.24 S ATOM 0 H CYS A 15 -8.016 -15.997 -29.351 1.00 13.42 H new ATOM 0 HA CYS A 15 -6.283 -18.161 -30.399 1.00 5.12 H new ATOM 0 HB2 CYS A 15 -4.408 -16.904 -29.343 1.00 22.14 H new ATOM 0 HB3 CYS A 15 -5.147 -16.053 -30.685 1.00 22.14 H new ATOM 0 HG CYS A 15 -6.097 -13.985 -29.305 1.00 2.24 H new ATOM 211 N ASP A 16 -5.485 -18.636 -27.828 1.00 14.03 N ATOM 212 CA ASP A 16 -5.458 -19.305 -26.532 1.00 11.23 C ATOM 213 C ASP A 16 -4.407 -18.680 -25.621 1.00 34.34 C ATOM 214 O ASP A 16 -4.582 -18.616 -24.403 1.00 45.12 O ATOM 215 CB ASP A 16 -5.173 -20.798 -26.710 1.00 50.21 C ATOM 216 CG ASP A 16 -3.915 -21.056 -27.516 1.00 54.43 C ATOM 217 OD1 ASP A 16 -3.959 -20.893 -28.753 1.00 34.04 O ATOM 218 OD2 ASP A 16 -2.887 -21.420 -26.908 1.00 34.14 O ATOM 0 H ASP A 16 -4.601 -18.663 -28.335 1.00 14.03 H new ATOM 0 HA ASP A 16 -6.436 -19.183 -26.067 1.00 11.23 H new ATOM 0 HB2 ASP A 16 -5.075 -21.265 -25.730 1.00 50.21 H new ATOM 0 HB3 ASP A 16 -6.021 -21.270 -27.205 1.00 50.21 H new ATOM 223 N THR A 17 -3.311 -18.220 -26.217 1.00 62.21 N ATOM 224 CA THR A 17 -2.230 -17.602 -25.460 1.00 10.24 C ATOM 225 C THR A 17 -2.759 -16.502 -24.545 1.00 43.54 C ATOM 226 O THR A 17 -2.469 -16.484 -23.350 1.00 32.13 O ATOM 227 CB THR A 17 -1.159 -17.007 -26.393 1.00 64.53 C ATOM 228 OG1 THR A 17 -0.947 -17.875 -27.512 1.00 51.14 O ATOM 229 CG2 THR A 17 0.153 -16.801 -25.649 1.00 13.05 C ATOM 0 H THR A 17 -3.149 -18.264 -27.223 1.00 62.21 H new ATOM 0 HA THR A 17 -1.778 -18.388 -24.855 1.00 10.24 H new ATOM 0 HB THR A 17 -1.514 -16.039 -26.747 1.00 64.53 H new ATOM 0 HG1 THR A 17 -0.266 -17.489 -28.101 1.00 51.14 H new ATOM 0 HG21 THR A 17 0.894 -16.380 -26.328 1.00 13.05 H new ATOM 0 HG22 THR A 17 -0.005 -16.117 -24.815 1.00 13.05 H new ATOM 0 HG23 THR A 17 0.511 -17.758 -25.270 1.00 13.05 H new ATOM 237 N MET A 18 -3.535 -15.587 -25.116 1.00 61.22 N ATOM 238 CA MET A 18 -4.106 -14.484 -24.351 1.00 4.42 C ATOM 239 C MET A 18 -4.837 -15.001 -23.117 1.00 72.34 C ATOM 240 O MET A 18 -4.872 -14.338 -22.079 1.00 54.40 O ATOM 241 CB MET A 18 -5.063 -13.671 -25.224 1.00 41.43 C ATOM 242 CG MET A 18 -4.367 -12.627 -26.080 1.00 42.31 C ATOM 243 SD MET A 18 -5.299 -11.087 -26.193 1.00 61.21 S ATOM 244 CE MET A 18 -4.441 -10.083 -24.984 1.00 35.43 C ATOM 0 H MET A 18 -3.783 -15.587 -26.105 1.00 61.22 H new ATOM 0 HA MET A 18 -3.290 -13.840 -24.024 1.00 4.42 H new ATOM 0 HB2 MET A 18 -5.616 -14.351 -25.872 1.00 41.43 H new ATOM 0 HB3 MET A 18 -5.793 -13.176 -24.584 1.00 41.43 H new ATOM 0 HG2 MET A 18 -3.381 -12.421 -25.664 1.00 42.31 H new ATOM 0 HG3 MET A 18 -4.213 -13.028 -27.082 1.00 42.31 H new ATOM 0 HE1 MET A 18 -4.295 -9.079 -25.383 1.00 35.43 H new ATOM 0 HE2 MET A 18 -5.033 -10.028 -24.071 1.00 35.43 H new ATOM 0 HE3 MET A 18 -3.472 -10.530 -24.762 1.00 35.43 H new ATOM 254 N LYS A 19 -5.423 -16.188 -23.235 1.00 34.45 N ATOM 255 CA LYS A 19 -6.154 -16.795 -22.129 1.00 44.21 C ATOM 256 C LYS A 19 -5.240 -17.013 -20.928 1.00 43.12 C ATOM 257 O LYS A 19 -5.557 -16.604 -19.810 1.00 22.52 O ATOM 258 CB LYS A 19 -6.767 -18.128 -22.566 1.00 42.21 C ATOM 259 CG LYS A 19 -8.094 -18.435 -21.895 1.00 0.44 C ATOM 260 CD LYS A 19 -9.265 -17.918 -22.714 1.00 30.12 C ATOM 261 CE LYS A 19 -10.573 -18.025 -21.945 1.00 54.50 C ATOM 262 NZ LYS A 19 -10.872 -19.429 -21.550 1.00 12.14 N ATOM 0 H LYS A 19 -5.406 -16.749 -24.087 1.00 34.45 H new ATOM 0 HA LYS A 19 -6.953 -16.114 -21.837 1.00 44.21 H new ATOM 0 HB2 LYS A 19 -6.910 -18.116 -23.647 1.00 42.21 H new ATOM 0 HB3 LYS A 19 -6.064 -18.931 -22.346 1.00 42.21 H new ATOM 0 HG2 LYS A 19 -8.193 -19.512 -21.757 1.00 0.44 H new ATOM 0 HG3 LYS A 19 -8.115 -17.983 -20.903 1.00 0.44 H new ATOM 0 HD2 LYS A 19 -9.087 -16.878 -22.989 1.00 30.12 H new ATOM 0 HD3 LYS A 19 -9.340 -18.485 -23.642 1.00 30.12 H new ATOM 0 HE2 LYS A 19 -10.522 -17.400 -21.053 1.00 54.50 H new ATOM 0 HE3 LYS A 19 -11.387 -17.639 -22.558 1.00 54.50 H new ATOM 0 HZ1 LYS A 19 -11.831 -19.480 -21.150 1.00 12.14 H new ATOM 0 HZ2 LYS A 19 -10.812 -20.045 -22.386 1.00 12.14 H new ATOM 0 HZ3 LYS A 19 -10.182 -19.744 -20.838 1.00 12.14 H new ATOM 276 N LYS A 20 -4.104 -17.660 -21.164 1.00 34.44 N ATOM 277 CA LYS A 20 -3.141 -17.931 -20.102 1.00 13.54 C ATOM 278 C LYS A 20 -2.545 -16.635 -19.564 1.00 54.33 C ATOM 279 O LYS A 20 -2.404 -16.461 -18.354 1.00 71.32 O ATOM 280 CB LYS A 20 -2.025 -18.843 -20.618 1.00 51.40 C ATOM 281 CG LYS A 20 -2.533 -20.079 -21.339 1.00 41.13 C ATOM 282 CD LYS A 20 -3.439 -20.911 -20.446 1.00 21.45 C ATOM 283 CE LYS A 20 -3.894 -22.183 -21.145 1.00 33.50 C ATOM 284 NZ LYS A 20 -2.803 -23.193 -21.225 1.00 30.33 N ATOM 0 H LYS A 20 -3.827 -18.007 -22.082 1.00 34.44 H new ATOM 0 HA LYS A 20 -3.666 -18.433 -19.289 1.00 13.54 H new ATOM 0 HB2 LYS A 20 -1.387 -18.275 -21.295 1.00 51.40 H new ATOM 0 HB3 LYS A 20 -1.403 -19.153 -19.778 1.00 51.40 H new ATOM 0 HG2 LYS A 20 -3.077 -19.781 -22.235 1.00 41.13 H new ATOM 0 HG3 LYS A 20 -1.687 -20.684 -21.666 1.00 41.13 H new ATOM 0 HD2 LYS A 20 -2.910 -21.168 -19.528 1.00 21.45 H new ATOM 0 HD3 LYS A 20 -4.309 -20.321 -20.158 1.00 21.45 H new ATOM 0 HE2 LYS A 20 -4.743 -22.608 -20.610 1.00 33.50 H new ATOM 0 HE3 LYS A 20 -4.239 -21.941 -22.150 1.00 33.50 H new ATOM 0 HZ1 LYS A 20 -3.167 -24.064 -21.662 1.00 30.33 H new ATOM 0 HZ2 LYS A 20 -2.023 -22.817 -21.801 1.00 30.33 H new ATOM 0 HZ3 LYS A 20 -2.456 -23.405 -20.268 1.00 30.33 H new ATOM 298 N ALA A 21 -2.199 -15.727 -20.471 1.00 53.12 N ATOM 299 CA ALA A 21 -1.622 -14.445 -20.086 1.00 1.22 C ATOM 300 C ALA A 21 -2.589 -13.646 -19.218 1.00 43.50 C ATOM 301 O ALA A 21 -2.207 -13.116 -18.174 1.00 22.15 O ATOM 302 CB ALA A 21 -1.239 -13.646 -21.323 1.00 20.30 C ATOM 0 H ALA A 21 -2.308 -15.856 -21.477 1.00 53.12 H new ATOM 0 HA ALA A 21 -0.724 -14.640 -19.500 1.00 1.22 H new ATOM 0 HB1 ALA A 21 -0.809 -12.691 -21.021 1.00 20.30 H new ATOM 0 HB2 ALA A 21 -0.507 -14.205 -21.905 1.00 20.30 H new ATOM 0 HB3 ALA A 21 -2.126 -13.469 -21.931 1.00 20.30 H new ATOM 308 N ARG A 22 -3.841 -13.563 -19.656 1.00 25.34 N ATOM 309 CA ARG A 22 -4.861 -12.827 -18.919 1.00 62.34 C ATOM 310 C ARG A 22 -5.087 -13.443 -17.542 1.00 32.15 C ATOM 311 O ARG A 22 -5.091 -12.741 -16.530 1.00 70.51 O ATOM 312 CB ARG A 22 -6.173 -12.809 -19.704 1.00 44.13 C ATOM 313 CG ARG A 22 -6.185 -11.810 -20.849 1.00 55.33 C ATOM 314 CD ARG A 22 -6.539 -10.412 -20.366 1.00 32.33 C ATOM 315 NE ARG A 22 -7.980 -10.172 -20.393 1.00 60.44 N ATOM 316 CZ ARG A 22 -8.578 -9.215 -19.693 1.00 11.23 C ATOM 317 NH1 ARG A 22 -7.864 -8.412 -18.917 1.00 3.41 N ATOM 318 NH2 ARG A 22 -9.893 -9.059 -19.770 1.00 10.54 N ATOM 0 H ARG A 22 -4.173 -13.996 -20.518 1.00 25.34 H new ATOM 0 HA ARG A 22 -4.511 -11.803 -18.786 1.00 62.34 H new ATOM 0 HB2 ARG A 22 -6.362 -13.806 -20.101 1.00 44.13 H new ATOM 0 HB3 ARG A 22 -6.991 -12.577 -19.022 1.00 44.13 H new ATOM 0 HG2 ARG A 22 -5.206 -11.793 -21.329 1.00 55.33 H new ATOM 0 HG3 ARG A 22 -6.904 -12.128 -21.603 1.00 55.33 H new ATOM 0 HD2 ARG A 22 -6.168 -10.274 -19.351 1.00 32.33 H new ATOM 0 HD3 ARG A 22 -6.037 -9.674 -20.992 1.00 32.33 H new ATOM 0 HE ARG A 22 -8.558 -10.772 -20.981 1.00 60.44 H new ATOM 0 HH11 ARG A 22 -6.852 -8.528 -18.856 1.00 3.41 H new ATOM 0 HH12 ARG A 22 -8.326 -7.678 -18.381 1.00 3.41 H new ATOM 0 HH21 ARG A 22 -10.445 -9.674 -20.367 1.00 10.54 H new ATOM 0 HH22 ARG A 22 -10.352 -8.324 -19.232 1.00 10.54 H new ATOM 332 N ILE A 23 -5.276 -14.758 -17.512 1.00 34.41 N ATOM 333 CA ILE A 23 -5.503 -15.468 -16.259 1.00 74.45 C ATOM 334 C ILE A 23 -4.327 -15.287 -15.304 1.00 44.23 C ATOM 335 O ILE A 23 -4.509 -15.190 -14.090 1.00 42.13 O ATOM 336 CB ILE A 23 -5.730 -16.972 -16.497 1.00 2.43 C ATOM 337 CG1 ILE A 23 -6.975 -17.192 -17.360 1.00 24.30 C ATOM 338 CG2 ILE A 23 -5.862 -17.705 -15.171 1.00 3.12 C ATOM 339 CD1 ILE A 23 -6.959 -18.499 -18.122 1.00 52.43 C ATOM 0 H ILE A 23 -5.276 -15.353 -18.340 1.00 34.41 H new ATOM 0 HA ILE A 23 -6.400 -15.040 -15.812 1.00 74.45 H new ATOM 0 HB ILE A 23 -4.867 -17.375 -17.027 1.00 2.43 H new ATOM 0 HG12 ILE A 23 -7.859 -17.163 -16.723 1.00 24.30 H new ATOM 0 HG13 ILE A 23 -7.066 -16.369 -18.069 1.00 24.30 H new ATOM 0 HG21 ILE A 23 -6.022 -18.767 -15.357 1.00 3.12 H new ATOM 0 HG22 ILE A 23 -4.950 -17.572 -14.589 1.00 3.12 H new ATOM 0 HG23 ILE A 23 -6.709 -17.302 -14.615 1.00 3.12 H new ATOM 0 HD11 ILE A 23 -7.871 -18.588 -18.712 1.00 52.43 H new ATOM 0 HD12 ILE A 23 -6.095 -18.523 -18.785 1.00 52.43 H new ATOM 0 HD13 ILE A 23 -6.899 -19.330 -17.419 1.00 52.43 H new ATOM 351 N TRP A 24 -3.123 -15.244 -15.861 1.00 31.51 N ATOM 352 CA TRP A 24 -1.916 -15.073 -15.060 1.00 62.05 C ATOM 353 C TRP A 24 -1.857 -13.674 -14.456 1.00 74.25 C ATOM 354 O TRP A 24 -1.659 -13.515 -13.249 1.00 4.31 O ATOM 355 CB TRP A 24 -0.671 -15.326 -15.912 1.00 3.42 C ATOM 356 CG TRP A 24 0.503 -15.811 -15.118 1.00 50.22 C ATOM 357 CD1 TRP A 24 0.954 -17.097 -15.024 1.00 42.14 C ATOM 358 CD2 TRP A 24 1.377 -15.017 -14.308 1.00 0.54 C ATOM 359 NE1 TRP A 24 2.054 -17.150 -14.202 1.00 71.32 N ATOM 360 CE2 TRP A 24 2.334 -15.888 -13.751 1.00 44.32 C ATOM 361 CE3 TRP A 24 1.444 -13.656 -13.998 1.00 41.34 C ATOM 362 CZ2 TRP A 24 3.344 -15.439 -12.904 1.00 65.40 C ATOM 363 CZ3 TRP A 24 2.445 -13.213 -13.157 1.00 2.15 C ATOM 364 CH2 TRP A 24 3.385 -14.102 -12.617 1.00 64.41 C ATOM 0 H TRP A 24 -2.956 -15.325 -16.864 1.00 31.51 H new ATOM 0 HA TRP A 24 -1.945 -15.799 -14.248 1.00 62.05 H new ATOM 0 HB2 TRP A 24 -0.909 -16.061 -16.681 1.00 3.42 H new ATOM 0 HB3 TRP A 24 -0.397 -14.404 -16.426 1.00 3.42 H new ATOM 0 HD1 TRP A 24 0.511 -17.947 -15.522 1.00 42.14 H new ATOM 0 HE1 TRP A 24 2.577 -17.993 -13.966 1.00 71.32 H new ATOM 0 HE3 TRP A 24 0.725 -12.963 -14.409 1.00 41.34 H new ATOM 0 HZ2 TRP A 24 4.070 -16.122 -12.488 1.00 65.40 H new ATOM 0 HZ3 TRP A 24 2.505 -12.163 -12.911 1.00 2.15 H new ATOM 0 HH2 TRP A 24 4.156 -13.724 -11.962 1.00 64.41 H new ATOM 375 N LEU A 25 -2.030 -12.662 -15.299 1.00 11.33 N ATOM 376 CA LEU A 25 -1.997 -11.275 -14.846 1.00 44.32 C ATOM 377 C LEU A 25 -3.039 -11.032 -13.760 1.00 51.32 C ATOM 378 O LEU A 25 -2.742 -10.437 -12.724 1.00 43.22 O ATOM 379 CB LEU A 25 -2.240 -10.330 -16.024 1.00 70.24 C ATOM 380 CG LEU A 25 -0.993 -9.837 -16.758 1.00 60.23 C ATOM 381 CD1 LEU A 25 -0.072 -9.090 -15.806 1.00 21.14 C ATOM 382 CD2 LEU A 25 -0.260 -11.004 -17.405 1.00 3.23 C ATOM 0 H LEU A 25 -2.194 -12.775 -16.299 1.00 11.33 H new ATOM 0 HA LEU A 25 -1.011 -11.078 -14.426 1.00 44.32 H new ATOM 0 HB2 LEU A 25 -2.884 -10.836 -16.743 1.00 70.24 H new ATOM 0 HB3 LEU A 25 -2.790 -9.462 -15.660 1.00 70.24 H new ATOM 0 HG LEU A 25 -1.306 -9.148 -17.543 1.00 60.23 H new ATOM 0 HD11 LEU A 25 0.810 -8.747 -16.347 1.00 21.14 H new ATOM 0 HD12 LEU A 25 -0.599 -8.232 -15.389 1.00 21.14 H new ATOM 0 HD13 LEU A 25 0.234 -9.755 -14.999 1.00 21.14 H new ATOM 0 HD21 LEU A 25 0.625 -10.635 -17.923 1.00 3.23 H new ATOM 0 HD22 LEU A 25 0.040 -11.716 -16.636 1.00 3.23 H new ATOM 0 HD23 LEU A 25 -0.920 -11.497 -18.119 1.00 3.23 H new ATOM 394 N GLU A 26 -4.261 -11.498 -14.003 1.00 61.23 N ATOM 395 CA GLU A 26 -5.346 -11.331 -13.043 1.00 64.31 C ATOM 396 C GLU A 26 -5.098 -12.167 -11.791 1.00 74.22 C ATOM 397 O GLU A 26 -5.451 -11.763 -10.683 1.00 53.23 O ATOM 398 CB GLU A 26 -6.681 -11.726 -13.678 1.00 32.45 C ATOM 399 CG GLU A 26 -6.816 -13.217 -13.935 1.00 31.13 C ATOM 400 CD GLU A 26 -8.133 -13.579 -14.593 1.00 44.21 C ATOM 401 OE1 GLU A 26 -8.226 -13.472 -15.834 1.00 61.24 O ATOM 402 OE2 GLU A 26 -9.070 -13.971 -13.868 1.00 13.03 O ATOM 0 H GLU A 26 -4.524 -11.993 -14.855 1.00 61.23 H new ATOM 0 HA GLU A 26 -5.385 -10.281 -12.755 1.00 64.31 H new ATOM 0 HB2 GLU A 26 -7.493 -11.403 -13.026 1.00 32.45 H new ATOM 0 HB3 GLU A 26 -6.797 -11.192 -14.621 1.00 32.45 H new ATOM 0 HG2 GLU A 26 -5.994 -13.548 -14.570 1.00 31.13 H new ATOM 0 HG3 GLU A 26 -6.726 -13.754 -12.991 1.00 31.13 H new ATOM 409 N ASP A 27 -4.488 -13.333 -11.976 1.00 34.31 N ATOM 410 CA ASP A 27 -4.192 -14.226 -10.862 1.00 72.41 C ATOM 411 C ASP A 27 -3.244 -13.561 -9.870 1.00 33.14 C ATOM 412 O ASP A 27 -3.462 -13.608 -8.658 1.00 3.11 O ATOM 413 CB ASP A 27 -3.582 -15.530 -11.375 1.00 42.32 C ATOM 414 CG ASP A 27 -4.627 -16.599 -11.630 1.00 63.52 C ATOM 415 OD1 ASP A 27 -5.637 -16.628 -10.896 1.00 71.12 O ATOM 416 OD2 ASP A 27 -4.435 -17.404 -12.564 1.00 45.10 O ATOM 0 H ASP A 27 -4.189 -13.682 -12.887 1.00 34.31 H new ATOM 0 HA ASP A 27 -5.127 -14.449 -10.348 1.00 72.41 H new ATOM 0 HB2 ASP A 27 -3.035 -15.334 -12.297 1.00 42.32 H new ATOM 0 HB3 ASP