USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 824 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 23 MET CE :methyl -150:sc= -0.0281 (180deg=-0.0435) USER MOD Set 1.2: A 88 MET CE :methyl -160:sc= -6.47! (180deg=-7.53!) USER MOD Set 2.1: A 7 TYR OH : rot 150:sc= 0 USER MOD Set 2.2: A 29 SER OG : rot -44:sc= 0.548 USER MOD Single : A 1 MET CE :methyl -118:sc= -6.36! (180deg=-7.69!) USER MOD Single : A 1 MET N :NH3+ 178:sc= 0.251 (180deg=0.0914) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 CYS SG : rot 180:sc= -0.395 USER MOD Single : A 6 MET CE :methyl -170:sc= -0.87 (180deg=-1.28) USER MOD Single : A 8 ASN : amide:sc= -3.78! C(o=-3.8!,f=-9.6!) USER MOD Single : A 10 SER OG : rot -96:sc= 1.09 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.0178 X(o=-0.018,f=-0.13) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.254 X(o=-0.25,f=-0.26) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -124:sc= -3.01! (180deg=-8.84!) USER MOD Single : A 46 MET CE :methyl -166:sc= -0.0116 (180deg=-0.247) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.236 USER MOD Single : A 71 ASN :FLIP amide:sc= -0.234 F(o=-3!,f=-0.23) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 156:sc= 0.749 (180deg=0.143) USER MOD Single : A 77 MET CE :methyl -157:sc= -5.95! (180deg=-8.78!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= -0.39 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.015 K(o=-0.015,f=-0.76) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -58:sc= 1.68 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= -0.428 X(o=-0.43,f=-0.7) USER MOD Single : A 102 LYS NZ :NH3+ -108:sc= 0.4 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.495 -0.337 0.494 1.00 62.44 N ATOM 2 CA MET A 1 2.113 -0.299 -0.827 1.00 2.33 C ATOM 3 C MET A 1 3.482 -0.971 -0.806 1.00 44.20 C ATOM 4 O MET A 1 3.993 -1.331 0.255 1.00 1.02 O ATOM 5 CB MET A 1 2.249 1.147 -1.308 1.00 1.34 C ATOM 6 CG MET A 1 2.381 2.154 -0.176 1.00 53.14 C ATOM 7 SD MET A 1 3.828 1.853 0.856 1.00 1.41 S ATOM 8 CE MET A 1 5.123 1.808 -0.381 1.00 33.22 C ATOM 0 H1 MET A 1 0.580 0.156 0.463 1.00 62.44 H new ATOM 0 H2 MET A 1 1.347 -1.326 0.779 1.00 62.44 H new ATOM 0 H3 MET A 1 2.118 0.132 1.182 1.00 62.44 H new ATOM 0 HA MET A 1 1.470 -0.845 -1.518 1.00 2.33 H new ATOM 0 HB2 MET A 1 3.122 1.225 -1.956 1.00 1.34 H new ATOM 0 HB3 MET A 1 1.379 1.404 -1.912 1.00 1.34 H new ATOM 0 HG2 MET A 1 2.440 3.159 -0.594 1.00 53.14 H new ATOM 0 HG3 MET A 1 1.484 2.119 0.443 1.00 53.14 H new ATOM 0 HE1 MET A 1 5.593 0.825 -0.380 1.00 33.22 H new ATOM 0 HE2 MET A 1 4.694 2.004 -1.364 1.00 33.22 H new ATOM 0 HE3 