A 27 -2.859 -15.900 -10.648 1.00 42.32 H new ATOM 421 N HIS A 28 -2.189 -12.943 -10.391 1.00 21.13 N ATOM 422 CA HIS A 28 -1.206 -12.268 -9.551 1.00 13.54 C ATOM 423 C HIS A 28 -1.775 -10.973 -8.980 1.00 43.42 C ATOM 424 O HIS A 28 -1.242 -10.418 -8.021 1.00 0.32 O ATOM 425 CB HIS A 28 0.063 -11.973 -10.351 1.00 14.43 C ATOM 426 CG HIS A 28 1.243 -11.622 -9.495 1.00 55.54 C ATOM 427 ND1 HIS A 28 2.108 -12.565 -8.984 1.00 12.03 N ATOM 428 CD2 HIS A 28 1.699 -10.423 -9.066 1.00 71.45 C ATOM 429 CE1 HIS A 28 3.044 -11.962 -8.274 1.00 24.52 C ATOM 430 NE2 HIS A 28 2.819 -10.661 -8.307 1.00 21.13 N ATOM 0 H HIS A 28 -1.993 -12.896 -11.391 1.00 21.13 H new ATOM 0 HA HIS A 28 -0.958 -12.931 -8.722 1.00 13.54 H new ATOM 0 HB2 HIS A 28 0.311 -12.844 -10.958 1.00 14.43 H new ATOM 0 HB3 HIS A 28 -0.134 -11.151 -11.039 1.00 14.43 H new ATOM 0 HD2 HIS A 28 1.264 -9.458 -9.280 1.00 71.45 H new ATOM 0 HE1 HIS A 28 3.856 -12.450 -7.755 1.00 24.52 H new ATOM 0 HE2 HIS A 28 3.384 -9.949 -7.844 1.00 21.13 H new ATOM 438 N GLY A 29 -2.863 -10.496 -9.580 1.00 43.32 N ATOM 439 CA GLY A 29 -3.485 -9.269 -9.119 1.00 61.30 C ATOM 440 C GLY A 29 -2.800 -8.031 -9.662 1.00 13.24 C ATOM 441 O GLY A 29 -2.587 -7.061 -8.933 1.00 52.32 O ATOM 0 H GLY A 29 -3.323 -10.938 -10.376 1.00 43.32 H new ATOM 0 HA2 GLY A 29 -4.533 -9.262 -9.419 1.00 61.30 H new ATOM 0 HA3 GLY A 29 -3.465 -9.243 -8.029 1.00 61.30 H new ATOM 445 N ILE A 30 -2.450 -8.063 -10.943 1.00 54.44 N ATOM 446 CA ILE A 30 -1.783 -6.936 -11.582 1.00 74.22 C ATOM 447 C ILE A 30 -2.727 -6.207 -12.533 1.00 61.31 C ATOM 448 O ILE A 30 -3.518 -6.832 -13.240 1.00 14.22 O ATOM 449 CB ILE A 30 -0.534 -7.387 -12.360 1.00 33.02 C ATOM 450 CG1 ILE A 30 0.327 -8.309 -11.495 1.00 74.32 C ATOM 451 CG2 ILE A 30 0.268 -6.180 -12.820 1.00 52.12 C ATOM 452 CD1 ILE A 30 1.545 -8.848 -12.213 1.00 25.45 C ATOM 0 H ILE A 30 -2.618 -8.858 -11.559 1.00 54.44 H new ATOM 0 HA ILE A 30 -1.477 -6.257 -10.786 1.00 74.22 H new ATOM 0 HB ILE A 30 -0.854 -7.942 -13.242 1.00 33.02 H new ATOM 0 HG12 ILE A 30 0.650 -7.764 -10.608 1.00 74.32 H new ATOM 0 HG13 ILE A 30 -0.282 -9.145 -11.152 1.00 74.32 H new ATOM 0 HG21 ILE A 30 1.148 -6.516 -13.369 1.00 52.12 H new ATOM 0 HG22 ILE A 30 -0.349 -5.559 -13.469 1.00 52.12 H new ATOM 0 HG23 ILE A 30 0.581 -5.599 -11.952 1.00 52.12 H new ATOM 0 HD11 ILE A 30 2.108 -9.494 -11.539 1.00 25.45 H new ATOM 0 HD12 ILE A 30 1.229 -9.421 -13.085 1.00 25.45 H new ATOM 0 HD13 ILE A 30 2.176 -8.018 -12.532 1.00 25.45 H new ATOM 464 N ASP A 31 -2.636 -4.882 -12.548 1.00 75.12 N ATOM 465 CA ASP A 31 -3.479 -4.067 -13.415 1.00 21.24 C ATOM 466 C ASP A 31 -2.926 -4.037 -14.837 1.00 75.12 C ATOM 467 O ASP A 31 -1.837 -3.516 -15.080 1.00 63.43 O ATOM 468 CB ASP A 31 -3.586 -2.644 -12.867 1.00 24.41 C ATOM 469 CG ASP A 31 -4.848 -1.939 -13.327 1.00 12.42 C ATOM 470 OD1 ASP A 31 -5.297 -2.208 -14.461 1.00 24.32 O ATOM 471 OD2 ASP A 31 -5.387 -1.122 -12.552 1.00 60.30 O ATOM 0 H ASP A 31 -1.987 -4.349 -11.969 1.00 75.12 H new ATOM 0 HA ASP A 31 -4.473 -4.514 -13.439 1.00 21.24 H new ATOM 0 HB2 ASP A 31 -3.567 -2.675 -11.778 1.00 24.41 H new ATOM 0 HB3 ASP A 31 -2.716 -2.069 -13.185 1.00 24.41 H new ATOM 476 N TYR A 32 -3.684 -4.599 -15.773 1.00 1.34 N ATOM 477 CA TYR A 32 -3.269 -4.640 -17.169 1.00 14.55 C ATOM 478 C TYR A 32 -4.429 -4.286 -18.093 1.00 23.04 C ATOM 479 O TYR A 32 -5.514 -4.861 -17.998 1.00 43.04 O ATOM 480 CB TYR A 32 -2.726 -6.026 -17.522 1.00 44.01 C ATOM 481 CG TYR A 32 -1.220 -6.128 -17.431 1.00 2.43 C ATOM 482 CD1 TYR A 32 -0.563 -5.932 -16.223 1.00 2.21 C ATOM 483 CD2 TYR A 32 -0.455 -6.419 -18.554 1.00 41.42 C ATOM 484 CE1 TYR A 32 0.813 -6.023 -16.134 1.00 1.10 C ATOM 485 CE2 TYR A 32 0.922 -6.514 -18.474 1.00 0.12 C ATOM 486 CZ TYR A 32 1.550 -6.315 -17.263 1.00 70.01 C ATOM 487 OH TYR A 32 2.920 -6.408 -17.180 1.00 34.31 O ATOM 0 H TYR A 32 -4.589 -5.032 -15.589 1.00 1.34 H new ATOM 0 HA TYR A 32 -2.479 -3.902 -17.308 1.00 14.55 H new ATOM 0 HB2 TYR A 32 -3.173 -6.763 -16.854 1.00 44.01 H new ATOM 0 HB3 TYR A 32 -3.039 -6.282 -18.534 1.00 44.01 H new ATOM 0 HD1 TYR A 32 -1.138 -5.704 -15.337 1.00 2.21 H new ATOM 0 HD2 TYR A 32 -0.944 -6.573 -19.505 1.00 41.42 H new ATOM 0 HE1 TYR A 32 1.308 -5.867 -15.187 1.00 1.10 H new ATOM 0 HE2 TYR A 32 1.503 -6.743 -19.355 1.00 0.12 H new ATOM 0 HH TYR A 32 3.173 -6.716 -16.285 1.00 34.31 H new ATOM 497 N THR A 33 -4.195 -3.333 -18.991 1.00 12.42 N ATOM 498 CA THR A 33 -5.219 -2.901 -19.933 1.00 70.00 C ATOM 499 C THR A 33 -5.197 -3.751 -21.198 1.00 44.51 C ATOM 500 O THR A 33 -4.210 -3.759 -21.935 1.00 22.54 O ATOM 501 CB THR A 33 -5.037 -1.420 -20.319 1.00 0.30 C ATOM 502 OG1 THR A 33 -4.777 -0.637 -19.149 1.00 62.20 O ATOM 503 CG2 THR A 33 -6.277 -0.890 -21.024 1.00 52.41 C ATOM 0 H THR A 33 -3.304 -2.846 -19.085 1.00 12.42 H new ATOM 0 HA THR A 33 -6.180 -3.024 -19.434 1.00 70.00 H new ATOM 0 HB THR A 33 -4.190 -1.346 -21.001 1.00 0.30 H new ATOM 0 HG1 THR A 33 -3.854 -0.786 -18.854 1.00 62.20 H new ATOM 0 HG21 THR A 33 -6.126 0.157 -21.287 1.00 52.41 H new ATOM 0 HG22 THR A 33 -6.456 -1.470 -21.929 1.00 52.41 H new ATOM 0 HG23 THR A 33 -7.138 -0.977 -20.361 1.00 52.41 H new ATOM 511 N PHE A 34 -6.291 -4.463 -21.444 1.00 20.02 N ATOM 512 CA PHE A 34 -6.396 -5.318 -22.622 1.00 51.35 C ATOM 513 C PHE A 34 -6.671 -4.489 -23.873 1.00 63.42 C ATOM 514 O PHE A 34 -7.657 -3.755 -23.942 1.00 51.44 O ATOM 515 CB PHE A 34 -7.507 -6.352 -22.430 1.00 74.40 C ATOM 516 CG PHE A 34 -7.868 -7.087 -23.690 1.00 73.23 C ATOM 517 CD1 PHE A 34 -6.881 -7.525 -24.558 1.00 15.04 C ATOM 518 CD2 PHE A 34 -9.194 -7.337 -24.005 1.00 54.34 C ATOM 519 CE1 PHE A 34 -7.210 -8.201 -25.718 1.00 11.43 C ATOM 520 CE2 PHE A 34 -9.528 -8.012 -25.163 1.00 31.14 C ATOM 521 CZ PHE A 34 -8.536 -8.444 -26.022 1.00 71.33 C ATOM 0 H PHE A 34 -7.117 -4.466 -20.845 1.00 20.02 H new ATOM 0 HA PHE A 34 -5.445 -5.835 -22.751 1.00 51.35 H new ATOM 0 HB2 PHE A 34 -7.194 -7.073 -21.675 1.00 74.40 H new ATOM 0 HB3 PHE A 34 -8.395 -5.852 -22.044 1.00 74.40 H new ATOM 0 HD1 PHE A 34 -5.843 -7.336 -24.326 1.00 15.04 H new ATOM 0 HD2 PHE A 34 -9.974 -7.001 -23.338 1.00 54.34 H new ATOM 0 HE1 PHE A 34 -6.432 -8.539 -26.386 1.00 11.43 H new ATOM 0 HE2 PHE A 34 -10.565 -8.202 -25.397 1.00 31.14 H new ATOM 0 HZ PHE A 34 -8.796 -8.970 -26.929 1.00 71.33 H new ATOM 531 N HIS A 35 -5.788 -4.609 -24.861 1.00 30.12 N ATOM 532 CA HIS A 35 -5.934 -3.870 -26.110 1.00 4.21 C ATOM 533 C HIS A 35 -5.861 -4.811 -27.308 1.00 71.42 C ATOM 534 O HIS A 35 -4.860 -5.499 -27.510 1.00 23.35 O ATOM 535 CB HIS A 35 -4.850 -2.798 -26.222 1.00 32.13 C ATOM 536 CG HIS A 35 -5.225 -1.498 -25.577 1.00 2.30 C ATOM 537 ND1 HIS A 35 -6.267 -1.375 -24.682 1.00 73.35 N ATOM 538 CD2 HIS A 35 -4.688 -0.262 -25.700 1.00 54.12 C ATOM 539 CE1 HIS A 35 -6.355 -0.118 -24.285 1.00 51.22 C ATOM 540 NE2 HIS A 35 -5.408 0.578 -24.887 1.00 32.22 N ATOM 0 H HIS A 35 -4.965 -5.210 -24.820 1.00 30.12 H new ATOM 0 HA HIS A 35 -6.912 -3.388 -26.107 1.00 4.21 H new ATOM 0 HB2 HIS A 35 -3.933 -3.170 -25.764 1.00 32.13 H new ATOM 0 HB3 HIS A 35 -4.632 -2.622 -27.275 1.00 32.13 H new ATOM 0 HD1 HIS A 35 -6.874 -2.135 -24.375 1.00 73.35 H new ATOM 0 HD2 HIS A 35 -3.849 0.013 -26.322 1.00 54.12 H new ATOM 0 HE1 HIS A 35 -7.079 0.274 -23.586 1.00 51.22 H new ATOM 548 N ASP A 36 -6.928 -4.836 -28.100 1.00 25.23 N ATOM 549 CA ASP A 36 -6.985 -5.692 -29.280 1.00 42.21 C ATOM 550 C ASP A 36 -6.298 -5.027 -30.468 1.00 1.23 C ATOM 551 O ASP A 36 -6.388 -3.813 -30.651 1.00 31.51 O ATOM 552 CB ASP A 36 -8.437 -6.016 -29.631 1.00 24.32 C ATOM 553 CG ASP A 36 -8.570 -7.308 -30.413 1.00 34.45 C ATOM 554 OD1 ASP A 36 -8.505 -8.389 -29.790 1.00 70.42 O ATOM 555 OD2 ASP A 36 -8.740 -7.239 -31.649 1.00 21.31 O ATOM 0 H ASP A 36 -7.765 -4.274 -27.946 1.00 25.23 H new ATOM 0 HA ASP A 36 -6.459 -6.619 -29.052 1.00 42.21 H new ATOM 0 HB2 ASP A 36 -9.022 -6.088 -28.714 1.00 24.32 H new ATOM 0 HB3 ASP A 36 -8.858 -5.197 -30.214 1.00 24.32 H new ATOM 560 N TYR A 37 -5.610 -5.830 -31.272 1.00 30.14 N ATOM 561 CA TYR A 37 -4.903 -5.319 -32.440 1.00 33.02 C ATOM 562 C TYR A 37 -5.855 -4.568 -33.367 1.00 52.25 C ATOM 563 O TYR A 37 -5.455 -3.638 -34.067 1.00 44.22 O ATOM 564 CB TYR A 37 -4.235 -6.465 -33.200 1.00 4.33 C ATOM 565 CG TYR A 37 -5.204 -7.321 -33.983 1.00 34.33 C ATOM 566 CD1 TYR A 37 -6.065 -8.200 -33.336 1.00 74.22 C ATOM 567 CD2 TYR A 37 -5.260 -7.252 -35.369 1.00 30.14 C ATOM 568 CE1 TYR A 37 -6.953 -8.984 -34.046 1.00 34.11 C ATOM 569 CE2 TYR A 37 -6.146 -8.031 -36.089 1.00 74.45 C ATOM 570 CZ TYR A 37 -6.990 -8.896 -35.422 1.00 12.12 C ATOM 571 OH TYR A 37 -7.872 -9.675 -36.135 1.00 41.03 O ATOM 0 H TYR A 37 -5.527 -6.837 -31.136 1.00 30.14 H new ATOM 0 HA TYR A 37 -4.137 -4.625 -32.094 1.00 33.02 H new ATOM 0 HB2 TYR A 37 -3.494 -6.052 -33.884 1.00 4.33 H new ATOM 0 HB3 TYR A 37 -3.698 -7.095 -32.491 1.00 4.33 H new ATOM 0 HD1 TYR A 37 -6.039 -8.271 -32.259 1.00 74.22 H new ATOM 0 HD2 TYR A 37 -4.599 -6.578 -35.894 1.00 30.14 H new ATOM 0 HE1 TYR A 37 -7.614 -9.662 -33.527 1.00 34.11 H new ATOM 0 HE2 TYR A 37 -6.178 -7.963 -37.166 1.00 74.45 H new ATOM 0 HH TYR A 37 -7.771 -9.491 -37.092 1.00 41.03 H new ATOM 581 N LYS A 38 -7.118 -4.978 -33.364 1.00 0.11 N ATOM 582 CA LYS A 38 -8.131 -4.344 -34.201 1.00 54.34 C ATOM 583 C LYS A 38 -8.850 -3.235 -33.441 1.00 63.30 C ATOM 584 O LYS A 38 -8.901 -2.091 -33.892 1.00 51.11 O ATOM 585 CB LYS A 38 -9.144 -5.384 -34.688 1.00 63.31 C ATOM 586 CG LYS A 38 -10.335 -4.780 -35.411 1.00 54.42 C ATOM 587 CD LYS A 38 -11.032 -5.805 -36.290 1.00 63.40 C ATOM 588 CE LYS A 38 -11.725 -5.146 -37.472 1.00 74.30 C ATOM 589 NZ LYS A 38 -10.749 -4.639 -38.476 1.00 30.43 N ATOM 0 H LYS A 38 -7.466 -5.747 -32.791 1.00 0.11 H new ATOM 0 HA LYS A 38 -7.630 -3.903 -35.062 1.00 54.34 H new ATOM 0 HB2 LYS A 38 -8.641 -6.084 -35.355 1.00 63.31 H new ATOM 0 HB3 LYS A 38 -9.501 -5.959 -33.834 1.00 63.31 H new ATOM 0 HG2 LYS A 38 -11.042 -4.384 -34.682 1.00 54.42 H new ATOM 0 HG3 LYS A 38 -10.003 -3.941 -36.022 1.00 54.42 H new ATOM 0 HD2 LYS A 38 -10.304 -6.531 -36.652 1.00 63.40 H new ATOM 0 HD3 LYS A 38 -11.764 -6.356 -35.699 1.00 63.40 H new ATOM 0 HE2 LYS A 38 -12.394 -5.864 -37.947 1.00 74.30 H new ATOM 0 HE3 LYS A 38 -12.342 -4.321 -37.117 1.00 74.30 H new ATOM 0 HZ1 LYS A 38 -11.231 -4.496 -39.387 1.00 30.43 H new ATOM 0 HZ2 LYS A 38 -10.352 -3.735 -38.148 1.00 30.43 H new ATOM 0 HZ3 LYS A 38 -9.982 -5.331 -38.595 1.00 30.43 H new ATOM 603 N LYS A 39 -9.403 -3.581 -32.283 1.00 13.11 N ATOM 604 CA LYS A 39 -10.117 -2.614 -31.457 1.00 43.13 C ATOM 605 C LYS A 39 -9.245 -1.396 -31.168 1.00 2.14 C ATOM 606 O LYS A 39 -9.752 -0.296 -30.953 1.00 41.33 O ATOM 607 CB LYS A 39 -10.558 -3.262 -30.143 1.00 74.40 C ATOM 608 CG LYS A 39 -11.518 -2.407 -29.334 1.00 14.42 C ATOM 609 CD LYS A 39 -11.412 -2.702 -27.848 1.00 32.52 C ATOM 610 CE LYS A 39 -12.535 -2.038 -27.066 1.00 13.12 C ATOM 611 NZ LYS A 39 -12.349 -0.563 -26.974 1.00 4.24 N ATOM 0 H LYS A 39 -9.370 -4.524 -31.895 1.00 13.11 H new ATOM 0 HA LYS A 39 -10.999 -2.285 -32.007 1.00 43.13 H new ATOM 0 HB2 LYS A 39 -11.033 -4.219 -30.361 1.00 74.40 H new ATOM 0 HB3 LYS A 39 -9.676 -3.474 -29.538 1.00 74.40 H new ATOM 0 HG2 LYS A 39 -11.306 -1.353 -29.512 1.00 14.42 H new ATOM 0 HG3 LYS A 39 -12.539 -2.588 -29.670 1.00 14.42 H new ATOM 0 HD2 LYS A 39 -11.443 -3.780 -27.687 1.00 32.52 H new ATOM 0 HD3 LYS A 39 -10.450 -2.351 -27.474 1.00 32.52 H new ATOM 0 HE2 LYS A 39 -13.489 -2.255 -27.546 1.00 13.12 H new ATOM 0 HE3 LYS A 39 -12.579 -2.462 -26.063 1.00 13.12 H new ATOM 0 HZ1 LYS A 39 -13.134 -0.147 -26.434 1.00 4.24 H new ATOM 0 HZ2 LYS A 39 -11.450 -0.356 -26.493 1.00 4.24 H new ATOM 0 HZ3 LYS A 39 -12.332 -0.155 -27.930 1.00 4.24 H new ATOM 625 N GLU A 40 -7.932 -1.601 -31.165 1.00 43.23 N ATOM 626 CA GLU A 40 -6.990 -0.519 -30.903 1.00 30.23 C ATOM 627 C GLU A 40 -6.492 0.097 -32.207 1.00 71.01 C ATOM 628 O GLU A 40 -6.218 1.294 -32.276 1.00 70.35 O ATOM 629 CB GLU A 40 -5.804 -1.032 -30.083 1.00 33.12 C ATOM 630 CG GLU A 40 -5.191 0.022 -29.176 1.00 71.13 C ATOM 631 CD GLU A 40 -6.207 0.651 -28.242 1.00 51.30 C ATOM 632 OE1 GLU A 40 -7.166 -0.048 -27.852 1.00 11.55 O ATOM 633 OE2 GLU A 40 -6.045 1.841 -27.903 1.00 43.15 O ATOM 0 H GLU A 40 -7.496 -2.506 -31.341 1.00 43.23 H new ATOM 0 HA GLU A 40 -7.511 0.251 -30.333 1.00 30.23 H new ATOM 0 HB2 GLU A 40 -6.131 -1.876 -29.476 1.00 33.12 H new ATOM 0 HB3 GLU A 40 -5.038 -1.405 -30.762 1.00 33.12 H new ATOM 0 HG2 GLU A 40 -4.393 -0.430 -28.587 1.00 71.13 H new ATOM 0 HG3 GLU A 40 -4.734 0.800 -29.787 1.00 71.13 H new ATOM 640 N GLY A 41 -6.378 -0.732 -33.240 1.00 12.45 N ATOM 641 CA GLY A 41 -5.912 -0.252 -34.528 1.00 0.44 C ATOM 642 C GLY A 41 -4.408 -0.075 -34.572 1.00 54.13 C ATOM 643 O GLY A 41 -3.756 0.017 -33.532 1.00 32.21 O ATOM 0 H GLY A 41 -6.600 -1.727 -33.208 1.00 12.45 H new ATOM 0 HA2 GLY A 41 -6.215 -0.954 -35.305 1.00 0.44 H new ATOM 0 HA3 GLY A 41 -6.393 0.700 -34.753 1.00 0.44 H new ATOM 647 N LEU A 42 -3.854 -0.029 -35.779 1.00 61.22 N ATOM 648 CA LEU A 42 -2.415 0.136 -35.955 1.00 32.11 C ATOM 649 C LEU A 42 -2.113 1.060 -37.131 1.00 60.11 C ATOM 650 O LEU A 42 -2.544 0.809 -38.256 1.00 61.12 O ATOM 651 CB LEU A 42 -1.749 -1.223 -36.174 1.00 31.00 C ATOM 652 CG LEU A 42 -0.281 -1.326 -35.762 1.00 10.43 C ATOM 653 CD1 LEU A 42 0.576 -0.388 -36.599 1.00 61.11 C ATOM 654 CD2 LEU A 42 -0.120 -1.018 -34.280 1.00 25.43 C ATOM 0 H LEU A 42 -4.379 -0.104 -36.650 1.00 61.22 H new ATOM 0 HA LEU A 42 -2.012 0.589 -35.049 1.00 32.11 H new ATOM 0 HB2 LEU A 42 -2.314 -1.975 -35.623 1.00 31.00 H new ATOM 0 HB3 LEU A 42 -1.827 -1.477 -37.231 1.00 31.00 H new ATOM 0 HG LEU A 42 0.055 -2.348 -35.939 1.00 10.43 H new ATOM 0 HD11 LEU A 42 1.618 -0.475 -36.291 1.00 61.11 H new ATOM 0 HD12 LEU A 42 0.485 -0.654 -37.652 1.00 61.11 H new ATOM 0 HD13 LEU A 42 0.240 0.639 -36.454 1.00 61.11 H new ATOM 0 HD21 LEU A 42 0.932 -1.096 -34.004 1.00 25.43 H new ATOM 0 HD22 LEU A 42 -0.474 -0.007 -34.078 1.00 25.43 H new ATOM 0 HD23 LEU A 42 -0.702 -1.730 -33.695 1.00 25.43 H new ATOM 666 N ASP A 43 -1.368 2.127 -36.862 1.00 24.10 N ATOM 667 CA ASP A 43 -1.005 3.086 -37.899 1.00 33.24 C ATOM 668 C ASP A 43 0.478 2.980 -38.241 1.00 21.14 C ATOM 669 O ASP A 43 1.262 2.413 -37.480 1.00 4.53 O ATOM 670 CB ASP A 43 -1.336 4.508 -37.445 1.00 14.14 C ATOM 671 CG ASP A 43 -2.787 4.662 -37.034 1.00 53.01 C ATOM 672 OD1 ASP A 43 -3.100 4.404 -35.854 1.00 52.23 O ATOM 673 OD2 ASP A 43 -3.610 5.041 -37.894 1.00 4.11 O ATOM 0 H ASP A 43 -1.004 2.349 -35.935 1.00 24.10 H new ATOM 0 HA ASP A 43 -1.583 2.854 -38.793 1.00 33.24 H new ATOM 0 HB2 ASP A 43 -0.694 4.777 -36.607 1.00 14.14 H new ATOM 0 HB3 ASP A 43 -1.114 5.205 -38.253 1.00 14.14 H new ATOM 678 N ALA A 44 0.856 3.528 -39.391 1.00 11.33 N ATOM 679 CA ALA A 44 2.244 3.496 -39.833 1.00 41.31 C ATOM 680 C ALA A 44 3.175 4.049 -38.761 1.00 2.35 C ATOM 681 O ALA A 44 4.213 3.459 -38.463 1.00 3.31 O ATOM 682 CB ALA A 44 2.403 4.280 -41.129 1.00 54.41 C ATOM 0 H ALA A 44 0.220 4.000 -40.034 1.00 11.33 H new ATOM 0 HA ALA A 44 2.518 2.457 -40.013 1.00 41.31 H new ATOM 0 HB1 ALA A 44 3.445 4.248 -41.448 1.00 54.41 H new ATOM 0 HB2 ALA A 44 1.773 3.838 -41.901 1.00 54.41 H new ATOM 0 HB3 ALA A 44 2.105 5.316 -40.967 1.00 54.41 H new ATOM 688 N GLU A 45 2.798 5.186 -38.183 1.00 21.11 N ATOM 689 CA GLU A 45 3.601 5.819 -37.144 1.00 32.33 C ATOM 690 C GLU A 45 3.932 4.826 -36.033 1.00 22.11 C ATOM 691 O GLU A 45 5.087 4.686 -35.633 1.00 3.32 O ATOM 692 CB GLU A 45 2.864 7.026 -36.562 1.00 25.10 C ATOM 693 CG GLU A 45 3.684 7.813 -35.555 1.00 65.44 C ATOM 694 CD GLU A 45 2.853 8.818 -34.783 1.00 54.25 C ATOM 695 OE1 GLU A 45 1.740 8.459 -34.347 1.00 35.42 O ATOM 696 OE2 GLU A 45 3.316 9.966 -34.615 1.00 31.22 O ATOM 0 H GLU A 45 1.941 5.687 -38.417 1.00 21.11 H new ATOM 0 HA GLU A 45 4.533 6.157 -37.596 1.00 32.33 H new ATOM 0 HB2 GLU A 45 2.571 7.689 -37.376 1.00 25.10 H new ATOM 0 HB3 GLU A 45 1.947 6.684 -36.083 1.00 25.10 H new ATOM 0 HG2 GLU A 45 4.154 7.122 -34.855 1.00 65.44 H new ATOM 0 HG3 GLU A 45 4.487 8.335 -36.075 1.00 65.44 H new ATOM 703 N THR A 46 2.907 4.139 -35.536 1.00 73.34 N ATOM 704 CA THR A 46 3.087 3.162 -34.471 1.00 14.20 C ATOM 705 C THR A 46 4.002 2.027 -34.914 1.00 20.44 C ATOM 706 O THR A 46 4.963 1.685 -34.224 1.00 51.10 O ATOM 707 CB THR A 46 1.738 2.571 -34.017 1.00 72.32 C ATOM 708 OG1 THR A 46 0.679 3.493 -34.300 1.00 61.33 O ATOM 709 CG2 THR A 46 1.759 2.256 -32.529 1.00 1.32 C ATOM 0 H THR A 46 1.944 4.242 -35.855 1.00 73.34 H new ATOM 0 HA THR A 46 3.545 3.689 -33.634 1.00 14.20 H new ATOM 0 HB THR A 46 1.569 1.645 -34.566 1.00 72.32 H new ATOM 0 HG1 THR A 46 -0.175 3.109 -34.010 1.00 61.33 H new ATOM 0 HG21 THR A 46 0.796 1.840 -32.232 1.00 1.32 H new ATOM 0 HG22 THR A 46 2.547 1.532 -32.321 1.00 1.32 H new ATOM 0 HG23 THR A 46 1.949 3.170 -31.966 1.00 1.32 H new ATOM 717 N LEU A 47 3.700 1.446 -36.070 1.00 41.05 N ATOM 718 CA LEU A 47 4.498 0.348 -36.606 1.00 30.54 C ATOM 719 C LEU A 47 5.965 0.749 -36.725 1.00 4.21 C ATOM 720 O LEU A 47 6.847 0.079 -36.185 1.00 62.44 O ATOM 721 CB LEU A 47 3.961 -0.076 -37.975 1.00 40.43 C ATOM 722 CG LEU A 47 4.232 -1.525 -38.381 1.00 30.21 C ATOM 723 CD1 LEU A 47 5.727 -1.773 -38.510 1.00 72.53 C ATOM 724 CD2 LEU A 47 3.614 -2.485 -37.375 1.00 35.34 C ATOM 0 H LEU A 47 2.909 1.717 -36.654 1.00 41.05 H new ATOM 0 HA LEU A 47 4.425 -0.493 -35.916 1.00 30.54 H new ATOM 0 HB2 LEU A 47 2.884 0.089 -37.988 1.00 40.43 H new ATOM 0 HB3 LEU A 47 4.393 0.579 -38.732 1.00 40.43 H new ATOM 0 HG LEU A 47 3.771 -1.702 -39.353 1.00 30.21 H new ATOM 0 HD11 LEU A 47 5.900 -2.809 -38.800 1.00 72.53 H new ATOM 0 HD12 LEU A 47 6.142 -1.110 -39.269 1.00 72.53 H new ATOM 0 HD13 LEU A 47 6.212 -1.578 -37.554 1.00 72.53 H new ATOM 0 HD21 LEU A 47 3.817 -3.512 -37.680 1.00 35.34 H new ATOM 0 HD22 LEU A 47 4.045 -2.307 -36.390 1.00 35.34 H new ATOM 0 HD23 LEU A 47 2.537 -2.325 -37.334 1.00 35.34 H new ATOM 736 N ASP A 48 6.219 1.845 -37.431 1.00 1.01 N ATOM 737 CA ASP A 48 7.579 2.337 -37.616 1.00 1.33 C ATOM 738 C ASP A 48 8.285 2.504 -36.274 1.00 4.12 C ATOM 739 O ASP A 48 9.395 2.008 -36.080 1.00 45.52 O ATOM 740 CB ASP A 48 7.564 3.668 -38.369 1.00 15.35 C ATOM 741 CG ASP A 48 8.911 4.004 -38.980 1.00 42.32 C ATOM 742 OD1 ASP A 48 9.923 3.416 -38.543 1.00 70.50 O ATOM 743 OD2 ASP A 48 8.953 4.853 -39.894 1.00 12.50 O ATOM 0 H ASP A 48 5.501 2.410 -37.885 1.00 1.01 H new ATOM 0 HA ASP A 48 8.128 1.602 -38.204 1.00 1.33 H new ATOM 0 HB2 ASP A 48 6.811 3.628 -39.156 1.00 15.35 H new ATOM 0 HB3 ASP A 48 7.269 4.465 -37.686 1.00 15.35 H new ATOM 748 N ARG A 49 7.634 3.205 -35.353 1.00 40.22 N ATOM 749 CA ARG A 49 8.199 3.440 -34.030 1.00 24.55 C ATOM 750 C ARG A 49 8.542 2.121 -33.344 1.00 53.00 C ATOM 751 O ARG A 49 9.549 2.017 -32.644 1.00 73.52 O ATOM 752 CB ARG A 49 7.220 4.237 -33.166 1.00 41.24 C ATOM 753 CG ARG A 49 7.809 4.696 -31.843 1.00 35.00 C ATOM 754 CD ARG A 49 8.637 5.961 -32.010 1.00 53.11 C ATOM 755 NE ARG A 49 8.858 6.643 -30.738 1.00 73.43 N ATOM 756 CZ ARG A 49 9.839 7.515 -30.532 1.00 12.33 C ATOM 757 NH1 ARG A 49 10.685 7.808 -31.510 1.00 1.45 N ATOM 758 NH2 ARG A 49 9.976 8.094 -29.346 1.00 21.11 N ATOM 0 H ARG A 49 6.714 3.621 -35.498 1.00 40.22 H new ATOM 0 HA ARG A 49 9.116 4.016 -34.152 1.00 24.55 H new ATOM 0 HB2 ARG A 49 6.882 5.109 -33.725 1.00 41.24 H new ATOM 0 HB3 ARG A 49 6.340 3.624 -32.969 1.00 41.24 H new ATOM 0 HG2 ARG A 49 7.005 4.878 -31.129 1.00 35.00 H new ATOM 0 HG3 ARG A 49 8.432 3.904 -31.427 1.00 35.00 H new ATOM 0 HD2 ARG A 49 9.598 5.708 -32.458 1.00 53.11 H new ATOM 0 HD3 ARG A 49 8.132 6.636 -32.700 1.00 53.11 H new ATOM 0 HE ARG A 49 8.224 6.439 -29.965 1.00 73.43 H new ATOM 0 HH11 ARG A 49 10.583 7.364 -32.422 1.00 1.45 H new ATOM 0 HH12 ARG A 49 11.437 8.478 -31.350 1.00 1.45 H new ATOM 0 HH21 ARG A 49 9.328 7.870 -28.591 1.00 21.11 H new ATOM 0 HH22 ARG A 49 10.730 8.763 -29.189 1.00 21.11 H new ATOM 772 N PHE A 50 7.696 1.116 -33.547 1.00 52.05 N ATOM 773 CA PHE A 50 7.908 -0.195 -32.947 1.00 23.30 C ATOM 774 C PHE A 50 9.065 -0.924 -33.626 1.00 71.14 C ATOM 775 O PHE A 50 9.863 -1.593 -32.969 1.00 40.10 O ATOM 776 CB PHE A 50 6.634 -1.037 -33.046 1.00 63.44 C ATOM 777 CG PHE A 50 5.669 -0.798 -31.919 1.00 22.12 C ATOM 778 CD1 PHE A 50 6.080 -0.920 -30.601 1.00 32.42 C ATOM 779 CD2 PHE A 50 4.354 -0.452 -32.178 1.00 14.32 C ATOM 780 CE1 PHE A 50 5.195 -0.702 -29.562 1.00 14.22 C ATOM 781 CE2 PHE A 50 3.463 -0.232 -31.142 1.00 41.31 C ATOM 782 CZ PHE A 50 3.885 -0.357 -29.833 1.00 24.45 C ATOM 0 H PHE A 50 6.857 1.185 -34.123 1.00 52.05 H new ATOM 0 HA PHE A 50 8.159 -0.049 -31.896 1.00 23.30 H new ATOM 0 HB2 PHE A 50 6.137 -0.820 -33.992 1.00 63.44 H new ATOM 0 HB3 PHE A 50 6.906 -2.092 -33.064 1.00 63.44 H new ATOM 0 HD1 PHE A 50 7.103 -1.188 -30.383 1.00 32.42 H new ATOM 0 HD2 PHE A 50 4.019 -0.353 -33.200 1.00 14.32 H new ATOM 0 HE1 PHE A 50 5.527 -0.801 -28.539 1.00 14.22 H new ATOM 0 HE2 PHE A 50 2.439 0.037 -31.357 1.00 41.31 H new ATOM 0 HZ PHE A 50 3.192 -0.185 -29.023 1.00 24.45 H new ATOM 792 N LEU A 51 9.149 -0.787 -34.945 1.00 22.50 N ATOM 793 CA LEU A 51 10.208 -1.432 -35.714 1.00 0.23 C ATOM 794 C LEU A 51 11.571 -0.844 -35.364 1.00 53.31 C ATOM 795 O LEU A 51 12.584 -1.545 -35.374 1.00 22.12 O ATOM 796 CB LEU A 51 9.943 -1.278 -37.212 1.00 24.51 C ATOM 797 CG LEU A 51 10.433 -2.421 -38.102 1.00 22.33 C ATOM 798 CD1 LEU A 51 11.946 -2.546 -38.024 1.00 70.24 C ATOM 799 CD2 LEU A 51 9.767 -3.730 -37.705 1.00 23.22 C ATOM 0 H LEU A 51 8.497 -0.236 -35.504 1.00 22.50 H new ATOM 0 HA LEU A 51 10.214 -2.492 -35.459 1.00 0.23 H new ATOM 0 HB2 LEU A 51 8.869 -1.163 -37.361 1.00 24.51 H new ATOM 0 HB3 LEU A 51 10.412 -0.354 -37.550 1.00 24.51 H new ATOM 0 HG LEU A 51 10.160 -2.196 -39.133 1.00 22.33 H new ATOM 0 HD11 LEU A 51 12.277 -3.364 -38.664 1.00 70.24 H new ATOM 0 HD12 LEU A 51 12.406 -1.616 -38.358 1.00 70.24 H new ATOM 0 HD13 LEU A 51 12.242 -2.748 -36.994 1.00 70.24 H new ATOM 0 HD21 LEU A 51 10.128 -4.532 -38.349 1.00 23.22 H new ATOM 0 HD22 LEU A 51 10.009 -3.961 -36.668 1.00 23.22 H new ATOM 0 HD23 LEU A 51 8.686 -3.636 -37.813 1.00 23.22 H new ATOM 811 N LYS A 52 11.590 0.448 -35.054 1.00 72.22 N ATOM 812 CA LYS A 52 12.827 1.132 -34.697 1.00 13.04 C ATOM 813 C LYS A 52 13.318 0.687 -33.323 1.00 1.22 C ATOM 814 O LYS A 52 14.512 0.749 -33.028 1.00 22.51 O ATOM 815 CB LYS A 52 12.618 2.647 -34.709 1.00 14.41 C ATOM 816 CG LYS A 52 12.450 3.228 -36.102 1.00 64.25 C ATOM 817 CD LYS A 52 12.173 4.721 -36.055 1.00 12.02 C ATOM 818 CE LYS A 52 13.460 5.529 -36.095 1.00 32.31 C ATOM 819 NZ LYS A 52 13.288 6.879 -35.490 1.00 13.43 N ATOM 0 H LYS A 52 10.762 1.043 -35.043 1.00 72.22 H new ATOM 0 HA LYS A 52 13.584 0.870 -35.436 1.00 13.04 H new ATOM 0 HB2 LYS A 52 11.736 2.888 -34.115 1.00 14.41 H new ATOM 0 HB3 LYS A 52 13.469 3.126 -34.225 1.00 14.41 H new ATOM 0 HG2 LYS A 52 13.352 3.043 -36.685 1.00 64.25 H new ATOM 0 HG3 LYS A 52 11.631 2.721 -36.612 1.00 64.25 H new ATOM 0 HD2 LYS A 52 11.540 5.001 -36.897 1.00 12.02 H new ATOM 0 HD3 LYS A 52 11.620 4.961 -35.147 1.00 12.02 H new ATOM 0 HE2 LYS A 52 14.244 4.990 -35.563 1.00 32.31 H new ATOM 0 HE3 LYS A 52 13.791 5.634 -37.128 1.00 32.31 H new ATOM 0 HZ1 LYS A 52 14.188 7.398 -35.537 1.00 13.43 H new ATOM 0 HZ2 LYS A 52 12.558 7.404 -36.013 1.00 13.43 H new ATOM 0 HZ3 LYS A 52 12.997 6.780 -34.496 1.00 13.43 H new ATOM 833 N THR A 53 12.390 0.236 -32.485 1.00 24.20 N ATOM 834 CA THR A 53 12.727 -0.221 -31.143 1.00 34.52 C ATOM 835 C THR A 53 12.995 -1.721 -31.124 1.00 21.14 C ATOM 836 O THR A 53 13.823 -2.205 -30.352 1.00 72.44 O ATOM 837 CB THR A 53 11.604 0.103 -30.140 1.00 24.53 C ATOM 838 OG1 THR A 53 11.292 1.500 -30.189 1.00 13.12 O ATOM 839 CG2 THR A 53 12.014 -0.281 -28.726 1.00 64.44 C ATOM 0 H THR A 53 11.397 0.178 -32.713 1.00 24.20 H new ATOM 0 HA THR A 53 13.632 0.310 -30.846 1.00 34.52 H new ATOM 0 HB THR A 53 10.722 -0.476 -30.415 1.00 24.53 H new ATOM 0 HG1 THR A 53 10.721 1.681 -30.964 1.00 13.12 H new ATOM 0 HG21 THR A 53 11.205 -0.043 -28.035 1.00 64.44 H new ATOM 0 HG22 THR A 53 12.223 -1.350 -28.685 1.00 64.44 H new ATOM 0 HG23 THR A 53 12.908 0.274 -28.443 1.00 64.44 H new ATOM 847 N VAL A 54 12.287 -2.455 -31.977 1.00 5.34 N ATOM 848 CA VAL A 54 12.448 -3.901 -32.059 1.00 43.11 C ATOM 849 C VAL A 54 12.371 -4.383 -33.503 1.00 50.42 C ATOM 850 O VAL A 54 11.484 -3.996 -34.265 1.00 41.32 O ATOM 851 CB VAL A 54 11.379 -4.634 -31.226 1.00 32.21 C ATOM 852 CG1 VAL A 54 11.577 -6.140 -31.309 1.00 15.02 C ATOM 853 CG2 VAL A 54 11.413 -4.161 -29.781 1.00 51.22 C ATOM 0 H VAL A 54 11.596 -2.071 -32.621 1.00 5.34 H new ATOM 0 HA VAL A 54 13.434 -4.132 -31.655 1.00 43.11 H new ATOM 0 HB VAL A 54 10.398 -4.398 -31.638 1.00 32.21 H new ATOM 0 HG11 VAL A 54 10.813 -6.641 -30.715 1.00 15.02 H new ATOM 0 HG12 VAL A 54 11.497 -6.461 -32.348 1.00 15.02 H new ATOM 0 HG13 VAL A 54 12.563 -6.399 -30.924 1.00 15.02 H new ATOM 0 HG21 VAL A 54 10.651 -4.689 -29.207 1.00 51.22 H new ATOM 0 HG22 VAL A 54 12.395 -4.365 -29.354 1.00 51.22 H new ATOM 0 HG23 VAL A 54 11.217 -3.089 -29.744 1.00 51.22 H new ATOM 863 N PRO A 55 13.320 -5.247 -33.891 1.00 2.25 N ATOM 864 CA PRO A 55 13.380 -5.800 -35.247 1.00 2.03 C ATOM 865 C PRO A 55 12.242 -6.776 -35.526 1.00 74.41 C ATOM 866 O PRO A 55 11.815 -7.516 -34.640 1.00 51.24 O ATOM 867 CB PRO A 55 14.726 -6.529 -35.274 1.00 33.24 C ATOM 868 CG PRO A 55 15.003 -6.867 -33.849 1.00 34.23 C ATOM 869 CD PRO A 55 14.409 -5.749 -33.036 1.00 62.25 C ATOM 0 HA PRO A 55 13.283 -5.025 -36.007 1.00 2.03 H new ATOM 0 HB2 PRO A 55 14.678 -7.426 -35.891 1.00 33.24 H new ATOM 0 HB3 PRO A 55 15.510 -5.897 -35.691 1.00 33.24 H new ATOM 0 HG2 PRO A 55 14.556 -7.825 -33.581 1.00 34.23 H new ATOM 0 HG3 PRO A 55 16.075 -6.954 -33.669 1.00 34.23 H new ATOM 0 HD2 PRO A 55 14.035 -6.105 -32.076 1.00 62.25 H new ATOM 0 HD3 PRO A 55 15.144 -4.972 -32.823 1.00 62.25 H new ATOM 877 N TRP A 56 11.755 -6.771 -36.761 1.00 2.13 N ATOM 878 CA TRP A 56 10.664 -7.656 -37.156 1.00 72.32 C ATOM 879 C TRP A 56 11.022 -9.114 -36.886 1.00 33.30 C ATOM 880 O TRP A 56 10.142 -9.954 -36.706 1.00 54.31 O ATOM 881 CB TRP A 56 10.336 -7.465 -38.638 1.00 43.12 C ATOM 882 CG TRP A 56 11.541 -7.523 -39.526 1.00 71.25 C ATOM 883 CD1 TRP A 56 12.290 -6.466 -39.962 1.00 71.41 C ATOM 884 CD2 TRP A 56 12.137 -8.697 -40.088 1.00 63.01 C ATOM 885 NE1 TRP A 56 13.314 -6.914 -40.760 1.00 11.50 N ATOM 886 CE2 TRP A 56 13.243 -8.278 -40.852 1.00 54.44 C ATOM 887 CE3 TRP A 56 11.845 -10.061 -40.018 1.00 64.22 C ATOM 888 CZ2 TRP A 56 14.054 -9.176 -41.542 1.00 2.44 C ATOM 889 CZ3 TRP A 56 12.650 -10.952 -40.702 1.00 44.31 C ATOM 890 CH2 TRP A 56 13.745 -10.506 -41.456 1.00 14.15 C ATOM 0 H TRP A 56 12.097 -6.165 -37.506 1.00 2.13 H new ATOM 0 HA TRP A 56 9.787 -7.400 -36.561 1.00 72.32 H new ATOM 0 HB2 TRP A 56 9.628 -8.234 -38.948 1.00 43.12 H new ATOM 0 HB3 TRP A 56 9.841 -6.503 -38.772 1.00 43.12 H new ATOM 0 HD1 TRP A 56 12.104 -5.431 -39.715 1.00 71.41 H new ATOM 0 HE1 TRP A 56 14.014 -6.325 -41.211 1.00 11.50 H new ATOM 0 HE3 TRP A 56 11.004 -10.414 -39.439 1.00 64.22 H new ATOM 0 HZ2 TRP A 56 14.897 -8.834 -42.124 1.00 2.44 H new ATOM 0 HZ3 TRP A 56 12.432 -12.009 -40.655 1.00 44.31 H new ATOM 0 HH2 TRP A 56 14.356 -11.226 -41.979 1.00 14.15 H new ATOM 901 N GLU A 57 12.318 -9.406 -36.860 1.00 24.51 N ATOM 902 CA GLU A 57 12.791 -10.763 -36.612 1.00 64.15 C ATOM 903 C GLU A 57 12.282 -11.279 -35.270 1.00 74.11 C ATOM 904 O GLU A 57 12.029 -12.473 -35.109 1.00 43.02 O ATOM 905 CB GLU A 57 14.320 -10.808 -36.644 1.00 44.32 C ATOM 906 CG GLU A 57 14.973 -10.095 -35.472 1.00 74.32 C ATOM 907 CD GLU A 57 16.340 -9.535 -35.818 1.00 2.22 C ATOM 908 OE1 GLU A 57 16.854 -9.861 -36.909 1.00 35.22 O ATOM 909 OE2 GLU A 57 16.895 -8.773 -34.999 1.00 73.32 O ATOM 0 H GLU A 57 13.059 -8.721 -37.008 1.00 24.51 H new ATOM 0 HA GLU A 57 12.401 -11.407 -37.400 1.00 64.15 H new ATOM 0 HB2 GLU A 57 14.645 -11.848 -36.652 1.00 44.32 H new ATOM 0 HB3 GLU A 57 14.669 -10.358 -37.573 1.00 44.32 H new ATOM 0 HG2 GLU A 57 14.326 -9.284 -35.139 1.00 74.32 H new ATOM 0 HG3 GLU A 57 15.069 -10.789 -34.637 1.00 74.32 H new ATOM 916 N GLN A 58 12.138 -10.372 -34.310 1.00 73.33 N ATOM 917 CA GLN A 58 11.661 -10.735 -32.980 1.00 13.45 C ATOM 918 C GLN A 58 10.409 -9.944 -32.616 1.00 24.32 C ATOM 919 O GLN A 58 10.098 -9.761 -31.438 1.00 52.14 O ATOM 920 CB GLN A 58 12.755 -10.490 -31.940 1.00 52.31 C ATOM 921 CG GLN A 58 13.868 -11.525 -31.971 1.00 2.22 C ATOM 922 CD GLN A 58 14.652 -11.577 -30.674 1.00 73.04 C ATOM 923 OE1 GLN A 58 14.868 -10.555 -30.024 1.00 12.51 O ATOM 924 NE2 GLN A 58 15.083 -12.773 -30.291 1.00 11.14 N ATOM 0 H GLN A 58 12.345 -9.380 -34.428 1.00 73.33 H new ATOM 0 HA GLN A 58 11.408 -11.795 -32.988 1.00 13.45 H new ATOM 0 HB2 GLN A 58 13.185 -9.502 -32.103 1.00 52.31 H new ATOM 0 HB3 GLN A 58 12.305 -10.482 -30.947 1.00 52.31 H new ATOM 0 HG2 GLN A 58 13.440 -12.507 -32.172 1.00 2.22 H new ATOM 0 HG3 GLN A 58 14.547 -11.298 -32.793 1.00 2.22 H new ATOM 0 HE21 GLN A 58 14.881 -13.594 -30.861 1.00 11.14 H new ATOM 0 HE22 GLN A 58 15.616 -12.870 -29.427 1.00 11.14 H new ATOM 933 N LEU A 59 9.692 -9.479 -33.634 1.00 41.15 N ATOM 934 CA LEU A 59 8.473 -8.707 -33.421 1.00 23.12 C ATOM 935 C LEU A 59 7.258 -9.446 -33.972 1.00 51.11 C ATOM 936 O LEU A 59 6.118 -9.134 -33.625 1.00 4.12 O ATOM 937 CB LEU A 59 8.593 -7.334 -34.082 1.00 20.44 C ATOM 938 CG LEU A 59 7.659 -6.247 -33.548 1.00 33.41 C ATOM 939 CD1 LEU A 59 8.202 -5.667 -32.252 1.00 5.54 C ATOM 940 CD2 LEU A 59 7.466 -5.151 -34.587 1.00 61.44 C ATOM 0 H LEU A 59 9.934 -9.623 -34.614 1.00 41.15 H new ATOM 0 HA LEU A 59 8.339 -8.575 -32.347 1.00 23.12 H new ATOM 0 HB2 LEU A 59 9.621 -6.988 -33.971 1.00 20.44 H new ATOM 0 HB3 LEU A 59 8.409 -7.450 -35.150 1.00 20.44 H new ATOM 0 HG LEU A 59 6.688 -6.698 -33.341 1.00 33.41 H new ATOM 0 HD11 LEU A 59 7.525 -4.895 -31.887 1.00 5.54 H new ATOM 0 HD12 LEU A 59 8.287 -6.458 -31.507 1.00 5.54 H new ATOM 0 HD13 LEU A 59 9.185 -5.231 -32.432 1.00 5.54 H new ATOM 0 HD21 LEU A 59 6.799 -4.386 -34.190 1.00 61.44 H new ATOM 0 HD22 LEU A 59 8.430 -4.702 -34.826 1.00 61.44 H new ATOM 0 HD23 LEU A 59 7.031 -5.579 -35.490 1.00 61.44 H new ATOM 952 N LEU A 60 7.508 -10.428 -34.831 1.00 55.45 N ATOM 953 CA LEU A 60 6.435 -11.214 -35.430 1.00 62.31 C ATOM 954 C LEU A 60 6.756 -12.705 -35.376 1.00 44.10 C ATOM 955 O LEU A 60 7.920 -13.100 -35.422 1.00 61.30 O ATOM 956 CB LEU A 60 6.207 -10.782 -36.879 1.00 44.32 C ATOM 957 CG LEU A 60 7.204 -11.321 -37.905 1.00 11.04 C ATOM 958 CD1 LEU A 60 6.519 -12.285 -38.861 1.00 41.24 C ATOM 959 CD2 LEU A 60 7.851 -10.176 -38.672 1.00 71.44 C ATOM 0 H LEU A 60 8.445 -10.699 -35.129 1.00 55.45 H new ATOM 0 HA LEU A 60 5.525 -11.036 -34.857 1.00 62.31 H new ATOM 0 HB2 LEU A 60 5.206 -11.094 -37.177 1.00 44.32 H new ATOM 0 HB3 LEU A 60 6.227 -9.693 -36.920 1.00 44.32 H new ATOM 0 HG LEU A 60 7.985 -11.864 -37.373 1.00 11.04 H new ATOM 0 HD11 LEU A 60 7.245 -12.658 -39.584 1.00 41.24 H new ATOM 0 HD12 LEU A 60 6.104 -13.122 -38.299 1.00 41.24 H new ATOM 0 HD13 LEU A 60 5.717 -11.767 -39.387 1.00 41.24 H new ATOM 0 HD21 LEU A 60 8.558 -10.578 -39.398 1.00 71.44 H new ATOM 0 HD22 LEU A 60 7.081 -9.606 -39.192 1.00 71.44 H new ATOM 0 HD23 LEU A 60 8.378 -9.523 -37.976 1.00 71.44 H new ATOM 971 N ASN A 61 5.716 -13.525 -35.281 1.00 14.22 N ATOM 972 CA ASN A 61 5.887 -14.972 -35.223 1.00 33.24 C ATOM 973 C ASN A 61 6.753 -15.465 -36.379 1.00 54.15 C ATOM 974 O ASN A 61 6.676 -14.944 -37.491 1.00 1.23 O ATOM 975 CB ASN A 61 4.526 -15.671 -35.258 1.00 52.35 C ATOM 976 CG ASN A 61 3.564 -15.012 -36.229 1.00 2.34 C ATOM 977 OD1 ASN A 61 2.534 -14.471 -35.827 1.00 42.20 O ATOM 978 ND2 ASN A 61 3.897 -15.058 -37.513 1.00 71.33 N ATOM 0 H ASN A 61 4.746 -13.213 -35.242 1.00 14.22 H new ATOM 0 HA ASN A 61 6.389 -15.215 -34.286 1.00 33.24 H new ATOM 0 HB2 ASN A 61 4.664 -16.715 -35.539 1.00 52.35 H new ATOM 0 HB3 ASN A 61 4.091 -15.664 -34.259 1.00 52.35 H new ATOM 0 HD21 ASN A 61 3.289 -14.634 -38.213 1.00 71.33 H new ATOM 0 HD22 ASN A 61 4.761 -15.518 -37.800 1.00 71.33 H new ATOM 985 N ARG A 62 7.578 -16.472 -36.106 1.00 14.43 N ATOM 986 CA ARG A 62 8.458 -17.033 -37.122 1.00 62.32 C ATOM 987 C ARG A 62 8.029 -18.450 -37.492 1.00 71.20 C ATOM 988 O ARG A 62 7.917 -18.789 -38.670 1.00 73.11 O ATOM 989 CB ARG A 62 9.905 -17.041 -36.626 1.00 1.22 C ATOM 990 CG ARG A 62 10.540 -15.661 -36.577 1.00 71.45 C ATOM 991 CD ARG A 62 10.347 -15.007 -35.217 1.00 72.42 C ATOM 992 NE ARG A 62 11.501 -15.211 -34.343 1.00 15.00 N ATOM 993 CZ ARG A 62 11.551 -14.792 -33.084 1.00 45.11 C ATOM 994 NH1 ARG A 62 10.519 -14.152 -32.552 1.00 32.15 N ATOM 995 NH2 ARG A 62 12.636 -15.015 -32.352 1.00 4.03 N ATOM 0 H ARG A 62 7.654 -16.915 -35.190 1.00 14.43 H new ATOM 0 HA ARG A 62 8.389 -16.407 -38.012 1.00 62.32 H new ATOM 0 HB2 ARG A 62 9.936 -17.481 -35.629 1.00 1.22 H new ATOM 0 HB3 ARG A 62 10.500 -17.682 -37.277 1.00 1.22 H new ATOM 0 HG2 ARG A 62 11.605 -15.741 -36.796 1.00 71.45 H new ATOM 0 HG3 ARG A 62 10.102 -15.030 -37.351 1.00 71.45 H new ATOM 0 HD2 ARG A 62 10.177 -13.939 -35.349 1.00 72.42 H new ATOM 0 HD3 ARG A 62 9.455 -15.415 -34.741 1.00 72.42 H new ATOM 0 HE ARG A 62 12.312 -15.702 -34.721 1.00 15.00 H new ATOM 0 HH11 ARG A 62 9.683 -13.980 -33.110 1.00 32.15 H new ATOM 0 HH12 ARG A 62 10.561 -13.832 -31.585 1.00 32.15 H new ATOM 0 HH21 ARG A 62 13.432 -15.508 -32.757 1.00 4.03 H new ATOM 0 HH22 ARG A 62 12.674 -14.693 -31.385 1.00 4.03 H new ATOM 1009 N ALA A 63 7.788 -19.273 -36.476 1.00 13.41 N ATOM 1010 CA ALA A 63 7.369 -20.652 -36.694 1.00 11.25 C ATOM 1011 C ALA A 63 5.870 -20.812 -36.469 1.00 40.23 C ATOM 1012 O ALA A 63 5.398 -21.890 -36.108 1.00 15.22 O ATOM 1013 CB ALA A 63 8.145 -21.591 -35.781 1.00 4.01 C ATOM 0 H ALA A 63 7.876 -19.009 -35.495 1.00 13.41 H new ATOM 0 HA ALA A 63 7.584 -20.911 -37.731 1.00 11.25 H new ATOM 0 HB1 ALA A 63 7.822 -22.617 -35.955 1.00 4.01 H new ATOM 0 HB2 ALA A 63 9.211 -21.506 -35.993 1.00 4.01 H new ATOM 0 HB3 ALA A 63 7.959 -21.323 -34.741 1.00 4.01 H new ATOM 1019 N GLY A 64 5.125 -19.732 -36.684 1.00 15.42 N ATOM 1020 CA GLY A 64 3.686 -19.774 -36.498 1.00 64.14 C ATOM 1021 C GLY A 64 2.942 -20.039 -37.792 1.00 10.02 C ATOM 1022 O GLY A 64 3.480 -19.836 -38.880 1.00 62.15 O ATOM 0 H GLY A 64 5.492 -18.829 -36.984 1.00 15.42 H new ATOM 0 HA2 GLY A 64 3.439 -20.551 -35.775 1.00 64.14 H new ATOM 0 HA3 GLY A 64 3.349 -18.827 -36.076 1.00 64.14 H new ATOM 1026 N THR A 65 1.700 -20.497 -37.675 1.00 32.42 N ATOM 1027 CA THR A 65 0.881 -20.795 -38.844 1.00 14.14 C ATOM 1028 C THR A 65 0.847 -19.613 -39.806 1.00 2.22 C ATOM 1029 O THR A 65 0.794 -19.790 -41.023 1.00 74.54 O ATOM 1030 CB THR A 65 -0.561 -21.158 -38.442 1.00 43.52 C ATOM 1031 OG1 THR A 65 -1.224 -20.007 -37.905 1.00 71.44 O ATOM 1032 CG2 THR A 65 -0.571 -22.279 -37.416 1.00 24.43 C ATOM 0 H THR A 65 1.239 -20.670 -36.782 1.00 32.42 H new ATOM 0 HA THR A 65 1.338 -21.651 -39.341 1.00 14.14 H new ATOM 0 HB THR A 65 -1.088 -21.498 -39.333 1.00 43.52 H new ATOM 0 HG1 THR A 65 -2.141 -20.245 -37.653 1.00 71.44 H new ATOM 0 HG21 THR A 65 -1.600 -22.518 -37.148 1.00 24.43 H new ATOM 0 HG22 THR A 65 -0.092 -23.163 -37.838 1.00 24.43 H new ATOM 0 HG23 THR A 65 -0.028 -21.962 -36.525 1.00 24.43 H new ATOM 1040 N THR A 66 0.878 -18.404 -39.252 1.00 75.01 N ATOM 1041 CA THR A 66 0.851 -17.192 -40.061 1.00 24.34 C ATOM 1042 C THR A 66 2.004 -17.169 -41.057 1.00 70.12 C ATOM 1043 O THR A 66 1.824 -16.819 -42.224 1.00 31.44 O ATOM 1044 CB THR A 66 0.921 -15.928 -39.182 1.00 53.23 C ATOM 1045 OG1 THR A 66 1.439 -16.259 -37.890 1.00 11.42 O ATOM 1046 CG2 THR A 66 -0.455 -15.295 -39.036 1.00 2.54 C ATOM 0 H THR A 66 0.922 -18.239 -38.246 1.00 75.01 H new ATOM 0 HA THR A 66 -0.094 -17.196 -40.604 1.00 24.34 H new ATOM 0 HB THR A 66 1.584 -15.211 -39.666 1.00 53.23 H new ATOM 0 HG1 THR A 66 1.051 -15.660 -37.219 1.00 11.42 H new ATOM 0 HG21 THR A 66 -0.381 -14.405 -38.412 1.00 2.54 H new ATOM 0 HG22 THR A 66 -0.834 -15.018 -40.020 1.00 2.54 H new ATOM 0 HG23 THR A 66 -1.136 -16.008 -38.572 1.00 2.54 H new ATOM 1054 N PHE A 67 3.191 -17.546 -40.590 1.00 31.33 N ATOM 1055 CA PHE A 67 4.374 -17.568 -41.442 1.00 51.22 C ATOM 1056 C PHE A 67 4.349 -18.773 -42.377 1.00 2.20 C ATOM 1057 O PHE A 67 4.807 -18.697 -43.517 1.00 62.22 O ATOM 1058 CB PHE A 67 5.643 -17.599 -40.585 1.00 14.00 C ATOM 1059 CG PHE A 67 6.904 -17.740 -41.388 1.00 64.31 C ATOM 1060 CD1 PHE A 67 7.409 -18.993 -41.696 1.00 12.13 C ATOM 1061 CD2 PHE A 67 7.586 -16.620 -41.836 1.00 15.52 C ATOM 1062 CE1 PHE A 67 8.570 -19.125 -42.434 1.00 72.43 C ATOM 1063 CE2 PHE A 67 8.746 -16.745 -42.574 1.00 33.54 C ATOM 1064 CZ PHE A 67 9.239 -18.000 -42.875 1.00 75.02 C ATOM 0 H PHE A 67 3.358 -17.840 -39.628 1.00 31.33 H new ATOM 0 HA PHE A 67 4.373 -16.662 -42.047 1.00 51.22 H new ATOM 0 HB2 PHE A 67 5.697 -16.683 -39.996 1.00 14.00 H new ATOM 0 HB3 PHE A 67 5.576 -18.428 -39.880 1.00 14.00 H new ATOM 0 HD1 PHE A 67 6.889 -19.876 -41.355 1.00 12.13 H new ATOM 0 HD2 PHE A 67 7.205 -15.636 -41.605 1.00 15.52 H new ATOM 0 HE1 PHE A 67 8.954 -20.107 -42.666 1.00 72.43 H new ATOM 0 HE2 PHE A 67 9.267 -15.863 -42.916 1.00 33.54 H new ATOM 0 HZ PHE A 67 10.145 -18.101 -43.454 1.00 75.02 H new ATOM 1074 N ARG A 68 3.812 -19.885 -41.886 1.00 35.20 N ATOM 1075 CA ARG A 68 3.728 -21.107 -42.676 1.00 13.24 C ATOM 1076 C ARG A 68 2.678 -20.972 -43.776 1.00 42.44 C