MET A 1 5.870 2.568 -0.153 1.00 33.22 H new ATOM 18 N THR A 2 4.073 -1.137 -1.985 1.00 70.54 N ATOM 19 CA THR A 2 5.382 -1.767 -2.102 1.00 71.55 C ATOM 20 C THR A 2 6.469 -0.732 -2.367 1.00 52.02 C ATOM 21 O THR A 2 6.326 0.124 -3.242 1.00 32.42 O ATOM 22 CB THR A 2 5.402 -2.816 -3.231 1.00 11.03 C ATOM 23 OG1 THR A 2 4.078 -3.309 -3.464 1.00 61.45 O ATOM 24 CG2 THR A 2 6.325 -3.973 -2.878 1.00 52.22 C ATOM 0 H THR A 2 3.665 -0.844 -2.873 1.00 70.54 H new ATOM 0 HA THR A 2 5.580 -2.263 -1.152 1.00 71.55 H new ATOM 0 HB THR A 2 5.776 -2.337 -4.136 1.00 11.03 H new ATOM 0 HG1 THR A 2 4.098 -3.974 -4.184 1.00 61.45 H new ATOM 0 HG21 THR A 2 6.323 -4.701 -3.689 1.00 52.22 H new ATOM 0 HG22 THR A 2 7.338 -3.598 -2.729 1.00 52.22 H new ATOM 0 HG23 THR A 2 5.976 -4.450 -1.962 1.00 52.22 H new ATOM 32 N LEU A 3 7.556 -0.815 -1.608 1.00 14.42 N ATOM 33 CA LEU A 3 8.669 0.116 -1.761 1.00 73.22 C ATOM 34 C LEU A 3 9.936 -0.617 -2.190 1.00 52.03 C ATOM 35 O LEU A 3 10.314 -1.625 -1.592 1.00 44.04 O ATOM 36 CB LEU A 3 8.918 0.864 -0.451 1.00 12.25 C ATOM 37 CG LEU A 3 8.969 2.389 -0.548 1.00 1.41 C ATOM 38 CD1 LEU A 3 8.038 2.886 -1.643 1.00 13.04 C ATOM 39 CD2 LEU A 3 8.609 3.021 0.789 1.00 50.53 C ATOM 0 H LEU A 3 7.691 -1.517 -0.881 1.00 14.42 H new ATOM 0 HA LEU A 3 8.406 0.834 -2.537 1.00 73.22 H new ATOM 0 HB2 LEU A 3 8.134 0.591 0.255 1.00 12.25 H new ATOM 0 HB3 LEU A 3 9.861 0.515 -0.030 1.00 12.25 H new ATOM 0 HG LEU A 3 9.987 2.684 -0.804 1.00 1.41 H new ATOM 0 HD11 LEU A 3 8.088 3.974 -1.697 1.00 13.04 H new ATOM 0 HD12 LEU A 3 8.342 2.461 -2.600 1.00 13.04 H new ATOM 0 HD13 LEU A 3 7.016 2.580 -1.418 1.00 13.04 H new ATOM 0 HD21 LEU A 3 8.651 4.107 0.701 1.00 50.53 H new ATOM 0 HD22 LEU A 3 7.602 2.718 1.075 1.00 50.53 H new ATOM 0 HD23 LEU A 3 9.317 2.691 1.550 1.00 50.53 H new ATOM 51 N CYS A 4 10.588 -0.103 -3.227 1.00 75.13 N ATOM 52 CA CYS A 4 11.814 -0.708 -3.736 1.00 13.12 C ATOM 53 C CYS A 4 12.967 0.290 -3.701 1.00 30.53 C ATOM 54 O CYS A 4 12.752 1.501 -3.673 1.00 64.10 O ATOM 55 CB CYS A 4 11.604 -1.213 -5.164 1.00 34.11 C ATOM 56 SG CYS A 4 10.176 -2.306 -5.358 1.00 10.31 S ATOM 0 H CYS A 4 10.288 0.731 -3.732 1.00 75.13 H new ATOM 0 HA CYS A 4 12.067 -1.552 -3.094 1.00 13.12 H new ATOM 0 HB2 CYS A 4 11.485 -0.356 -5.827 1.00 34.11 H new ATOM 0 HB3 CYS A 4 12.500 -1.743 -5.486 1.00 34.11 H new ATOM 0 HG CYS A 4 10.080 -2.679 -6.600 1.00 10.31 H new ATOM 62 N ALA A 5 14.191 -0.229 -3.700 1.00 52.35 N ATOM 63 CA ALA A 5 15.378 0.616 -3.669 1.00 41.20 C ATOM 64 C ALA A 5 16.459 0.079 -4.601 1.00 0.01 C ATOM 65 O ALA A 5 16.649 -1.132 -4.714 1.00 13.43 O ATOM 66 CB ALA A 