ATOM 1077 O ARG A 68 2.704 -21.704 -44.765 1.00 51.04 O ATOM 1078 CB ARG A 68 3.392 -22.299 -41.778 1.00 65.20 C ATOM 1079 CG ARG A 68 4.614 -22.981 -41.188 1.00 50.00 C ATOM 1080 CD ARG A 68 4.328 -23.538 -39.802 1.00 44.21 C ATOM 1081 NE ARG A 68 4.606 -24.970 -39.719 1.00 1.04 N ATOM 1082 CZ ARG A 68 3.809 -25.903 -40.227 1.00 43.45 C ATOM 1083 NH1 ARG A 68 2.691 -25.558 -40.851 1.00 73.52 N ATOM 1084 NH2 ARG A 68 4.130 -27.186 -40.111 1.00 33.20 N ATOM 0 H ARG A 68 3.428 -19.965 -40.944 1.00 35.20 H new ATOM 0 HA ARG A 68 4.699 -21.276 -43.143 1.00 13.24 H new ATOM 0 HB2 ARG A 68 2.748 -21.961 -40.966 1.00 65.20 H new ATOM 0 HB3 ARG A 68 2.823 -23.028 -42.354 1.00 65.20 H new ATOM 0 HG2 ARG A 68 4.935 -23.788 -41.846 1.00 50.00 H new ATOM 0 HG3 ARG A 68 5.438 -22.269 -41.132 1.00 50.00 H new ATOM 0 HD2 ARG A 68 4.933 -23.008 -39.066 1.00 44.21 H new ATOM 0 HD3 ARG A 68 3.284 -23.356 -39.547 1.00 44.21 H new ATOM 0 HE ARG A 68 5.458 -25.269 -39.245 1.00 1.04 H new ATOM 0 HH11 ARG A 68 2.441 -24.573 -40.942 1.00 73.52 H new ATOM 0 HH12 ARG A 68 2.081 -26.277 -41.240 1.00 73.52 H new ATOM 0 HH21 ARG A 68 4.989 -27.455 -39.632 1.00 33.20 H new ATOM 0 HH22 ARG A 68 3.518 -27.902 -40.501 1.00 33.20 H new ATOM 1098 N LYS A 69 1.756 -20.034 -43.594 1.00 73.43 N ATOM 1099 CA LYS A 69 0.697 -19.803 -44.569 1.00 73.42 C ATOM 1100 C LYS A 69 1.281 -19.401 -45.920 1.00 41.12 C ATOM 1101 O LYS A 69 0.658 -19.608 -46.963 1.00 52.53 O ATOM 1102 CB LYS A 69 -0.255 -18.713 -44.070 1.00 31.13 C ATOM 1103 CG LYS A 69 -1.446 -18.481 -44.984 1.00 71.24 C ATOM 1104 CD LYS A 69 -2.653 -17.978 -44.210 1.00 50.32 C ATOM 1105 CE LYS A 69 -3.916 -18.026 -45.056 1.00 72.15 C ATOM 1106 NZ LYS A 69 -4.953 -17.080 -44.558 1.00 71.33 N ATOM 0 H LYS A 69 1.720 -19.421 -42.780 1.00 73.43 H new ATOM 0 HA LYS A 69 0.142 -20.733 -44.693 1.00 73.42 H new ATOM 0 HB2 LYS A 69 -0.616 -18.984 -43.078 1.00 31.13 H new ATOM 0 HB3 LYS A 69 0.298 -17.780 -43.964 1.00 31.13 H new ATOM 0 HG2 LYS A 69 -1.179 -17.757 -45.754 1.00 71.24 H new ATOM 0 HG3 LYS A 69 -1.701 -19.410 -45.494 1.00 71.24 H new ATOM 0 HD2 LYS A 69 -2.790 -18.584 -43.314 1.00 50.32 H new ATOM 0 HD3 LYS A 69 -2.474 -16.955 -43.879 1.00 50.32 H new ATOM 0 HE2 LYS A 69 -3.670 -17.784 -46.090 1.00 72.15 H new ATOM 0 HE3 LYS A 69 -4.317 -19.039 -45.053 1.00 72.15 H new ATOM 0 HZ1 LYS A 69 -5.798 -17.143 -45.161 1.00 71.33 H new ATOM 0 HZ2 LYS A 69 -5.206 -17.326 -43.580 1.00 71.33 H new ATOM 0 HZ3 LYS A 69 -4.579 -16.110 -44.585 1.00 71.33 H new ATOM 1120 N LEU A 70 2.479 -18.829 -45.896 1.00 1.50 N ATOM 1121 CA LEU A 70 3.148 -18.401 -47.120 1.00 30.25 C ATOM 1122 C LEU A 70 3.988 -19.531 -47.705 1.00 52.51 C ATOM 1123 O LEU A 70 4.383 -20.468 -47.010 1.00 53.44 O ATOM 1124 CB LEU A 70 4.033 -17.184 -46.842 1.00 30.13 C ATOM 1125 CG LEU A 70 3.342 -15.822 -46.917 1.00 75.04 C ATOM 1126 CD1 LEU A 70 2.062 -15.825 -46.094 1.00 23.34 C ATOM 1127 CD2 LEU A 70 4.280 -14.722 -46.442 1.00 52.00 C ATOM 0 H LEU A 70 3.008 -18.650 -45.042 1.00 1.50 H new ATOM 0 HA LEU A 70 2.383 -18.128 -47.847 1.00 30.25 H new ATOM 0 HB2 LEU A 70 4.467 -17.295 -45.848 1.00 30.13 H new ATOM 0 HB3 LEU A 70 4.859 -17.190 -47.553 1.00 30.13 H new ATOM 0 HG LEU A 70 3.080 -15.626 -47.957 1.00 75.04 H new ATOM 0 HD11 LEU A 70 1.585 -14.847 -46.160 1.00 23.34 H new ATOM 0 HD12 LEU A 70 1.384 -16.587 -46.479 1.00 23.34 H new ATOM 0 HD13 LEU A 70 2.299 -16.043 -45.053 1.00 23.34 H new ATOM 0 HD21 LEU A 70 3.772 -13.760 -46.502 1.00 52.00 H new ATOM 0 HD22 LEU A 70 4.573 -14.914 -45.410 1.00 52.00 H new ATOM 0 HD23 LEU A 70 5.168 -14.703 -47.073 1.00 52.00 H new ATOM 1139 N PRO A 71 4.271 -19.442 -49.013 1.00 40.12 N ATOM 1140 CA PRO A 71 5.071 -20.447 -49.721 1.00 21.41 C ATOM 1141 C PRO A 71 6.537 -20.423 -49.301 1.00 4.43 C ATOM 1142 O PRO A 71 6.941 -19.607 -48.473 1.00 61.04 O ATOM 1143 CB PRO A 71 4.928 -20.043 -51.190 1.00 10.33 C ATOM 1144 CG PRO A 71 4.632 -18.583 -51.155 1.00 64.15 C ATOM 1145 CD PRO A 71 3.834 -18.353 -49.902 1.00 72.42 C ATOM 0 HA PRO A 71 4.732 -21.461 -49.509 1.00 21.41 H new ATOM 0 HB2 PRO A 71 5.842 -20.248 -51.748 1.00 10.33 H new ATOM 0 HB3 PRO A 71 4.126 -20.598 -51.677 1.00 10.33 H new ATOM 0 HG2 PRO A 71 5.552 -17.998 -51.145 1.00 64.15 H new ATOM 0 HG3 PRO A 71 4.070 -18.277 -52.037 1.00 64.15 H new ATOM 0 HD2 PRO A 71 4.040 -17.374 -49.469 1.00 72.42 H new ATOM 0 HD3 PRO A 71 2.762 -18.398 -50.095 1.00 72.42 H new ATOM 1153 N GLU A 72 7.328 -21.321 -49.879 1.00 64.42 N ATOM 1154 CA GLU A 72 8.750 -21.401 -49.564 1.00 2.33 C ATOM 1155 C GLU A 72 9.503 -20.208 -50.145 1.00 32.21 C ATOM 1156 O GLU A 72 10.448 -19.702 -49.537 1.00 64.11 O ATOM 1157 CB GLU A 72 9.342 -22.705 -50.105 1.00 3.30 C ATOM 1158 CG GLU A 72 8.653 -23.951 -49.575 1.00 14.02 C ATOM 1159 CD GLU A 72 9.379 -25.226 -49.958 1.00 23.34 C ATOM 1160 OE1 GLU A 72 10.096 -25.216 -50.981 1.00 4.25 O ATOM 1161 OE2 GLU A 72 9.230 -26.234 -49.236 1.00 2.14 O ATOM 0 H GLU A 72 7.009 -22.003 -50.567 1.00 64.42 H new ATOM 0 HA GLU A 72 8.858 -21.384 -48.479 1.00 2.33 H new ATOM 0 HB2 GLU A 72 9.278 -22.699 -51.193 1.00 3.30 H new ATOM 0 HB3 GLU A 72 10.400 -22.748 -49.848 1.00 3.30 H new ATOM 0 HG2 GLU A 72 8.583 -23.889 -48.489 1.00 14.02 H new ATOM 0 HG3 GLU A 72 7.633 -23.989 -49.958 1.00 14.02 H new ATOM 1168 N ASP A 73 9.080 -19.765 -51.323 1.00 54.44 N ATOM 1169 CA ASP A 73 9.714 -18.631 -51.986 1.00 22.54 C ATOM 1170 C ASP A 73 9.473 -17.342 -51.207 1.00 73.43 C ATOM 1171 O ASP A 73 10.412 -16.608 -50.897 1.00 20.35 O ATOM 1172 CB ASP A 73 9.183 -18.486 -53.413 1.00 11.40 C ATOM 1173 CG ASP A 73 9.841 -19.455 -54.376 1.00 35.22 C ATOM 1174 OD1 ASP A 73 11.061 -19.688 -54.244 1.00 60.34 O ATOM 1175 OD2 ASP A 73 9.135 -19.980 -55.263 1.00 64.21 O ATOM 0 H ASP A 73 8.301 -20.173 -51.839 1.00 54.44 H new ATOM 0 HA ASP A 73 10.787 -18.817 -52.023 1.00 22.54 H new ATOM 0 HB2 ASP A 73 8.106 -18.651 -53.415 1.00 11.40 H new ATOM 0 HB3 ASP A 73 9.350 -17.466 -53.758 1.00 11.40 H new ATOM 1180 N VAL A 74 8.210 -17.072 -50.895 1.00 22.21 N ATOM 1181 CA VAL A 74 7.846 -15.871 -50.153 1.00 51.24 C ATOM 1182 C VAL A 74 8.408 -15.909 -48.736 1.00 71.30 C ATOM 1183 O VAL A 74 8.763 -14.875 -48.171 1.00 64.14 O ATOM 1184 CB VAL A 74 6.317 -15.697 -50.081 1.00 4.32 C ATOM 1185 CG1 VAL A 74 5.953 -14.549 -49.152 1.00 2.42 C ATOM 1186 CG2 VAL A 74 5.741 -15.473 -51.472 1.00 20.32 C ATOM 0 H VAL A 74 7.421 -17.669 -51.145 1.00 22.21 H new ATOM 0 HA VAL A 74 8.276 -15.025 -50.690 1.00 51.24 H new ATOM 0 HB VAL A 74 5.883 -16.611 -49.676 1.00 4.32 H new ATOM 0 HG11 VAL A 74 4.869 -14.441 -49.114 1.00 2.42 H new ATOM 0 HG12 VAL A 74 6.332 -14.756 -48.151 1.00 2.42 H new ATOM 0 HG13 VAL A 74 6.396 -13.625 -49.524 1.00 2.42 H new ATOM 0 HG21 VAL A 74 4.660 -15.352 -51.403 1.00 20.32 H new ATOM 0 HG22 VAL A 74 6.180 -14.575 -51.907 1.00 20.32 H new ATOM 0 HG23 VAL A 74 5.970 -16.331 -52.103 1.00 20.32 H new ATOM 1196 N ARG A 75 8.488 -17.108 -48.169 1.00 32.22 N ATOM 1197 CA ARG A 75 9.007 -17.282 -46.818 1.00 2.22 C ATOM 1198 C ARG A 75 10.500 -16.967 -46.764 1.00 43.01 C ATOM 1199 O ARG A 75 11.028 -16.597 -45.716 1.00 52.32 O ATOM 1200 CB ARG A 75 8.757 -18.710 -46.332 1.00 70.20 C ATOM 1201 CG ARG A 75 7.403 -18.900 -45.668 1.00 33.21 C ATOM 1202 CD ARG A 75 7.233 -20.320 -45.147 1.00 64.25 C ATOM 1203 NE ARG A 75 7.115 -21.290 -46.233 1.00 60.01 N ATOM 1204 CZ ARG A 75 6.578 -22.495 -46.084 1.00 52.41 C ATOM 1205 NH1 ARG A 75 6.112 -22.877 -44.903 1.00 43.22 N ATOM 1206 NH2 ARG A 75 6.505 -23.323 -47.119 1.00 22.23 N ATOM 0 H ARG A 75 8.200 -17.974 -48.625 1.00 32.22 H new ATOM 0 HA ARG A 75 8.483 -16.587 -46.162 1.00 2.22 H new ATOM 0 HB2 ARG A 75 8.836 -19.392 -47.179 1.00 70.20 H new ATOM 0 HB3 ARG A 75 9.540 -18.987 -45.626 1.00 70.20 H new ATOM 0 HG2 ARG A 75 7.298 -18.194 -44.844 1.00 33.21 H new ATOM 0 HG3 ARG A 75 6.611 -18.676 -46.383 1.00 33.21 H new ATOM 0 HD2 ARG A 75 8.085 -20.580 -44.519 1.00 64.25 H new ATOM 0 HD3 ARG A 75 6.345 -20.371 -44.517 1.00 64.25 H new ATOM 0 HE ARG A 75 7.464 -21.027 -47.155 1.00 60.01 H new ATOM 0 HH11 ARG A 75 6.165 -22.244 -44.105 1.00 43.22 H new ATOM 0 HH12 ARG A 75 5.700 -23.804 -44.793 1.00 43.22 H new ATOM 0 HH21 ARG A 75 6.862 -23.034 -48.030 1.00 22.23 H new ATOM 0 HH22 ARG A 75 6.092 -24.249 -47.004 1.00 22.23 H new ATOM 1220 N SER A 76 11.172 -17.119 -47.900 1.00 13.42 N ATOM 1221 CA SER A 76 12.603 -16.855 -47.983 1.00 72.25 C ATOM 1222 C SER A 76 12.869 -15.464 -48.551 1.00 24.11 C ATOM 1223 O SER A 76 13.925 -14.879 -48.318 1.00 72.30 O ATOM 1224 CB SER A 76 13.289 -17.912 -48.851 1.00 52.34 C ATOM 1225 OG SER A 76 14.673 -17.641 -48.988 1.00 11.12 O ATOM 0 H SER A 76 10.748 -17.424 -48.776 1.00 13.42 H new ATOM 0 HA SER A 76 13.013 -16.900 -46.974 1.00 72.25 H new ATOM 0 HB2 SER A 76 13.151 -18.898 -48.406 1.00 52.34 H new ATOM 0 HB3 SER A 76 12.821 -17.938 -49.835 1.00 52.34 H new ATOM 0 HG SER A 76 15.088 -18.332 -49.546 1.00 11.12 H new ATOM 1231 N ASN A 77 11.901 -14.943 -49.297 1.00 61.11 N ATOM 1232 CA ASN A 77 12.028 -13.620 -49.899 1.00 63.22 C ATOM 1233 C ASN A 77 11.422 -12.550 -48.997 1.00 4.51 C ATOM 1234 O ASN A 77 10.732 -11.645 -49.466 1.00 30.21 O ATOM 1235 CB ASN A 77 11.348 -13.593 -51.269 1.00 34.15 C ATOM 1236 CG ASN A 77 12.175 -14.280 -52.339 1.00 2.31 C ATOM 1237 OD1 ASN A 77 13.385 -14.448 -52.191 1.00 62.33 O ATOM 1238 ND2 ASN A 77 11.523 -14.679 -53.426 1.00 63.33 N ATOM 0 H ASN A 77 11.020 -15.416 -49.499 1.00 61.11 H new ATOM 0 HA ASN A 77 13.090 -13.406 -50.023 1.00 63.22 H new ATOM 0 HB2 ASN A 77 10.375 -14.079 -51.198 1.00 34.15 H new ATOM 0 HB3 ASN A 77 11.167 -12.559 -51.562 1.00 34.15 H new ATOM 0 HD21 ASN A 77 12.027 -15.146 -54.180 1.00 63.33 H new ATOM 0 HD22 ASN A 77 10.519 -14.519 -53.506 1.00 63.33 H new ATOM 1245 N VAL A 78 11.685 -12.660 -47.699 1.00 54.35 N ATOM 1246 CA VAL A 78 11.167 -11.702 -46.729 1.00 25.14 C ATOM 1247 C VAL A 78 12.134 -10.539 -46.537 1.00 53.34 C ATOM 1248 O VAL A 78 13.341 -10.737 -46.394 1.00 13.31 O ATOM 1249 CB VAL A 78 10.906 -12.368 -45.366 1.00 24.53 C ATOM 1250 CG1 VAL A 78 10.399 -11.346 -44.360 1.00 61.22 C ATOM 1251 CG2 VAL A 78 9.919 -13.516 -45.515 1.00 61.01 C ATOM 0 H VAL A 78 12.254 -13.403 -47.294 1.00 54.35 H new ATOM 0 HA VAL A 78 10.224 -11.326 -47.127 1.00 25.14 H new ATOM 0 HB VAL A 78 11.847 -12.773 -44.993 1.00 24.53 H new ATOM 0 HG11 VAL A 78 10.220 -11.836 -43.403 1.00 61.22 H new ATOM 0 HG12 VAL A 78 11.144 -10.561 -44.232 1.00 61.22 H new ATOM 0 HG13 VAL A 78 9.469 -10.908 -44.723 1.00 61.22 H new ATOM 0 HG21 VAL A 78 9.746 -13.976 -44.542 1.00 61.01 H new ATOM 0 HG22 VAL A 78 8.977 -13.137 -45.910 1.00 61.01 H new ATOM 0 HG23 VAL A 78 10.326 -14.259 -46.200 1.00 61.01 H new ATOM 1261 N ASP A 79 11.595 -9.324 -46.534 1.00 75.02 N ATOM 1262 CA ASP A 79 12.409 -8.127 -46.357 1.00 32.13 C ATOM 1263 C ASP A 79 11.827 -7.230 -45.270 1.00 22.35 C ATOM 1264 O ASP A 79 10.713 -7.454 -44.796 1.00 11.20 O ATOM 1265 CB ASP A 79 12.510 -7.355 -47.673 1.00 14.11 C ATOM 1266 CG ASP A 79 12.602 -8.272 -48.878 1.00 70.21 C ATOM 1267 OD1 ASP A 79 13.598 -9.017 -48.981 1.00 12.03 O ATOM 1268 OD2 ASP A 79 11.676 -8.244 -49.716 1.00 63.45 O ATOM 0 H ASP A 79 10.598 -9.143 -46.652 1.00 75.02 H new ATOM 0 HA ASP A 79 13.407 -8.438 -46.050 1.00 32.13 H new ATOM 0 HB2 ASP A 79 11.639 -6.708 -47.779 1.00 14.11 H new ATOM 0 HB3 ASP A 79 13.387 -6.708 -47.645 1.00 14.11 H new ATOM 1273 N ALA A 80 12.588 -6.213 -44.879 1.00 44.44 N ATOM 1274 CA ALA A 80 12.148 -5.281 -43.848 1.00 1.03 C ATOM 1275 C ALA A 80 10.930 -4.488 -44.310 1.00 60.14 C ATOM 1276 O ALA A 80 9.913 -4.435 -43.617 1.00 3.35 O ATOM 1277 CB ALA A 80 13.281 -4.339 -43.468 1.00 43.13 C ATOM 0 H ALA A 80 13.513 -6.014 -45.261 1.00 44.44 H new ATOM 0 HA ALA A 80 11.862 -5.859 -42.969 1.00 1.03 H new ATOM 0 HB1 ALA A 80 12.937 -3.649 -42.697 1.00 43.13 H new ATOM 0 HB2 ALA A 80 14.123 -4.917 -43.088 1.00 43.13 H new ATOM 0 HB3 ALA A 80 13.595 -3.775 -44.346 1.00 43.13 H new ATOM 1283 N ALA A 81 11.040 -3.872 -45.482 1.00 21.32 N ATOM 1284 CA ALA A 81 9.947 -3.082 -46.035 1.00 55.31 C ATOM 1285 C ALA A 81 8.671 -3.911 -46.144 1.00 31.04 C ATOM 1286 O ALA A 81 7.640 -3.557 -45.572 1.00 33.41 O ATOM 1287 CB ALA A 81 10.335 -2.527 -47.398 1.00 13.35 C ATOM 0 H ALA A 81 11.875 -3.905 -46.067 1.00 21.32 H new ATOM 0 HA ALA A 81 9.753 -2.251 -45.357 1.00 55.31 H new ATOM 0 HB1 ALA A 81 9.510 -1.939 -47.800 1.00 13.35 H new ATOM 0 HB2 ALA A 81 11.216 -1.893 -47.295 1.00 13.35 H new ATOM 0 HB3 ALA A 81 10.558 -3.351 -48.076 1.00 13.35 H new ATOM 1293 N SER A 82 8.749 -5.014 -46.880 1.00 54.12 N ATOM 1294 CA SER A 82 7.598 -5.890 -47.067 1.00 14.13 C ATOM 1295 C SER A 82 7.011 -6.311 -45.722 1.00 30.51 C ATOM 1296 O SER A 82 5.811 -6.176 -45.488 1.00 1.33 O ATOM 1297 CB SER A 82 7.999 -7.129 -47.871 1.00 73.02 C ATOM 1298 OG SER A 82 8.899 -6.793 -48.912 1.00 11.21 O ATOM 0 H SER A 82 9.596 -5.323 -47.357 1.00 54.12 H new ATOM 0 HA SER A 82 6.838 -5.337 -47.619 1.00 14.13 H new ATOM 0 HB2 SER A 82 8.461 -7.862 -47.209 1.00 73.02 H new ATOM 0 HB3 SER A 82 7.109 -7.596 -48.292 1.00 73.02 H new ATOM 0 HG SER A 82 9.662 -7.407 -48.896 1.00 11.21 H new ATOM 1304 N ALA A 83 7.868 -6.820 -44.843 1.00 34.11 N ATOM 1305 CA ALA A 83 7.437 -7.257 -43.522 1.00 62.10 C ATOM 1306 C ALA A 83 6.735 -6.130 -42.771 1.00 53.55 C ATOM 1307 O ALA A 83 5.667 -6.327 -42.193 1.00 1.10 O ATOM 1308 CB ALA A 83 8.626 -7.767 -42.720 1.00 14.31 C ATOM 0 H ALA A 83 8.865 -6.940 -45.023 1.00 34.11 H new ATOM 0 HA ALA A 83 6.724 -8.071 -43.652 1.00 62.10 H new ATOM 0 HB1 ALA A 83 8.289 -8.090 -41.735 1.00 14.31 H new ATOM 0 HB2 ALA A 83 9.083 -8.608 -43.241 1.00 14.31 H new ATOM 0 HB3 ALA A 83 9.359 -6.968 -42.608 1.00 14.31 H new ATOM 1314 N ARG A 84 7.344 -4.949 -42.784 1.00 14.24 N ATOM 1315 CA ARG A 84 6.778 -3.790 -42.103 1.00 42.23 C ATOM 1316 C ARG A 84 5.370 -3.495 -42.612 1.00 55.53 C ATOM 1317 O ARG A 84 4.462 -3.223 -41.828 1.00 43.13 O ATOM 1318 CB ARG A 84 7.673 -2.566 -42.306 1.00 72.41 C ATOM 1319 CG ARG A 84 8.885 -2.539 -41.389 1.00 43.35 C ATOM 1320 CD ARG A 84 9.711 -1.278 -41.594 1.00 30.14 C ATOM 1321 NE ARG A 84 10.277 -1.208 -42.938 1.00 24.42 N ATOM 1322 CZ ARG A 84 10.713 -0.083 -43.494 1.00 23.24 C ATOM 1323 NH1 ARG A 84 10.649 1.059 -42.825 1.00 30.24 N ATOM 1324 NH2 ARG A 84 11.216 -0.100 -44.722 1.00 14.35 N ATOM 0 H ARG A 84 8.229 -4.769 -43.258 1.00 14.24 H new ATOM 0 HA ARG A 84 6.721 -4.017 -41.038 1.00 42.23 H new ATOM 0 HB2 ARG A 84 8.011 -2.541 -43.342 1.00 72.41 H new ATOM 0 HB3 ARG A 84 7.083 -1.664 -42.142 1.00 72.41 H new ATOM 0 HG2 ARG A 84 8.558 -2.596 -40.351 1.00 43.35 H new ATOM 0 HG3 ARG A 84 9.505 -3.416 -41.577 1.00 43.35 H new ATOM 0 HD2 ARG A 84 9.086 -0.403 -41.418 1.00 30.14 H new ATOM 0 HD3 ARG A 84 10.516 -1.248 -40.860 1.00 30.14 H new ATOM 0 HE ARG A 84 10.341 -2.070 -43.480 1.00 24.42 H new ATOM 0 HH11 ARG A 84 10.264 1.076 -41.881 1.00 30.24 H new ATOM 0 HH12 ARG A 84 10.985 1.921 -43.255 1.00 30.24 H new ATOM 0 HH21 ARG A 84 11.268 -0.977 -45.240 1.00 14.35 H new ATOM 0 HH22 ARG A 84 11.551 0.764 -45.148 1.00 14.35 H new ATOM 1338 N GLU A 85 5.198 -3.550 -43.929 1.00 51.11 N ATOM 1339 CA GLU A 85 3.902 -3.287 -44.541 1.00 55.12 C ATOM 1340 C GLU A 85 2.881 -4.344 -44.129 1.00 1.33 C ATOM 1341 O GLU A 85 1.754 -4.021 -43.750 1.00 32.23 O ATOM 1342 CB GLU A 85 4.029 -3.254 -46.065 1.00 75.34 C ATOM 1343 CG GLU A 85 4.906 -2.123 -46.578 1.00 45.21 C ATOM 1344 CD GLU A 85 4.120 -0.856 -46.856 1.00 21.03 C ATOM 1345 OE1 GLU A 85 3.769 -0.151 -45.887 1.00 3.32 O ATOM 1346 OE2 GLU A 85 3.858 -0.570 -48.043 1.00 42.31 O ATOM 0 H GLU A 85 5.940 -3.774 -44.592 1.00 51.11 H new ATOM 0 HA GLU A 85 3.555 -2.315 -44.191 1.00 55.12 H new ATOM 0 HB2 GLU A 85 4.438 -4.204 -46.408 1.00 75.34 H new ATOM 0 HB3 GLU A 85 3.035 -3.159 -46.502 1.00 75.34 H new ATOM 0 HG2 GLU A 85 5.684 -1.910 -45.845 1.00 45.21 H new ATOM 0 HG3 GLU A 85 5.408 -2.443 -47.491 1.00 45.21 H new ATOM 1353 N LEU A 86 3.283 -5.607 -44.206 1.00 22.40 N ATOM 1354 CA LEU A 86 2.404 -6.714 -43.841 1.00 21.33 C ATOM 1355 C LEU A 86 1.874 -6.543 -42.421 1.00 20.32 C ATOM 1356 O LEU A 86 0.672 -6.652 -42.179 1.00 2.34 O ATOM 1357 CB LEU A 86 3.148 -8.044 -43.964 1.00 74.11 C ATOM 1358 CG LEU A 86 3.024 -8.761 -45.309 1.00 10.31 C ATOM 1359 CD1 LEU A 86 1.568 -9.072 -45.616 1.00 65.15 C ATOM 1360 CD2 LEU A 86 3.637 -7.920 -46.420 1.00 0.22 C ATOM 0 H LEU A 86 4.212 -5.891 -44.518 1.00 22.40 H new ATOM 0 HA LEU A 86 1.557 -6.715 -44.527 1.00 21.33 H new ATOM 0 HB2 LEU A 86 4.205 -7.866 -43.766 1.00 74.11 H new ATOM 0 HB3 LEU A 86 2.786 -8.713 -43.183 1.00 74.11 H new ATOM 0 HG LEU A 86 3.570 -9.702 -45.249 1.00 10.31 H new ATOM 0 HD11 LEU A 86 1.500 -9.582 -46.577 1.00 65.15 H new ATOM 0 HD12 LEU A 86 1.160 -9.714 -44.835 1.00 65.15 H new ATOM 0 HD13 LEU A 86 0.998 -8.144 -45.657 1.00 65.15 H new ATOM 0 HD21 LEU A 86 3.540 -8.446 -47.370 1.00 0.22 H new ATOM 0 HD22 LEU A 86 3.119 -6.963 -46.480 1.00 0.22 H new ATOM 0 HD23 LEU A 86 4.692 -7.748 -46.207 1.00 0.22 H new ATOM 1372 N MET A 87 2.779 -6.272 -41.487 1.00 55.22 N ATOM 1373 CA MET A 87 2.402 -6.083 -40.091 1.00 3.41 C ATOM 1374 C MET A 87 1.649 -4.770 -39.904 1.00 3.31 C ATOM 1375 O MET A 87 0.764 -4.665 -39.054 1.00 33.02 O ATOM 1376 CB MET A 87 3.644 -6.104 -39.197 1.00 13.51 C ATOM 1377 CG MET A 87 4.042 -7.498 -38.743 1.00 72.40 C ATOM 1378 SD MET A 87 4.950 -8.408 -40.008 1.00 23.01 S ATOM 1379 CE MET A 87 3.630 -9.372 -40.742 1.00 34.44 C ATOM 0 H MET A 87 3.778 -6.178 -41.671 1.00 55.22 H new ATOM 0 HA MET A 87 1.743 -6.903 -39.805 1.00 3.41 H new ATOM 0 HB2 MET A 87 4.478 -5.655 -39.737 1.00 13.51 H new ATOM 0 HB3 MET A 87 3.461 -5.484 -38.320 1.00 13.51 H new ATOM 0 HG2 MET A 87 4.655 -7.422 -37.845 1.00 72.40 H new ATOM 0 HG3 MET A 87 3.147 -8.057 -38.471 1.00 72.40 H new ATOM 0 HE1 MET A 87 3.925 -9.691 -41.742 1.00 34.44 H new ATOM 0 HE2 MET A 87 3.433 -10.249 -40.125 1.00 34.44 H new ATOM 0 HE3 MET A 87 2.728 -8.764 -40.806 1.00 34.44 H new ATOM 1389 N LEU A 88 2.005 -3.770 -40.704 1.00 0.04 N ATOM 1390 CA LEU A 88 1.363 -2.462 -40.626 1.00 32.32 C ATOM 1391 C LEU A 88 -0.138 -2.578 -40.872 1.00 31.41 C ATOM 1392 O LEU A 88 -0.947 -2.152 -40.048 1.00 51.04 O ATOM 1393 CB LEU A 88 1.986 -1.505 -41.644 1.00 71.42 C ATOM 1394 CG LEU A 88 1.400 -0.094 -41.683 1.00 15.31 C ATOM 1395 CD1 LEU A 88 2.458 0.912 -42.112 1.00 0.02 C ATOM 1396 CD2 LEU A 88 0.201 -0.040 -42.619 1.00 33.15 C ATOM 0 H LEU A 88 2.734 -3.840 -41.414 1.00 0.04 H new ATOM 0 HA LEU A 88 1.519 -2.066 -39.622 1.00 32.32 H new ATOM 0 HB2 LEU A 88 3.053 -1.428 -41.435 1.00 71.42 H new ATOM 0 HB3 LEU A 88 1.886 -1.946 -42.636 1.00 71.42 H new ATOM 0 HG LEU A 88 1.065 0.167 -40.679 1.00 15.31 H new ATOM 0 HD11 LEU A 88 2.022 1.911 -42.134 1.00 0.02 H new ATOM 0 HD12 LEU A 88 3.287 0.893 -41.404 1.00 0.02 H new ATOM 0 HD13 LEU A 88 2.824 0.654 -43.106 1.00 0.02 H new ATOM 0 HD21 LEU A 88 -0.203 0.972 -42.634 1.00 33.15 H new ATOM 0 HD22 LEU A 88 0.512 -0.322 -43.625 1.00 33.15 H new ATOM 0 HD23 LEU A 88 -0.565 -0.732 -42.269 1.00 33.15 H new ATOM 1408 N ALA A 89 -0.503 -3.158 -42.010 1.00 5.24 N ATOM 1409 CA ALA A 89 -1.906 -3.333 -42.363 1.00 72.31 C ATOM 1410 C ALA A 89 -2.506 -4.539 -41.647 1.00 53.31 C ATOM 1411 O ALA A 89 -3.716 -4.605 -41.431 1.00 61.11 O ATOM 1412 CB ALA A 89 -2.057 -3.482 -43.870 1.00 53.34 C ATOM 0 H ALA A 89 0.154 -3.515 -42.704 1.00 5.24 H new ATOM 0 HA ALA A 89 -2.450 -2.445 -42.041 1.00 72.31 H new ATOM 0 HB1 ALA A 89 -3.110 -3.612 -44.119 1.00 53.34 H new ATOM 0 HB2 ALA A 89 -1.675 -2.589 -44.364 1.00 53.34 H new ATOM 0 HB3 ALA A 89 -1.494 -4.352 -44.208 1.00 53.34 H new ATOM 1418 N GLN A 90 -1.651 -5.491 -41.284 1.00 12.11 N ATOM 1419 CA GLN A 90 -2.099 -6.695 -40.593 1.00 12.45 C ATOM 1420 C GLN A 90 -1.217 -6.987 -39.383 1.00 41.24 C ATOM 1421 O GLN A 90 -0.390 -7.899 -39.392 1.00 10.03 O ATOM 1422 CB GLN A 90 -2.086 -7.889 -41.549 1.00 3.41 C ATOM 1423 CG GLN A 90 -3.434 -8.167 -42.192 1.00 23.53 C ATOM 1424 CD GLN A 90 -3.666 -9.643 -42.450 1.00 74.41 C ATOM 1425 OE1 GLN A 90 -4.731 -10.179 -42.145 1.00 50.25 O ATOM 1426 NE2 GLN A 90 -2.666 -10.309 -43.015 1.00 33.14 N ATOM 0 H GLN A 90 -0.646 -5.452 -41.457 1.00 12.11 H new ATOM 0 HA GLN A 90 -3.118 -6.528 -40.245 1.00 12.45 H new ATOM 0 HB2 GLN A 90 -1.349 -7.709 -42.332 1.00 3.41 H new ATOM 0 HB3 GLN A 90 -1.762 -8.776 -41.005 1.00 3.41 H new ATOM 0 HG2 GLN A 90 -4.225 -7.786 -41.546 1.00 23.53 H new ATOM 0 HG3 GLN A 90 -3.502 -7.623 -43.134 1.00 23.53 H new ATOM 0 HE21 GLN A 90 -1.800 -9.825 -43.252 1.00 33.14 H new ATOM 0 HE22 GLN A 90 -2.764 -11.305 -43.213 1.00 33.14 H new ATOM 1435 N PRO A 91 -1.397 -6.195 -38.315 1.00 51.14 N ATOM 1436 CA PRO A 91 -0.628 -6.351 -37.077 1.00 32.24 C ATOM 1437 C PRO A 91 -0.997 -7.622 -36.319 1.00 54.10 C ATOM 1438 O PRO A 91 -0.341 -7.988 -35.346 1.00 35.34 O ATOM 1439 CB PRO A 91 -1.012 -5.113 -36.262 1.00 71.34 C ATOM 1440 CG PRO A 91 -2.357 -4.726 -36.774 1.00 71.22 C ATOM 1441 CD PRO A 91 -2.366 -5.089 -38.233 1.00 34.13 C ATOM 0 HA PRO A 91 0.441 -6.437 -37.271 1.00 32.24 H new ATOM 0 HB2 PRO A 91 -1.043 -5.335 -35.195 1.00 71.34 H new ATOM 0 HB3 PRO A 91 -0.289 -4.309 -36.399 1.00 71.34 H new ATOM 0 HG2 PRO A 91 -3.145 -5.253 -36.236 1.00 71.22 H new ATOM 0 HG3 PRO A 91 -2.535 -3.659 -36.636 1.00 71.22 H new ATOM 0 HD2 PRO A 91 -3.357 -5.398 -38.564 1.00 34.13 H new ATOM 0 HD3 PRO A 91 -2.069 -4.247 -38.858 1.00 34.13 H new ATOM 1449 N SER A 92 -2.052 -8.291 -36.775 1.00 20.51 N ATOM 1450 CA SER A 92 -2.511 -9.520 -36.138 1.00 11.34 C ATOM 1451 C SER A 92 -1.403 -10.569 -36.121 1.00 43.02 C ATOM 1452 O SER A 92 -1.406 -11.476 -35.289 1.00 60.53 O ATOM 1453 CB SER A 92 -3.738 -10.070 -36.868 1.00 1.20 C ATOM 1454 OG SER A 92 -3.366 -11.041 -37.830 1.00 33.02 O ATOM 0 H SER A 92 -2.604 -8.003 -37.583 1.00 20.51 H new ATOM 0 HA SER A 92 -2.783 -9.287 -35.109 1.00 11.34 H new ATOM 0 HB2 SER A 92 -4.426 -10.512 -36.147 1.00 1.20 H new ATOM 0 HB3 SER A 92 -4.270 -9.254 -37.357 1.00 1.20 H new ATOM 0 HG SER A 92 -4.168 -11.378 -38.281 1.00 33.02 H new ATOM 1460 N MET A 93 -0.457 -10.437 -37.045 1.00 64.00 N ATOM 1461 CA MET A 93 0.657 -11.372 -37.136 1.00 11.03 C ATOM 1462 C MET A 93 1.736 -11.034 -36.111 1.00 22.03 C ATOM 1463 O MET A 93 2.573 -11.873 -35.776 1.00 62.52 O ATOM 1464 CB MET A 93 1.254 -11.353 -38.545 1.00 21.24 C ATOM 1465 CG MET A 93 0.508 -12.236 -39.533 1.00 71.33 C ATOM 1466 SD MET A 93 0.476 -11.543 -41.197 1.00 63.23 S ATOM 1467 CE MET A 93 0.754 -13.014 -42.181 1.00 50.03 C ATOM 0 H MET A 93 -0.440 -9.692 -37.741 1.00 64.00 H new ATOM 0 HA MET A 93 0.277 -12.371 -36.923 1.00 11.03 H new ATOM 0 HB2 MET A 93 1.256 -10.328 -38.916 1.00 21.24 H new ATOM 0 HB3 MET A 93 2.294 -11.676 -38.495 1.00 21.24 H new ATOM 0 HG2 MET A 93 0.978 -13.219 -39.562 1.00 71.33 H new ATOM 0 HG3 MET A 93 -0.514 -12.381 -39.184 1.00 71.33 H new ATOM 0 HE1 MET A 93 0.761 -12.749 -43.238 1.00 50.03 H new ATOM 0 HE2 MET A 93 1.713 -13.456 -41.911 1.00 50.03 H new ATOM 0 HE3 MET A 93 -0.043 -13.733 -41.993 1.00 50.03 H new ATOM 1477 N VAL A 94 1.708 -9.801 -35.615 1.00 52.44 N ATOM 1478 CA VAL A 94 2.682 -9.354 -34.626 1.00 10.35 C ATOM 1479 C VAL A 94 2.665 -10.248 -33.393 1.00 43.41 C ATOM 1480 O VAL A 94 1.608 -10.711 -32.962 1.00 40.44 O ATOM 1481 CB VAL A 94 2.417 -7.899 -34.196 1.00 33.42 C ATOM 1482 CG1 VAL A 94 3.466 -7.437 -33.196 1.00 75.05 C ATOM 1483 CG2 VAL A 94 2.386 -6.981 -35.410 1.00 35.21 C ATOM 0 H VAL A 94 1.022 -9.095 -35.881 1.00 52.44 H new ATOM 0 HA VAL A 94 3.662 -9.413 -35.099 1.00 10.35 H new ATOM 0 HB VAL A 94 1.442 -7.855 -33.710 1.00 33.42 H new ATOM 0 HG11 VAL A 94 3.262 -6.407 -32.904 1.00 75.05 H new ATOM 0 HG12 VAL A 94 3.435 -8.077 -32.314 1.00 75.05 H new ATOM 0 HG13 VAL A 94 4.454 -7.496 -33.652 1.00 75.05 H new ATOM 0 HG21 VAL A 94 2.198 -5.957 -35.087 1.00 35.21 H new ATOM 0 HG22 VAL A 94 3.345 -7.028 -35.926 1.00 35.21 H new ATOM 0 HG23 VAL A 94 1.593 -7.300 -36.087 1.00 35.21 H new ATOM 1493 N LYS A 95 3.842 -10.489 -32.826 1.00 21.24 N ATOM 1494 CA LYS A 95 3.964 -11.327 -31.639 1.00 1.24 C ATOM 1495 C LYS A 95 3.007 -10.864 -30.546 1.00 13.35 C ATOM 1496 O LYS A 95 2.504 -9.741 -30.582 1.00 52.22 O ATOM 1497 CB LYS A 95 5.402 -11.301 -31.117 1.00 62.41 C ATOM 1498 CG LYS A 95 6.374 -12.095 -31.972 1.00 12.43 C ATOM 1499 CD LYS A 95 6.830 -13.363 -31.271 1.00 23.31 C ATOM 1500 CE LYS A 95 5.843 -14.501 -31.481 1.00 33.13 C ATOM 1501 NZ LYS A 95 5.079 -14.809 -30.240 1.00 64.41 N ATOM 0 H LYS A 95 4.726 -10.115 -33.170 1.00 21.24 H new ATOM 0 HA LYS A 95 3.703 -12.348 -31.917 1.00 1.24 H new ATOM 0 HB2 LYS A 95 5.741 -10.267 -31.062 1.00 62.41 H new ATOM 0 HB3 LYS A 95 5.418 -11.696 -30.101 1.00 62.41 H new ATOM 0 HG2 LYS A 95 5.900 -12.353 -32.919 1.00 12.43 H new ATOM 0 HG3 LYS A 95 7.241 -11.477 -32.207 1.00 12.43 H new ATOM 0 HD2 LYS A 95 7.810 -13.656 -31.647 1.00 23.31 H new ATOM 0 HD3 LYS A 95 6.943 -13.170 -30.204 1.00 