5 15.910 0.726 -2.248 1.00 24.31 C ATOM 0 H ALA A 5 14.386 -1.230 -3.720 1.00 52.35 H new ATOM 0 HA ALA A 5 15.096 1.609 -4.018 1.00 41.20 H new ATOM 0 HB1 ALA A 5 16.797 1.360 -2.239 1.00 24.31 H new ATOM 0 HB2 ALA A 5 15.145 1.163 -1.606 1.00 24.31 H new ATOM 0 HB3 ALA A 5 16.170 -0.266 -1.879 1.00 24.31 H new ATOM 72 N MET A 6 17.164 0.987 -5.267 1.00 42.32 N ATOM 73 CA MET A 6 18.227 0.603 -6.189 1.00 52.44 C ATOM 74 C MET A 6 19.580 1.113 -5.702 1.00 74.42 C ATOM 75 O MET A 6 19.762 2.311 -5.487 1.00 15.14 O ATOM 76 CB MET A 6 17.938 1.148 -7.589 1.00 53.24 C ATOM 77 CG MET A 6 19.014 0.809 -8.608 1.00 3.34 C ATOM 78 SD MET A 6 18.923 1.840 -10.085 1.00 34.45 S ATOM 79 CE MET A 6 17.870 0.837 -11.132 1.00 4.43 C ATOM 0 H MET A 6 17.019 1.993 -5.186 1.00 42.32 H new ATOM 0 HA MET A 6 18.262 -0.486 -6.230 1.00 52.44 H new ATOM 0 HB2 MET A 6 16.984 0.750 -7.935 1.00 53.24 H new ATOM 0 HB3 MET A 6 17.831 2.231 -7.533 1.00 53.24 H new ATOM 0 HG2 MET A 6 19.995 0.927 -8.147 1.00 3.34 H new ATOM 0 HG3 MET A 6 18.920 -0.238 -8.895 1.00 3.34 H new ATOM 0 HE1 MET A 6 17.862 1.249 -12.141 1.00 4.43 H new ATOM 0 HE2 MET A 6 18.251 -0.184 -11.160 1.00 4.43 H new ATOM 0 HE3 MET A 6 16.856 0.835 -10.733 1.00 4.43 H new ATOM 89 N TYR A 7 20.525 0.195 -5.531 1.00 11.45 N ATOM 90 CA TYR A 7 21.860 0.552 -5.066 1.00 63.31 C ATOM 91 C TYR A 7 22.922 0.107 -6.067 1.00 41.24 C ATOM 92 O TYR A 7 22.786 -0.931 -6.713 1.00 51.13 O ATOM 93 CB TYR A 7 22.134 -0.081 -3.701 1.00 21.42 C ATOM 94 CG TYR A 7 22.269 -1.587 -3.747 1.00 52.45 C ATOM 95 CD1 TYR A 7 21.155 -2.399 -3.923 1.00 2.40 C ATOM 96 CD2 TYR A 7 23.510 -2.197 -3.617 1.00 4.20 C ATOM 97 CE1 TYR A 7 21.274 -3.774 -3.965 1.00 72.34 C ATOM 98 CE2 TYR A 7 23.639 -3.572 -3.660 1.00 14.34 C ATOM 99 CZ TYR A 7 22.517 -4.356 -3.834 1.00 25.05 C ATOM 100 OH TYR A 7 22.640 -5.726 -3.877 1.00 11.03 O ATOM 0 H TYR A 7 20.391 -0.801 -5.707 1.00 11.45 H new ATOM 0 HA TYR A 7 21.906 1.637 -4.972 1.00 63.31 H new ATOM 0 HB2 TYR A 7 23.049 0.345 -3.290 1.00 21.42 H new ATOM 0 HB3 TYR A 7 21.325 0.182 -3.019 1.00 21.42 H new ATOM 0 HD1 TYR A 7 20.180 -1.947 -4.029 1.00 2.40 H new ATOM 0 HD2 TYR A 7 24.390 -1.586 -3.480 1.00 4.20 H new ATOM 0 HE1 TYR A 7 20.398 -4.391 -4.100 1.00 72.34 H new ATOM 0 HE2 TYR A 7 24.612 -4.030 -3.558 1.00 14.34 H new ATOM 0 HH TYR A 7 23.517 -5.964 -4.244 1.00 11.03 H new ATOM 110 N ASN A 8 23.980 0.902 -6.190 1.00 24.14 N ATOM 111 CA ASN A 8 25.067 0.592 -7.112 1.00 32.42 C ATOM 112 C ASN A 8 26.376 0.379 -6.358 1.00 21.20 C ATOM 113 O ASN A 8 26.712 1.140 -5.450 1.00 70.11 O ATOM 114 CB ASN A 8 25.232 1.717 -8.135 1.00 73.34 