23.31 H new ATOM 0 HE2 LYS A 95 5.149 -14.237 -32.279 1.00 33.13 H new ATOM 0 HE3 LYS A 95 6.380 -15.392 -31.807 1.00 33.13 H new ATOM 0 HZ1 LYS A 95 4.326 -15.493 -30.457 1.00 64.41 H new ATOM 0 HZ2 LYS A 95 5.721 -15.214 -29.529 1.00 64.41 H new ATOM 0 HZ3 LYS A 95 4.656 -13.935 -29.867 1.00 64.41 H new ATOM 1515 N ARG A 96 2.761 -11.736 -29.573 1.00 23.43 N ATOM 1516 CA ARG A 96 1.863 -11.416 -28.469 1.00 52.42 C ATOM 1517 C ARG A 96 1.863 -12.532 -27.429 1.00 73.24 C ATOM 1518 O ARG A 96 2.235 -13.672 -27.705 1.00 25.00 O ATOM 1519 CB ARG A 96 0.443 -11.187 -28.989 1.00 2.41 C ATOM 1520 CG ARG A 96 0.090 -12.039 -30.197 1.00 32.35 C ATOM 1521 CD ARG A 96 0.284 -13.520 -29.909 1.00 1.31 C ATOM 1522 NE ARG A 96 -0.492 -14.360 -30.817 1.00 4.33 N ATOM 1523 CZ ARG A 96 -0.213 -14.497 -32.109 1.00 22.53 C ATOM 1524 NH1 ARG A 96 0.818 -13.854 -32.641 1.00 21.10 N ATOM 1525 NH2 ARG A 96 -0.965 -15.280 -32.871 1.00 31.42 N ATOM 0 H ARG A 96 3.171 -12.669 -29.527 1.00 23.43 H new ATOM 0 HA ARG A 96 2.220 -10.502 -27.995 1.00 52.42 H new ATOM 0 HB2 ARG A 96 -0.266 -11.397 -28.188 1.00 2.41 H new ATOM 0 HB3 ARG A 96 0.327 -10.135 -29.251 1.00 2.41 H new ATOM 0 HG2 ARG A 96 -0.946 -11.855 -30.483 1.00 32.35 H new ATOM 0 HG3 ARG A 96 0.711 -11.747 -31.044 1.00 32.35 H new ATOM 0 HD2 ARG A 96 1.341 -13.771 -29.997 1.00 1.31 H new ATOM 0 HD3 ARG A 96 -0.009 -13.731 -28.881 1.00 1.31 H new ATOM 0 HE ARG A 96 -1.291 -14.869 -30.439 1.00 4.33 H new ATOM 0 HH11 ARG A 96 1.400 -13.252 -32.058 1.00 21.10 H new ATOM 0 HH12 ARG A 96 1.029 -13.961 -33.633 1.00 21.10 H new ATOM 0 HH21 ARG A 96 -1.758 -15.777 -32.465 1.00 31.42 H new ATOM 0 HH22 ARG A 96 -0.750 -15.385 -33.863 1.00 31.42 H new ATOM 1539 N PRO A 97 1.435 -12.197 -26.203 1.00 5.45 N ATOM 1540 CA PRO A 97 0.989 -10.843 -25.861 1.00 55.21 C ATOM 1541 C PRO A 97 2.141 -9.843 -25.840 1.00 1.12 C ATOM 1542 O PRO A 97 3.292 -10.210 -25.601 1.00 11.34 O ATOM 1543 CB PRO A 97 0.396 -11.007 -24.459 1.00 63.23 C ATOM 1544 CG PRO A 97 1.089 -12.198 -23.892 1.00 53.40 C ATOM 1545 CD PRO A 97 1.353 -13.116 -25.054 1.00 14.11 C ATOM 0 HA PRO A 97 0.283 -10.449 -26.592 1.00 55.21 H new ATOM 0 HB2 PRO A 97 0.570 -10.120 -23.849 1.00 63.23 H new ATOM 0 HB3 PRO A 97 -0.683 -11.159 -24.501 1.00 63.23 H new ATOM 0 HG2 PRO A 97 2.019 -11.911 -23.402 1.00 53.40 H new ATOM 0 HG3 PRO A 97 0.470 -12.688 -23.140 1.00 53.40 H new ATOM 0 HD2 PRO A 97 2.278 -13.677 -24.921 1.00 14.11 H new ATOM 0 HD3 PRO A 97 0.553 -13.846 -25.179 1.00 14.11 H new ATOM 1553 N VAL A 98 1.823 -8.576 -26.088 1.00 75.11 N ATOM 1554 CA VAL A 98 2.831 -7.523 -26.095 1.00 22.51 C ATOM 1555 C VAL A 98 2.586 -6.520 -24.974 1.00 20.24 C ATOM 1556 O VAL A 98 1.442 -6.181 -24.669 1.00 74.34 O ATOM 1557 CB VAL A 98 2.852 -6.775 -27.442 1.00 62.21 C ATOM 1558 CG1 VAL A 98 3.876 -5.651 -27.413 1.00 65.22 C ATOM 1559 CG2 VAL A 98 3.140 -7.740 -28.583 1.00 73.13 C ATOM 0 H VAL A 98 0.876 -8.254 -26.287 1.00 75.11 H new ATOM 0 HA VAL A 98 3.795 -8.007 -25.941 1.00 22.51 H new ATOM 0 HB VAL A 98 1.869 -6.334 -27.608 1.00 62.21 H new ATOM 0 HG11 VAL A 98 3.876 -5.134 -28.373 1.00 65.22 H new ATOM 0 HG12 VAL A 98 3.620 -4.946 -26.622 1.00 65.22 H new ATOM 0 HG13 VAL A 98 4.866 -6.066 -27.224 1.00 65.22 H new ATOM 0 HG21 VAL A 98 3.151 -7.195 -29.527 1.00 73.13 H new ATOM 0 HG22 VAL A 98 4.110 -8.211 -28.425 1.00 73.13 H new ATOM 0 HG23 VAL A 98 2.365 -8.506 -28.616 1.00 73.13 H new ATOM 1569 N LEU A 99 3.667 -6.049 -24.363 1.00 44.10 N ATOM 1570 CA LEU A 99 3.570 -5.083 -23.273 1.00 22.24 C ATOM 1571 C LEU A 99 4.152 -3.735 -23.687 1.00 30.44 C ATOM 1572 O LEU A 99 5.315 -3.646 -24.080 1.00 63.23 O ATOM 1573 CB LEU A 99 4.298 -5.607 -22.035 1.00 31.22 C ATOM 1574 CG LEU A 99 3.506 -6.567 -21.146 1.00 2.12 C ATOM 1575 CD1 LEU A 99 3.353 -7.920 -21.823 1.00 64.20 C ATOM 1576 CD2 LEU A 99 4.181 -6.719 -19.791 1.00 2.44 C ATOM 0 H LEU A 99 4.621 -6.320 -24.603 1.00 44.10 H new ATOM 0 HA LEU A 99 2.515 -4.945 -23.035 1.00 22.24 H new ATOM 0 HB2 LEU A 99 5.208 -6.112 -22.360 1.00 31.22 H new ATOM 0 HB3 LEU A 99 4.605 -4.754 -21.430 1.00 31.22 H new ATOM 0 HG LEU A 99 2.512 -6.149 -20.989 1.00 2.12 H new ATOM 0 HD11 LEU A 99 2.787 -8.589 -21.175 1.00 64.20 H new ATOM 0 HD12 LEU A 99 2.824 -7.796 -22.768 1.00 64.20 H new ATOM 0 HD13 LEU A 99 4.338 -8.346 -22.012 1.00 64.20 H new ATOM 0 HD21 LEU A 99 3.604 -7.406 -19.172 1.00 2.44 H new ATOM 0 HD22 LEU A 99 5.188 -7.113 -19.928 1.00 2.44 H new ATOM 0 HD23 LEU A 99 4.236 -5.747 -19.301 1.00 2.44 H new ATOM 1588 N GLU A 100 3.335 -2.690 -23.594 1.00 64.22 N ATOM 1589 CA GLU A 100 3.771 -1.347 -23.958 1.00 43.31 C ATOM 1590 C GLU A 100 3.907 -0.465 -22.720 1.00 30.33 C ATOM 1591 O GLU A 100 2.931 -0.213 -22.014 1.00 5.33 O ATOM 1592 CB GLU A 100 2.784 -0.715 -24.942 1.00 12.53 C ATOM 1593 CG GLU A 100 3.436 0.236 -25.932 1.00 51.33 C ATOM 1594 CD GLU A 100 2.474 1.289 -26.448 1.00 23.35 C ATOM 1595 OE1 GLU A 100 1.526 0.921 -27.173 1.00 3.32 O ATOM 1596 OE2 GLU A 100 2.669 2.479 -26.127 1.00 13.23 O ATOM 0 H GLU A 100 2.369 -2.748 -23.270 1.00 64.22 H new ATOM 0 HA GLU A 100 4.748 -1.427 -24.435 1.00 43.31 H new ATOM 0 HB2 GLU A 100 2.276 -1.507 -25.492 1.00 12.53 H new ATOM 0 HB3 GLU A 100 2.021 -0.175 -24.382 1.00 12.53 H new ATOM 0 HG2 GLU A 100 4.284 0.727 -25.454 1.00 51.33 H new ATOM 0 HG3 GLU A 100 3.830 -0.335 -26.773 1.00 51.33 H new ATOM 1603 N ARG A 101 5.125 0.001 -22.464 1.00 4.25 N ATOM 1604 CA ARG A 101 5.390 0.853 -21.311 1.00 32.41 C ATOM 1605 C ARG A 101 6.223 2.067 -21.712 1.00 74.21 C ATOM 1606 O ARG A 101 7.405 1.944 -22.031 1.00 12.55 O ATOM 1607 CB ARG A 101 6.115 0.061 -20.221 1.00 44.21 C ATOM 1608 CG ARG A 101 5.693 0.439 -18.810 1.00 1.21 C ATOM 1609 CD ARG A 101 6.814 0.207 -17.811 1.00 54.35 C ATOM 1610 NE ARG A 101 6.399 -0.663 -16.714 1.00 52.24 N ATOM 1611 CZ ARG A 101 6.270 -1.979 -16.827 1.00 25.22 C ATOM 1612 NH1 ARG A 101 6.522 -2.576 -17.984 1.00 24.34 N ATOM 1613 NH2 ARG A 101 5.887 -2.703 -15.783 1.00 11.44 N ATOM 0 H ARG A 101 5.944 -0.197 -23.039 1.00 4.25 H new ATOM 0 HA ARG A 101 4.434 1.203 -20.922 1.00 32.41 H new ATOM 0 HB2 ARG A 101 5.931 -1.003 -20.373 1.00 44.21 H new ATOM 0 HB3 ARG A 101 7.189 0.217 -20.324 1.00 44.21 H new ATOM 0 HG2 ARG A 101 5.395 1.487 -18.787 1.00 1.21 H new ATOM 0 HG3 ARG A 101 4.820 -0.147 -18.521 1.00 1.21 H new ATOM 0 HD2 ARG A 101 7.669 -0.237 -18.322 1.00 54.35 H new ATOM 0 HD3 ARG A 101 7.145 1.165 -17.409 1.00 54.35 H new ATOM 0 HE ARG A 101 6.197 -0.235 -15.810 1.00 52.24 H new ATOM 0 HH11 ARG A 101 6.816 -2.024 -18.790 1.00 24.34 H new ATOM 0 HH12 ARG A 101 6.422 -3.588 -18.068 1.00 24.34 H new ATOM 0 HH21 ARG A 101 5.691 -2.248 -14.891 1.00 11.44 H new ATOM 0 HH22 ARG A 101 5.789 -3.714 -15.872 1.00 11.44 H new ATOM 1627 N ASP A 102 5.598 3.238 -21.693 1.00 73.03 N ATOM 1628 CA ASP A 102 6.281 4.476 -22.054 1.00 63.23 C ATOM 1629 C ASP A 102 6.915 4.363 -23.437 1.00 24.24 C ATOM 1630 O ASP A 102 7.923 5.007 -23.724 1.00 10.42 O ATOM 1631 CB ASP A 102 7.351 4.814 -21.016 1.00 41.13 C ATOM 1632 CG ASP A 102 6.791 4.881 -19.608 1.00 72.41 C ATOM 1633 OD1 ASP A 102 5.740 5.529 -19.418 1.00 51.21 O ATOM 1634 OD2 ASP A 102 7.403 4.285 -18.697 1.00 22.03 O ATOM 0 H ASP A 102 4.619 3.357 -21.432 1.00 73.03 H new ATOM 0 HA ASP A 102 5.542 5.277 -22.077 1.00 63.23 H new ATOM 0 HB2 ASP A 102 8.140 4.063 -21.055 1.00 41.13 H new ATOM 0 HB3 ASP A 102 7.808 5.771 -21.268 1.00 41.13 H new ATOM 1639 N GLY A 103 6.317 3.537 -24.292 1.00 2.43 N ATOM 1640 CA GLY A 103 6.837 3.354 -25.634 1.00 31.54 C ATOM 1641 C GLY A 103 7.551 2.027 -25.802 1.00 30.50 C ATOM 1642 O GLY A 103 7.375 1.342 -26.811 1.00 10.41 O ATOM 0 H GLY A 103 5.482 2.992 -24.078 1.00 2.43 H new ATOM 0 HA2 GLY A 103 6.017 3.415 -26.350 1.00 31.54 H new ATOM 0 HA3 GLY A 103 7.526 4.166 -25.868 1.00 31.54 H new ATOM 1646 N LYS A 104 8.360 1.663 -24.814 1.00 25.14 N ATOM 1647 CA LYS A 104 9.104 0.409 -24.856 1.00 25.34 C ATOM 1648 C LYS A 104 8.166 -0.773 -25.076 1.00 14.23 C ATOM 1649 O LYS A 104 7.118 -0.874 -24.436 1.00 31.24 O ATOM 1650 CB LYS A 104 9.890 0.215 -23.558 1.00 11.12 C ATOM 1651 CG LYS A 104 11.090 1.138 -23.430 1.00 33.24 C ATOM 1652 CD LYS A 104 10.701 2.479 -22.832 1.00 41.15 C ATOM 1653 CE LYS A 104 11.923 3.261 -22.375 1.00 4.32 C ATOM 1654 NZ LYS A 104 11.551 4.583 -21.796 1.00 32.45 N ATOM 0 H LYS A 104 8.518 2.219 -23.973 1.00 25.14 H new ATOM 0 HA LYS A 104 9.801 0.457 -25.692 1.00 25.34 H new ATOM 0 HB2 LYS A 104 9.224 0.380 -22.711 1.00 11.12 H new ATOM 0 HB3 LYS A 104 10.230 -0.819 -23.500 1.00 11.12 H new ATOM 0 HG2 LYS A 104 11.848 0.666 -22.805 1.00 33.24 H new ATOM 0 HG3 LYS A 104 11.538 1.293 -24.412 1.00 33.24 H new ATOM 0 HD2 LYS A 104 10.150 3.062 -23.570 1.00 41.15 H new ATOM 0 HD3 LYS A 104 10.032 2.321 -21.986 1.00 41.15 H new ATOM 0 HE2 LYS A 104 12.469 2.680 -21.632 1.00 4.32 H new ATOM 0 HE3 LYS A 104 12.595 3.411 -23.220 1.00 4.32 H new ATOM 0 HZ1 LYS A 104 12.411 5.085 -21.497 1.00 32.45 H new ATOM 0 HZ2 LYS A 104 11.052 5.148 -22.513 1.00 32.45 H new ATOM 0 HZ3 LYS A 104 10.930 4.440 -20.974 1.00 32.45 H new ATOM 1668 N LEU A 105 8.548 -1.666 -25.981 1.00 31.53 N ATOM 1669 CA LEU A 105 7.742 -2.843 -26.284 1.00 20.33 C ATOM 1670 C LEU A 105 8.393 -4.107 -25.731 1.00 75.31 C ATOM 1671 O LEU A 105 9.605 -4.291 -25.839 1.00 23.42 O ATOM 1672 CB LEU A 105 7.546 -2.978 -27.796 1.00 32.41 C ATOM 1673 CG LEU A 105 6.870 -4.263 -28.273 1.00 52.15 C ATOM 1674 CD1 LEU A 105 5.927 -3.972 -29.430 1.00 35.41 C ATOM 1675 CD2 LEU A 105 7.912 -5.294 -28.679 1.00 22.22 C ATOM 0 H LEU A 105 9.412 -1.598 -26.519 1.00 31.53 H new ATOM 0 HA LEU A 105 6.770 -2.718 -25.807 1.00 20.33 H new ATOM 0 HB2 LEU A 105 6.955 -2.130 -28.143 1.00 32.41 H new ATOM 0 HB3 LEU A 105 8.522 -2.904 -28.277 1.00 32.41 H new ATOM 0 HG LEU A 105 6.286 -4.671 -27.448 1.00 52.15 H new ATOM 0 HD11 LEU A 105 5.455 -4.899 -29.756 1.00 35.41 H new ATOM 0 HD12 LEU A 105 5.160 -3.268 -29.106 1.00 35.41 H new ATOM 0 HD13 LEU A 105 6.489 -3.540 -30.258 1.00 35.41 H new ATOM 0 HD21 LEU A 105 7.413 -6.203 -29.016 1.00 22.22 H new ATOM 0 HD22 LEU A 105 8.523 -4.894 -29.488 1.00 22.22 H new ATOM 0 HD23 LEU A 105 8.548 -5.525 -27.824 1.00 22.22 H new ATOM 1687 N MET A 106 7.579 -4.975 -25.138 1.00 74.33 N ATOM 1688 CA MET A 106 8.076 -6.222 -24.570 1.00 20.31 C ATOM 1689 C MET A 106 7.224 -7.403 -25.024 1.00 43.33 C ATOM 1690 O MET A 106 6.004 -7.290 -25.152 1.00 3.02 O ATOM 1691 CB MET A 106 8.086 -6.144 -23.042 1.00 44.33 C ATOM 1692 CG MET A 106 9.233 -5.317 -22.483 1.00 71.01 C ATOM 1693 SD MET A 106 9.433 -5.521 -20.703 1.00 50.21 S ATOM 1694 CE MET A 106 10.148 -7.161 -20.627 1.00 61.54 C ATOM 0 H MET A 106 6.573 -4.837 -25.039 1.00 74.33 H new ATOM 0 HA MET A 106 9.095 -6.373 -24.925 1.00 20.31 H new ATOM 0 HB2 MET A 106 7.142 -5.718 -22.702 1.00 44.33 H new ATOM 0 HB3 MET A 106 8.145 -7.154 -22.635 1.00 44.33 H new ATOM 0 HG2 MET A 106 10.159 -5.601 -22.984 1.00 71.01 H new ATOM 0 HG3 MET A 106 9.060 -4.264 -22.707 1.00 71.01 H new ATOM 0 HE1 MET A 106 10.588 -7.321 -19.643 1.00 61.54 H new ATOM 0 HE2 MET A 106 9.371 -7.905 -20.802 1.00 61.54 H new ATOM 0 HE3 MET A 106 10.921 -7.257 -21.390 1.00 61.54 H new ATOM 1704 N VAL A 107 7.874 -8.537 -25.267 1.00 75.01 N ATOM 1705 CA VAL A 107 7.176 -9.739 -25.707 1.00 61.12 C ATOM 1706 C VAL A 107 6.808 -10.625 -24.521 1.00 44.11 C ATOM 1707 O VAL A 107 7.569 -10.747 -23.563 1.00 61.33 O ATOM 1708 CB VAL A 107 8.030 -10.554 -26.696 1.00 11.11 C ATOM 1709 CG1 VAL A 107 8.192 -9.801 -28.008 1.00 22.41 C ATOM 1710 CG2 VAL A 107 9.386 -10.879 -26.088 1.00 1.13 C ATOM 0 H VAL A 107 8.883 -8.648 -25.167 1.00 75.01 H new ATOM 0 HA VAL A 107 6.266 -9.411 -26.209 1.00 61.12 H new ATOM 0 HB VAL A 107 7.517 -11.493 -26.904 1.00 11.11 H new ATOM 0 HG11 VAL A 107 8.798 -10.392 -28.694 1.00 22.41 H new ATOM 0 HG12 VAL A 107 7.211 -9.625 -28.450 1.00 22.41 H new ATOM 0 HG13 VAL A 107 8.683 -8.846 -27.821 1.00 22.41 H new ATOM 0 HG21 VAL A 107 9.976 -11.455 -26.801 1.00 1.13 H new ATOM 0 HG22 VAL A 107 9.909 -9.953 -25.849 1.00 1.13 H new ATOM 0 HG23 VAL A 107 9.246 -11.462 -25.178 1.00 1.13 H new ATOM 1720 N GLY A 108 5.633 -11.244 -24.595 1.00 3.25 N ATOM 1721 CA GLY A 108 5.183 -12.111 -23.522 1.00 34.24 C ATOM 1722 C GLY A 108 6.094 -13.306 -23.322 1.00 63.12 C ATOM 1723 O GLY A 108 6.915 -13.620 -24.184 1.00 74.34 O ATOM 0 H GLY A 108 4.985 -11.160 -25.379 1.00 3.25 H new ATOM 0 HA2 GLY A 108 5.130 -11.540 -22.595 1.00 34.24 H new ATOM 0 HA3 