C ATOM 115 CG ASN A 8 26.052 2.873 -7.597 1.00 25.41 C ATOM 116 OD1 ASN A 8 25.507 3.846 -7.077 1.00 44.53 O ATOM 117 ND2 ASN A 8 27.371 2.770 -7.719 1.00 72.55 N ATOM 0 H ASN A 8 24.108 1.766 -5.663 1.00 24.14 H new ATOM 0 HA ASN A 8 24.815 -0.331 -7.634 1.00 32.42 H new ATOM 0 HB2 ASN A 8 25.711 1.322 -9.031 1.00 73.34 H new ATOM 0 HB3 ASN A 8 24.248 2.081 -8.433 1.00 73.34 H new ATOM 0 HD21 ASN A 8 27.975 3.516 -7.374 1.00 72.55 H new ATOM 0 HD22 ASN A 8 27.780 1.945 -8.157 1.00 72.55 H new ATOM 124 N ILE A 9 27.111 -0.660 -6.741 1.00 52.11 N ATOM 125 CA ILE A 9 28.384 -0.971 -6.103 1.00 33.41 C ATOM 126 C ILE A 9 29.542 -0.815 -7.082 1.00 4.33 C ATOM 127 O ILE A 9 29.505 -1.342 -8.193 1.00 62.32 O ATOM 128 CB ILE A 9 28.394 -2.404 -5.538 1.00 2.05 C ATOM 129 CG1 ILE A 9 27.632 -3.349 -6.469 1.00 43.11 C ATOM 130 CG2 ILE A 9 27.790 -2.427 -4.141 1.00 42.14 C ATOM 131 CD1 ILE A 9 27.502 -4.755 -5.928 1.00 75.40 C ATOM 0 H ILE A 9 26.847 -1.300 -7.490 1.00 52.11 H new ATOM 0 HA ILE A 9 28.507 -0.264 -5.283 1.00 33.41 H new ATOM 0 HB ILE A 9 29.427 -2.745 -5.472 1.00 2.05 H new ATOM 0 HG12 ILE A 9 26.636 -2.944 -6.649 1.00 43.11 H new ATOM 0 HG13 ILE A 9 28.140 -3.385 -7.433 1.00 43.11 H new ATOM 0 HG21 ILE A 9 27.804 -3.446 -3.755 1.00 42.14 H new ATOM 0 HG22 ILE A 9 28.371 -1.782 -3.483 1.00 42.14 H new ATOM 0 HG23 ILE A 9 26.761 -2.069 -4.183 1.00 42.14 H new ATOM 0 HD11 ILE A 9 26.951 -5.369 -6.640 1.00 75.40 H new ATOM 0 HD12 ILE A 9 28.494 -5.179 -5.775 1.00 75.40 H new ATOM 0 HD13 ILE A 9 26.967 -4.732 -4.979 1.00 75.40 H new ATOM 143 N SER A 10 30.572 -0.087 -6.660 1.00 72.11 N ATOM 144 CA SER A 10 31.742 0.141 -7.500 1.00 54.12 C ATOM 145 C SER A 10 32.973 -0.541 -6.913 1.00 65.20 C ATOM 146 O SER A 10 33.343 -0.298 -5.765 1.00 12.14 O ATOM 147 CB SER A 10 32.000 1.641 -7.654 1.00 43.14 C ATOM 148 OG SER A 10 32.746 1.912 -8.828 1.00 61.15 O ATOM 0 H SER A 10 30.620 0.355 -5.742 1.00 72.11 H new ATOM 0 HA SER A 10 31.544 -0.289 -8.482 1.00 54.12 H new ATOM 0 HB2 SER A 10 31.050 2.175 -7.692 1.00 43.14 H new ATOM 0 HB3 SER A 10 32.540 2.012 -6.783 1.00 43.14 H new ATOM 0 HG SER A 10 33.697 1.980 -8.603 1.00 61.15 H new ATOM 154 N MET A 11 33.605 -1.397 -7.710 1.00 53.24 N ATOM 155 CA MET A 11 34.796 -2.114 -7.271 1.00 31.12 C ATOM 156 C MET A 11 36.054 -1.296 -7.543 1.00 23.02 C ATOM 157 O MET A 11 37.160 -1.706 -7.191 1.00 1.31 O ATOM 158 CB MET A 11 34.891 -3.468 -7.976 1.00 63.24 C ATOM 159 CG MET A 11 35.121 -3.358 -9.475 1.00 3.30 C ATOM 160 SD MET A 11 33.612 -3.608 -10.430 1.00 3.04 S ATOM 161 CE MET A 11 34.097 -2.927 -12.014 1.00 11.44 C ATOM 0 H MET A 11 33.312 -1.611 -8.663 1.00 53.24 H new ATOM 0 HA MET A 11 34.716 -2.277 -6.196 1.00 31.12 H new ATOM 0 HB2 MET A 11 35.704 -4.043 -7.533 1.00 63.24 H new ATOM 0 HB3 MET A 11 33.972 -4.027 -7.798 1.00 63.24 H new ATOM 0 HG2 MET A 11 35.533 -2.375 -9.704 1.00 3.30 H new ATOM 0 HG3 MET A 11 35.865 -4.094 -9.779 1.00 3.30 H new ATOM 0 HE1 MET A 11 33.266 -3.009 -12.715 1.00 11.44 H new ATOM 0 HE2 MET A 11 34.367 -1.878 -11.892 1.00 11.44 H new ATOM 0 HE3 MET A 11 34.954 -3.479 -12.400 1.00 11.44 H new ATOM 171 N ALA A 12 35.878 -0.138 -8.171 1.00 71.42 N ATOM 172 CA ALA A 12 36.999 0.737 -8.488 1.00 42.34 C ATOM 173 C ALA A 12 36.530 1.984 -9.231 1.00 75.51 C ATOM 174 O ALA A 12 35.340 2.296 -9.249 1.00 32.01 O ATOM 175 CB ALA A 12 38.037 -0.011 -9.312 1.00 75.04 C ATOM 0 H ALA A 12 34.969 0.216 -8.470 1.00 71.42 H new ATOM 0 HA ALA A 12 37.455 1.054 -7.550 1.00 42.34 H new ATOM 0 HB1 ALA A 12 38.869 0.655 -9.541 1.00 75.04 H new ATOM 0 HB2 ALA A 12 38.403 -0.867 -8.745 1.00 75.04 H new ATOM 0 HB3 ALA A 12 37.583 -0.358 -10.240 1.00 75.04 H new ATOM 181 N GLY A 13 37.473 2.693 -9.843 1.00 71.14 N ATOM 182 CA GLY A 13 37.135 3.898 -10.579 1.00 23.25 C ATOM 183 C GLY A 13 36.682 3.605 -11.995 1.00 20.20 C ATOM 184 O GLY A 13 37.087 4.286 -12.937 1.00 13.11 O ATOM 0 H GLY A 13 38.465 2.455 -9.843 1.00 71.14 H new ATOM 0 HA2 GLY A 13 36.345 4.433 -10.051 1.00 23.25 H new ATOM 0 HA3 GLY A 13 38.002 4.558 -10.608 1.00 23.25 H new ATOM 188 N SER A 14 35.841 2.587 -12.147 1.00 14.01 N ATOM 189 CA SER A 14 35.336 2.202 -13.460 1.00 22.43 C ATOM 190 C SER A 14 33.828 1.978 -13.418 1.00 33.23 C ATOM 191 O SER A 14 33.250 1.760 -12.352 1.00 61.42 O ATOM 192 CB SER A 14 36.038 0.933 -13.947 1.00 22.53 C ATOM 193 OG SER A 14 37.424 1.159 -14.141 1.00 34.40 O ATOM 0 H SER A 14 35.495 2.014 -11.377 1.00 14.01 H new ATOM 0 HA SER A 14 35.546 3.015 -14.155 1.00 22.43 H new ATOM 0 HB2 SER A 14 35.895 0.133 -13.221 1.00 22.53 H new ATOM 0 HB3 SER A 14 35.586 0.600 -14.881 1.00 22.53 H new ATOM 0 HG SER A 14 37.850 0.333 -14.451 1.00 34.40 H new ATOM 199 N HIS A 15 33.195 2.034 -14.585 1.00 72.44 N ATOM 200 CA HIS A 15 31.753 1.837 -14.684 1.00 31.54 C ATOM 201 C HIS A 15 31.266 0.851 -13.625 1.00 51.15 C ATOM 202 O HIS A 15 31.450 -0.361 -13.739 1.00 41.14 O ATOM 203 CB HIS A 15 31.380 1.332 -16.078 1.00 33.43 C ATOM 204 CG HIS A 15 31.319 2.415 -17.110 1.00 75.55 C ATOM 205 ND1 HIS A 15 30.536 3.541 -16.974 1.00 14.41 N ATOM 206 CD2 HIS A 15 31.950 2.539 -18.301 1.00 43.11 C ATOM 207 CE1 HIS A 15 30.687 4.311 -18.037 1.00 0.44 C ATOM 208 NE2 HIS A 15 31.541 3.726 -18.857 1.00 52.10 N ATOM 0 H HIS A 15 33.658 2.214 -15.476 1.00 72.44 H new ATOM 0 HA HIS A 15 31.267 2.797 -14.512 1.00 31.54 H new ATOM 0 HB2 HIS A 15 32.108 0.583 -16.391 1.00 33.43 H new ATOM 0 HB3 HIS A 15 30.412 0.834 -16.028 1.00 33.43 H new ATOM 0 HD2 HIS A 15 32.646 1.835 -18.734 1.00 43.11 H new ATOM 0 HE1 HIS A 15 30.196 5.258 -18.206 1.00 0.44 H new ATOM 0 HE2 HIS A 15 31.847 4.096 -19.757 1.00 52.10 H new ATOM 216 N PRO A 16 30.630 1.381 -12.570 1.00 51.43 N ATOM 217 CA PRO A 16 30.104 0.566 -11.471 1.00 52.14 C ATOM 218 C PRO A 16 28.904 -0.274 -11.896 1.00 25.41 C ATOM 219 O PRO A 16 28.479 -0.230 -13.051 1.00 13.23 O ATOM 220 CB PRO A 16 29.686 1.605 -10.427 1.00 62.25 C ATOM 221 CG PRO A 16 29.415 2.842 -11.212 1.00 1.13 C ATOM 222 CD PRO A 16 30.375 2.818 -12.369 1.00 30.41 C ATOM 0 HA PRO A 16 30.840 -0.152 -11.107 1.00 52.14 H new ATOM 0 HB2 PRO A 16 28.801 1.282 -9.879 1.00 62.25 H new ATOM 0 HB3 PRO A 16 30.474 1.767 -9.692 1.00 62.25 H new ATOM 0 HG2 PRO A 16 28.383 2.864 -11.562 1.00 1.13 H new ATOM 0 HG3 PRO A 16 29.563 3.732 -10.601 1.00 1.13 H new ATOM 0 HD2 PRO A 16 29.944 3.278 -13.258 1.00 30.41 H new ATOM 0 HD3 PRO A 16 31.292 3.361 -12.142 1.00 30.41 H new ATOM 230 N THR A 17 28.362 -1.041 -10.955 1.00 30.10 N ATOM 231 CA THR A 17 27.212 -1.892 -11.232 1.00 31.52 C ATOM 232 C THR A 17 25.989 -1.439 -10.442 1.00 65.10 C ATOM 233 O THR A 17 26.060 -1.238 -9.229 1.00 51.00 O ATOM 234 CB THR A 17 27.509 -3.366 -10.895 1.00 4.35 C ATOM 235 OG1 THR A 17 28.769 -3.752 -11.456 1.00 0.05 O ATOM 236 CG2 THR A 17 26.412 -4.275 -11.426 1.00 53.11 C ATOM 0 H THR A 17 28.701 -1.090 -9.994 1.00 30.10 H new ATOM 0 HA THR A 17 27.005 -1.805 -12.299 1.00 31.52 H new ATOM 0 HB THR A 17 27.548 -3.467 -9.810 1.00 4.35 H new ATOM 0 HG1 THR A 17 28.952 -4.689 -11.236 1.00 0.05 H new ATOM 0 HG21 THR A 17 26.644 -5.310 -11.176 1.00 53.11 H new ATOM 0 HG22 THR A 17 25.459 -3.998 -10.975 1.00 53.11 H new ATOM 0 HG23 THR A 17 26.345 -4.170 -12.509 1.00 53.11 H new ATOM 244 N THR A 18 24.867 -1.280 -11.137 1.00 2.02 N ATOM 245 CA THR A 18 23.629 -0.850 -10.500 1.00 53.24 C ATOM 246 C THR A 18 22.657 -2.014 -10.345 1.00 60.14 C ATOM 247 O THR A 18 22.564 -2.877 -11.218 1.00 61.54 O ATOM 248 CB THR A 18 22.944 0.272 -11.304 1.00 61.22 C ATOM 249 OG1 THR A 18 23.893 0.901 -12.173 1.00 12.12 O ATOM 250 CG2 THR A 18 22.334 1.310 -10.374 1.00 24.51 C ATOM 0 H THR A 18 24.791 -1.443 -12.141 1.00 2.02 H new ATOM 0 HA THR A 18 23.896 -0.470 -9.514 1.00 53.24 H new ATOM 0 HB THR A 18 22.146 -0.172 -11.899 1.00 61.22 H new ATOM 0 HG1 THR A 18 23.450 1.612 -12.682 1.00 12.12 H new ATOM 0 HG21 THR A 18 21.856 2.092 -10.965 1.00 