GLY A 108 4.174 -12.460 -23.740 1.00 34.24 H new ATOM 1727 N PHE A 109 5.949 -13.975 -22.183 1.00 65.53 N ATOM 1728 CA PHE A 109 6.767 -15.141 -21.872 1.00 34.22 C ATOM 1729 C PHE A 109 5.918 -16.255 -21.268 1.00 13.12 C ATOM 1730 O PHE A 109 4.870 -16.001 -20.673 1.00 33.42 O ATOM 1731 CB PHE A 109 7.891 -14.759 -20.906 1.00 43.33 C ATOM 1732 CG PHE A 109 9.037 -14.051 -21.569 1.00 4.44 C ATOM 1733 CD1 PHE A 109 9.995 -14.764 -22.273 1.00 64.54 C ATOM 1734 CD2 PHE A 109 9.157 -12.673 -21.491 1.00 74.21 C ATOM 1735 CE1 PHE A 109 11.051 -14.115 -22.884 1.00 30.44 C ATOM 1736 CE2 PHE A 109 10.210 -12.019 -22.100 1.00 22.11 C ATOM 1737 CZ PHE A 109 11.158 -12.740 -22.799 1.00 13.51 C ATOM 0 H PHE A 109 5.273 -13.729 -21.460 1.00 65.53 H new ATOM 0 HA PHE A 109 7.205 -15.505 -22.801 1.00 34.22 H new ATOM 0 HB2 PHE A 109 7.484 -14.120 -20.122 1.00 43.33 H new ATOM 0 HB3 PHE A 109 8.264 -15.661 -20.420 1.00 43.33 H new ATOM 0 HD1 PHE A 109 9.915 -15.839 -22.345 1.00 64.54 H new ATOM 0 HD2 PHE A 109 8.418 -12.103 -20.947 1.00 74.21 H new ATOM 0 HE1 PHE A 109 11.792 -14.682 -23.428 1.00 30.44 H new ATOM 0 HE2 PHE A 109 10.292 -10.944 -22.030 1.00 22.11 H new ATOM 0 HZ PHE A 109 11.981 -12.230 -23.278 1.00 13.51 H new ATOM 1747 N LYS A 110 6.377 -17.492 -21.424 1.00 53.10 N ATOM 1748 CA LYS A 110 5.663 -18.647 -20.894 1.00 31.01 C ATOM 1749 C LYS A 110 5.355 -18.463 -19.411 1.00 43.41 C ATOM 1750 O LYS A 110 5.969 -17.649 -18.722 1.00 73.41 O ATOM 1751 CB LYS A 110 6.486 -19.920 -21.101 1.00 1.21 C ATOM 1752 CG LYS A 110 6.118 -20.684 -22.361 1.00 30.45 C ATOM 1753 CD LYS A 110 7.106 -21.804 -22.643 1.00 25.15 C ATOM 1754 CE LYS A 110 6.645 -23.119 -22.034 1.00 71.12 C ATOM 1755 NZ LYS A 110 5.500 -23.706 -22.782 1.00 33.33 N ATOM 0 H LYS A 110 7.242 -17.720 -21.914 1.00 53.10 H new ATOM 0 HA LYS A 110 4.721 -18.739 -21.434 1.00 31.01 H new ATOM 0 HB2 LYS A 110 7.543 -19.657 -21.141 1.00 1.21 H new ATOM 0 HB3 LYS A 110 6.353 -20.573 -20.238 1.00 1.21 H new ATOM 0 HG2 LYS A 110 5.116 -21.100 -22.256 1.00 30.45 H new ATOM 0 HG3 LYS A 110 6.092 -19.999 -23.208 1.00 30.45 H new ATOM 0 HD2 LYS A 110 7.226 -21.923 -23.720 1.00 25.15 H new ATOM 0 HD3 LYS A 110 8.084 -21.538 -22.241 1.00 25.15 H new ATOM 0 HE2 LYS A 110 7.474 -23.826 -22.027 1.00 71.12 H new ATOM 0 HE3 LYS A 110 6.355 -22.956 -20.996 1.00 71.12 H new ATOM 0 HZ1 LYS A 110 5.389 -24.706 -22.518 1.00 33.33 H new ATOM 0 HZ2 LYS A 110 4.630 -23.187 -22.547 1.00 33.33 H new ATOM 0 HZ3 LYS A 110 5.680 -23.635 -23.804 1.00 33.33 H new ATOM 1769 N PRO A 111 4.382 -19.237 -18.907 1.00 3.22 N ATOM 1770 CA PRO A 111 3.973 -19.179 -17.502 1.00 31.43 C ATOM 1771 C PRO A 111 5.037 -19.738 -16.564 1.00 53.03 C ATOM 1772 O PRO A 111 5.388 -19.112 -15.564 1.00 72.25 O ATOM 1773 CB PRO A 111 2.715 -20.051 -17.462 1.00 2.05 C ATOM 1774 CG PRO A 111 2.870 -20.993 -18.607 1.00 62.33 C ATOM 1775 CD PRO A 111 3.608 -20.230 -19.672 1.00 71.40 C ATOM 0 HA PRO A 111 3.810 -18.154 -17.168 1.00 31.43 H new ATOM 0 HB2 PRO A 111 2.635 -20.587 -16.516 1.00 2.05 H new ATOM 0 HB3 PRO A 111 1.812 -19.449 -17.564 1.00 2.05 H new ATOM 0 HG2 PRO A 111 3.425 -21.883 -18.309 1.00 62.33 H new ATOM 0 HG3 PRO A 111 1.899 -21.330 -18.970 1.00 62.33 H new ATOM 0 HD2 PRO A 111 4.257 -20.882 -20.256 1.00 71.40 H new ATOM 0 HD3 PRO A 111 2.923 -19.752 -20.372 1.00 71.40 H new ATOM 1783 N ALA A 112 5.550 -20.919 -16.894 1.00 62.44 N ATOM 1784 CA ALA A 112 6.576 -21.560 -16.082 1.00 52.52 C ATOM 1785 C ALA A 112 7.813 -20.675 -15.962 1.00 34.24 C ATOM 1786 O ALA A 112 8.429 -20.595 -14.900 1.00 74.33 O ATOM 1787 CB ALA A 112 6.948 -22.912 -16.672 1.00 45.03 C ATOM 0 H ALA A 112 5.271 -21.451 -17.718 1.00 62.44 H new ATOM 0 HA ALA A 112 6.171 -21.712 -15.082 1.00 52.52 H new ATOM 0 HB1 ALA A 112 7.715 -23.379 -16.055 1.00 45.03 H new ATOM 0 HB2 ALA A 112 6.066 -23.552 -16.700 1.00 45.03 H new ATOM 0 HB3 ALA A 112 7.330 -22.775 -17.684 1.00 45.03 H new ATOM 1793 N GLN A 113 8.171 -20.015 -17.060 1.00 34.25 N ATOM 1794 CA GLN A 113 9.336 -19.138 -17.076 1.00 42.12 C ATOM 1795 C GLN A 113 9.074 -17.871 -16.269 1.00 63.54 C ATOM 1796 O GLN A 113 9.885 -17.481 -15.428 1.00 30.03 O ATOM 1797 CB GLN A 113 9.705 -18.772 -18.515 1.00 62.35 C ATOM 1798 CG GLN A 113 9.786 -19.972 -19.446 1.00 53.13 C ATOM 1799 CD GLN A 113 10.699 -21.060 -18.916 1.00 30.34 C ATOM 1800 OE1 GLN A 113 10.271 -22.194 -18.697 1.00 1.43 O ATOM 1801 NE2 GLN A 113 11.965 -20.721 -18.707 1.00 31.33 N ATOM 0 H GLN A 113 7.672 -20.071 -17.948 1.00 34.25 H new ATOM 0 HA GLN A 113 10.169 -19.673 -16.619 1.00 42.12 H new ATOM 0 HB2 GLN A 113 8.967 -18.070 -18.903 1.00 62.35 H new ATOM 0 HB3 GLN A 113 10.666 -18.257 -18.515 1.00 62.35 H new ATOM 0 HG2 GLN A 113 8.787 -20.381 -19.593 1.00 53.13 H new ATOM 0 HG3 GLN A 113 10.144 -19.646 -20.423 1.00 53.13 H new ATOM 0 HE21 GLN A 113 12.277 -19.770 -18.902 1.00 31.33 H new ATOM 0 HE22 GLN A 113 12.626 -21.412 -18.351 1.00 31.33 H new ATOM 1810 N TYR A 114 7.939 -17.233 -16.529 1.00 74.31 N ATOM 1811 CA TYR A 114 7.573 -16.008 -15.828 1.00 32.54 C ATOM 1812 C TYR A 114 7.582 -16.221 -14.317 1.00 30.52 C ATOM 1813 O TYR A 114 8.055 -15.372 -13.563 1.00 21.43 O ATOM 1814 CB TYR A 114 6.191 -15.532 -16.278 1.00 52.21 C ATOM 1815 CG TYR A 114 6.023 -14.030 -16.233 1.00 71.23 C ATOM 1816 CD1 TYR A 114 6.937 -13.191 -16.858 1.00 2.14 C ATOM 1817 CD2 TYR A 114 4.950 -13.450 -15.568 1.00 72.04 C ATOM 1818 CE1 TYR A 114 6.788 -11.818 -16.820 1.00 70.32 C ATOM 1819 CE2 TYR A 114 4.793 -12.079 -15.526 1.00 0.14 C ATOM 1820 CZ TYR A 114 5.714 -11.267 -16.152 1.00 74.52 C ATOM 1821 OH TYR A 114 5.562 -9.899 -16.113 1.00 24.42 O ATOM 0 H TYR A 114 7.256 -17.544 -17.220 1.00 74.31 H new ATOM 0 HA TYR A 114 8.311 -15.245 -16.074 1.00 32.54 H new ATOM 0 HB2 TYR A 114 6.010 -15.879 -17.295 1.00 52.21 H new ATOM 0 HB3 TYR A 114 5.433 -15.993 -15.644 1.00 52.21 H new ATOM 0 HD1 TYR A 114 7.778 -13.619 -17.383 1.00 2.14 H new ATOM 0 HD2 TYR A 114 4.226 -14.082 -15.075 1.00 72.04 H new ATOM 0 HE1 TYR A 114 7.508 -11.180 -17.310 1.00 70.32 H new ATOM 0 HE2 TYR A 114 3.952 -11.645 -15.005 1.00 0.14 H new ATOM 0 HH TYR A 114 4.755 -9.674 -15.604 1.00 24.42 H new ATOM 1831 N GLU A 115 7.056 -17.362 -13.883 1.00 14.02 N ATOM 1832 CA GLU A 115 7.003 -17.687 -12.464 1.00 22.21 C ATOM 1833 C GLU A 115 8.398 -17.986 -11.922 1.00 15.44 C ATOM 1834 O GLU A 115 8.812 -17.433 -10.903 1.00 4.40 O ATOM 1835 CB GLU A 115 6.085 -18.888 -12.226 1.00 5.22 C ATOM 1836 CG GLU A 115 4.684 -18.701 -12.783 1.00 30.50 C ATOM 1837 CD GLU A 115 3.633 -18.591 -11.696 1.00 42.21 C ATOM 1838 OE1 GLU A 115 3.758 -17.691 -10.838 1.00 54.12 O ATOM 1839 OE2 GLU A 115 2.685 -19.403 -11.703 1.00 14.10 O ATOM 0 H GLU A 115 6.661 -18.076 -14.494 1.00 14.02 H new ATOM 0 HA GLU A 115 6.603 -16.822 -11.935 1.00 22.21 H new ATOM 0 HB2 GLU A 115 6.532 -19.772 -12.679 1.00 5.22 H new ATOM 0 HB3 GLU A 115 6.019 -19.078 -11.155 1.00 5.22 H new ATOM 0 HG2 GLU A 115 4.659 -17.802 -13.399 1.00 30.50 H new ATOM 0 HG3 GLU A 115 4.441 -19.541 -13.434 1.00 30.50 H new ATOM 1846 N ALA A 116 9.119 -18.865 -12.611 1.00 50.22 N ATOM 1847 CA ALA A 116 10.468 -19.236 -12.201 1.00 4.31 C ATOM 1848 C ALA A 116 11.380 -18.016 -12.145 1.00 51.44 C ATOM 1849 O ALA A 116 12.308 -17.959 -11.337 1.00 72.23 O ATOM 1850 CB ALA A 116 11.038 -20.282 -13.149 1.00 54.13 C ATOM 0 H ALA A 116 8.791 -19.333 -13.456 1.00 50.22 H new ATOM 0 HA ALA A 116 10.413 -19.661 -11.199 1.00 4.31 H new ATOM 0 HB1 ALA A 116 12.046 -20.550 -12.832 1.00 54.13 H new ATOM 0 HB2 ALA A 116 10.405 -21.169 -13.135 1.00 54.13 H new ATOM 0 HB3 ALA A 116 11.072 -19.877 -14.160 1.00 54.13 H new ATOM 1856 N TYR A 117 11.113 -17.042 -13.009 1.00 54.32 N ATOM 1857 CA TYR A 117 11.911 -15.824 -13.059 1.00 43.12 C ATOM 1858 C TYR A 117 11.463 -14.833 -11.990 1.00 23.32 C ATOM 1859 O TYR A 117 12.278 -14.122 -11.403 1.00 72.22 O ATOM 1860 CB TYR A 117 11.811 -15.180 -14.442 1.00 24.03 C ATOM 1861 CG TYR A 117 12.801 -14.059 -14.663 1.00 64.05 C ATOM 1862 CD1 TYR A 117 14.168 -14.307 -14.684 1.00 22.44 C ATOM 1863 CD2 TYR A 117 12.370 -12.751 -14.847 1.00 53.14 C ATOM 1864 CE1 TYR A 117 15.076 -13.286 -14.884 1.00 40.30 C ATOM 1865 CE2 TYR A 117 13.272 -11.724 -15.048 1.00 11.13 C ATOM 1866 CZ TYR A 117 14.623 -11.997 -15.066 1.00 14.53 C ATOM 1867 OH TYR A 117 15.525 -10.976 -15.265 1.00 31.20 O ATOM 0 H TYR A 117 10.349 -17.073 -13.684 1.00 54.32 H new ATOM 0 HA TYR A 117 12.949 -16.093 -12.865 1.00 43.12 H new ATOM 0 HB2 TYR A 117 11.967 -15.946 -15.202 1.00 24.03 H new ATOM 0 HB3 TYR A 117 10.801 -14.794 -14.581 1.00 24.03 H new ATOM 0 HD1 TYR A 117 14.527 -15.316 -14.541 1.00 22.44 H new ATOM 0 HD2 TYR A 117 11.312 -12.533 -14.833 1.00 53.14 H new ATOM 0 HE1 TYR A 117 16.135 -13.496 -14.898 1.00 40.30 H new ATOM 0 HE2 TYR A 117 12.921 -10.713 -15.190 1.00 11.13 H new ATOM 0 HH TYR A 117 15.042 -10.130 -15.377 1.00 31.20 H new ATOM 1877 N PHE A 118 10.157 -14.792 -11.741 1.00 14.14 N ATOM 1878 CA PHE A 118 9.597 -13.888 -10.744 1.00 2.10 C ATOM 1879 C PHE A 118 9.316 -14.627 -9.439 1.00 23.32 C ATOM 1880 O PHE A 118 8.431 -14.243 -8.673 1.00 14.34 O ATOM 1881 CB PHE A 118 8.310 -13.250 -11.269 1.00 24.24 C ATOM 1882 CG PHE A 118 7.932 -11.985 -10.551 1.00 65.14 C ATOM 1883 CD1 PHE A 118 8.803 -10.908 -10.513 1.00 41.02 C ATOM 1884 CD2 PHE A 118 6.705 -11.874 -9.916 1.00 55.11 C ATOM 1885 CE1 PHE A 118 8.458 -9.744 -9.852 1.00 73.25 C ATOM 1886 CE2 PHE A 118 6.355 -10.711 -9.254 1.00 41.31 C ATOM 1887 CZ PHE A 118 7.232 -9.646 -9.223 1.00 31.03 C ATOM 0 H PHE A 118 9.468 -15.375 -12.216 1.00 14.14 H new ATOM 0 HA PHE A 118 10.329 -13.104 -10.548 1.00 2.10 H new ATOM 0 HB2 PHE A 118 8.428 -13.034 -12.331 1.00 24.24 H new ATOM 0 HB3 PHE A 118 7.495 -13.968 -11.178 1.00 24.24 H new ATOM 0 HD1 PHE A 118 9.762 -10.979 -11.005 1.00 41.02 H new ATOM 0 HD2 PHE A 118 6.015 -12.704 -9.938 1.00 55.11 H new ATOM 0 HE1 PHE A 118 9.146 -8.912 -9.827 1.00 73.25 H new ATOM 0 HE2 PHE A 118 5.396 -10.637 -8.762 1.00 41.31 H new ATOM 0 HZ PHE A 118 6.960 -8.737 -8.707 1.00 31.03 H new ATOM 1897 N LYS A 119 10.074 -15.689 -9.191 1.00 45.31 N ATOM 1898 CA LYS A 119 9.910 -16.483 -7.979 1.00 73.12 C ATOM 1899 C LYS A 119 10.384 -15.709 -6.753 1.00 53.44 C ATOM 1900 O LYS A 119 11.132 -14.737 -6.871 1.00 11.14 O ATOM 1901 CB LYS A 119 10.683 -17.798 -8.096 1.00 41.45 C ATOM 1902 CG LYS A 119 10.254 -18.848 -7.088 1.00 3.34 C ATOM 1903 CD LYS A 119 10.937 -20.180 -7.345 1.00 40.53 C ATOM 1904 CE LYS A 119 10.404 -21.267 -6.423 1.00 22.25 C ATOM 1905 NZ LYS A 119 9.244 -21.984 -7.024 1.00 11.40 N ATOM 0 H LYS A 119 10.810 -16.021 -9.815 1.00 45.31 H new ATOM 0 HA LYS A 119 8.849 -16.703 -7.860 1.00 73.12 H new ATOM 0 HB2 LYS A 119 10.553 -18.198 -9.102 1.00 41.45 H new ATOM 0 HB3 LYS A 119 11.747 -17.597 -7.968 1.00 41.45 H new ATOM 0 HG2 LYS A 119 10.491 -18.505 -6.081 1.00 3.34 H new ATOM 0 HG3 LYS A 119 9.173 -18.978 -7.134 1.00 3.34 H new ATOM 0 HD2 LYS A 119 10.783 -20.474 -8.383 1.00 40.53 H new ATOM 0 HD3 LYS A 119 12.012 -20.073 -7.200 1.00 40.53 H new ATOM 0 HE2 LYS A 119 11.199 -21.980 -6.205 1.00 22.25 H new ATOM 0 HE3 LYS A 119 10.105 -20.823 -5.473 1.00 22.25 H new ATOM 0 HZ1 LYS A 119 8.910 -22.716 -6.366 1.00 11.40 H new ATOM 0 HZ2 LYS A 119 8.476 -21.308 -7.209 1.00 11.40 H new ATOM 0 HZ3 LYS A 119 9.536 -22.429 -7.918 1.00 11.40 H new ATOM 1919 N LEU A 120 9.945 -16.145 -5.578 1.00 51.43 N ATOM 1920 CA LEU A 120 10.327 -15.494 -4.329 1.00 62.11 C ATOM 1921 C LEU A 120 11.833 -15.578 -4.110 1.00 51.03 C ATOM 1922 O LEU A 120 12.335 -16.547 -3.541 1.00 22.42 O ATOM 1923 CB LEU A 120 9.591 -16.137 -3.152 1.00 40.12 C ATOM 1924 CG LEU A 120 9.591 -15.341 -1.846 1.00 62.42 C ATOM 1925 CD1 LEU A 120 8.438 -14.350 -1.824 1.00 62.14 C ATOM 1926 CD2 LEU A 120 9.515 -16.278 -0.649 1.00 30.24 C ATOM 0 H LEU A 120 9.324 -16.946 -5.463 1.00 51.43 H new ATOM 0 HA LEU A 120 10.047 -14.443 -4.394 1.00 62.11 H new ATOM 0 HB2 LEU A 120 8.557 -16.312 -3.448 1.00 40.12 H new ATOM 0 HB3 LEU A 120 10.037 -17.113 -2.960 1.00 40.12 H new ATOM 0 HG LEU A 120 10.525 -14.782 -1.785 1.00 62.42 H new ATOM 0 HD11 LEU A 120 8.455 -13.793 -0.887 1.00 62.14 H new ATOM 0 HD12 LEU A 120 8.538 -13.657 -2.660 1.00 62.14 H new ATOM 0 HD13 LEU A 120 7.494 -14.888 -1.909 1.00 62.14 H new ATOM 0 HD21 LEU A 120 9.516 -15.694 0.271 1.00 30.24 H new ATOM 0 HD22 LEU A 120 8.599 -16.866 -0.705 1.00 30.24 H new ATOM 0 HD23 LEU A 120 10.376 -16.947 -0.655 1.00 30.24 H new TER 1938 LEU A 120