24.51 H new ATOM 0 HG22 THR A 18 21.591 0.834 -9.734 1.00 24.51 H new ATOM 0 HG23 THR A 18 23.117 1.750 -9.756 1.00 24.51 H new ATOM 258 N ILE A 19 21.935 -2.031 -9.230 1.00 72.32 N ATOM 259 CA ILE A 19 20.969 -3.089 -8.963 1.00 34.42 C ATOM 260 C ILE A 19 19.721 -2.536 -8.283 1.00 1.33 C ATOM 261 O ILE A 19 19.811 -1.692 -7.390 1.00 41.22 O ATOM 262 CB ILE A 19 21.574 -4.194 -8.077 1.00 65.55 C ATOM 263 CG1 ILE A 19 22.002 -5.388 -8.934 1.00 50.35 C ATOM 264 CG2 ILE A 19 20.576 -4.629 -7.015 1.00 71.11 C ATOM 265 CD1 ILE A 19 22.332 -6.624 -8.128 1.00 0.25 C ATOM 0 H ILE A 19 22.001 -1.324 -8.497 1.00 72.32 H new ATOM 0 HA ILE A 19 20.696 -3.516 -9.928 1.00 34.42 H new ATOM 0 HB ILE A 19 22.456 -3.794 -7.576 1.00 65.55 H new ATOM 0 HG12 ILE A 19 21.203 -5.625 -9.637 1.00 50.35 H new ATOM 0 HG13 ILE A 19 22.873 -5.107 -9.525 1.00 50.35 H new ATOM 0 HG21 ILE A 19 21.019 -5.410 -6.397 1.00 71.11 H new ATOM 0 HG22 ILE A 19 20.316 -3.776 -6.389 1.00 71.11 H new ATOM 0 HG23 ILE A 19 19.677 -5.013 -7.496 1.00 71.11 H new ATOM 0 HD11 ILE A 19 22.627 -7.429 -8.801 1.00 0.25 H new ATOM 0 HD12 ILE A 19 23.152 -6.404 -7.444 1.00 0.25 H new ATOM 0 HD13 ILE A 19 21.456 -6.931 -7.557 1.00 0.25 H new ATOM 277 N CYS A 20 18.559 -3.017 -8.709 1.00 52.01 N ATOM 278 CA CYS A 20 17.292 -2.571 -8.141 1.00 13.05 C ATOM 279 C CYS A 20 16.522 -3.744 -7.542 1.00 54.42 C ATOM 280 O CYS A 20 16.144 -4.678 -8.249 1.00 64.04 O ATOM 281 CB CYS A 20 16.444 -1.881 -9.210 1.00 11.31 C ATOM 282 SG CYS A 20 14.784 -1.425 -8.656 1.00 3.14 S ATOM 0 H CYS A 20 18.468 -3.716 -9.446 1.00 52.01 H new ATOM 0 HA CYS A 20 17.510 -1.858 -7.345 1.00 13.05 H new ATOM 0 HB2 CYS A 20 16.963 -0.983 -9.546 1.00 11.31 H new ATOM 0 HB3 CYS A 20 16.359 -2.542 -10.073 1.00 11.31 H new ATOM 0 HG CYS A 20 14.145 -0.846 -9.629 1.00 3.14 H new ATOM 288 N VAL A 21 16.293 -3.689 -6.234 1.00 14.31 N ATOM 289 CA VAL A 21 15.568 -4.746 -5.540 1.00 31.35 C ATOM 290 C VAL A 21 14.632 -4.169 -4.484 1.00 35.31 C ATOM 291 O VAL A 21 14.915 -3.129 -3.889 1.00 32.42 O ATOM 292 CB VAL A 21 16.534 -5.739 -4.866 1.00 35.32 C ATOM 293 CG1 VAL A 21 17.290 -6.542 -5.913 1.00 23.32 C ATOM 294 CG2 VAL A 21 17.497 -5.004 -3.946 1.00 62.25 C ATOM 0 H VAL A 21 16.599 -2.923 -5.634 1.00 14.31 H new ATOM 0 HA VAL A 21 14.981 -5.274 -6.292 1.00 31.35 H new ATOM 0 HB VAL A 21 15.951 -6.434 -4.262 1.00 35.32 H new ATOM 0 HG11 VAL A 21 17.968 -7.238 -5.418 1.00 23.32 H new ATOM 0 HG12 VAL A 21 16.581 -7.099 -6.526 1.00 23.32 H new ATOM 0 HG13 VAL A 21 17.864 -5.865 -6.546 1.00 23.32 H new ATOM 0 HG21 VAL A 21 18.172 -5.721 -3.478 1.00 62.25 H new ATOM 0 HG22 VAL A 21 18.076 -4.285 -4.525 1.00 62.25 H new ATOM 0 HG23 VAL A 21 16.934 -4.479 -3.174 1.00 62.25 H new ATOM 304 N VAL A 22 13.514 -4.852 -4.256 1.00 12.44 N ATOM 305 CA VAL A 22 12.535 -4.408 -3.270 1.00 62.10 C ATOM 306 C VAL A 22 13.106 -4.480 -1.858 1.00 53.11 C ATOM 307 O VAL A 22 14.013 -5.265 -1.584 1.00 1.32 O ATOM 308 CB VAL A 22 11.249 -5.254 -3.336 1.00 4.40 C ATOM 309 CG1 VAL A 22 11.515 -6.669 -2.846 1.00 42.04 C ATOM 310 CG2 VAL A 22 10.140 -4.600 -2.526 1.00 2.22 C ATOM 0 H VAL A 22 13.264 -5.714 -4.740 1.00 12.44 H new ATOM 0 HA VAL A 22 12.292 -3.372 -3.508 1.00 62.10 H new ATOM 0 HB VAL A 22 10.924 -5.310 -4.375 1.00 4.40 H new ATOM 0 HG11 VAL A 22 10.595 -7.252 -2.900 1.00 42.04 H new ATOM 0 HG12 VAL A 22 12.276 -7.134 -3.472 1.00 42.04 H new ATOM 0 HG13 VAL A 22 11.864 -6.637 -1.814 1.00 42.04 H new ATOM 0 HG21 VAL A 22 9.239 -5.211 -2.583 1.00 2.22 H new ATOM 0 HG22 VAL A 22 10.453 -4.512 -1.486 1.00 2.22 H new ATOM 0 HG23 VAL A 22 9.932 -3.608 -2.928 1.00 2.22 H new ATOM 320 N MET A 23 12.567 -3.656 -0.966 1.00 1.25 N ATOM 321 CA MET A 23 13.022 -3.627 0.420 1.00 72.22 C ATOM 322 C MET A 23 12.976 -5.022 1.036 1.00 42.02 C ATOM 323 O MET A 23 13.858 -5.399 1.808 1.00 14.33 O ATOM 324 CB MET A 23 12.162 -2.666 1.242 1.00 55.43 C ATOM 325 CG MET A 23 10.686 -3.032 1.257 1.00 3.14 C ATOM 326 SD MET A 23 10.206 -3.916 2.753 1.00 22.45 S ATOM 327 CE MET A 23 9.875 -2.550 3.863 1.00 3.02 C ATOM 0 H MET A 23 11.815 -3.000 -1.177 1.00 1.25 H new ATOM 0 HA MET A 23 14.055 -3.278 0.430 1.00 72.22 H new ATOM 0 HB2 MET A 23 12.533 -2.645 2.267 1.00 55.43 H new ATOM 0 HB3 MET A 23 12.274 -1.658 0.842 1.00 55.43 H new ATOM 0 HG2 MET A 23 10.089 -2.124 1.169 1.00 3.14 H new ATOM 0 HG3 MET A 23 10.459 -3.648 0.387 1.00 3.14 H new ATOM 0 HE1 MET A 23 10.088 -2.854 4.888 1.00 3.02 H new ATOM 0 HE2 MET A 23 10.507 -1.703 3.596 1.00 3.02 H new ATOM 0 HE3 MET A 23 8.827 -2.260 3.781 1.00 3.02 H new ATOM 337 N ASP A 24 11.944 -5.783 0.689 1.00 21.24 N ATOM 338 CA ASP A 24 11.784 -7.137 1.208 1.00 43.20 C ATOM 339 C ASP A 24 12.991 -8.000 0.855 1.00 65.12 C ATOM 340 O ASP A 24 13.430 -8.828 1.654 1.00 41.24 O ATOM 341 CB ASP A 24 10.508 -7.771 0.653 1.00 61.21 C ATOM 342 CG ASP A 24 9.991 -8.894 1.530 1.00 32.13 C ATOM 343 OD1 ASP A 24 10.493 -9.040 2.664 1.00 11.22 O ATOM 344 OD2 ASP A 24 9.084 -9.628 1.083 1.00 44.32 O ATOM 0 H ASP A 24 11.206 -5.486 0.051 1.00 21.24 H new ATOM 0 HA ASP A 24 11.708 -7.077 2.294 1.00 43.20 H new ATOM 0 HB2 ASP A 24 9.738 -7.006 0.556 1.00 61.21 H new ATOM 0 HB3 ASP A 24 10.703 -8.156 -0.348 1.00 61.21 H new ATOM 349 N ARG A 25 13.523 -7.802 -0.347 1.00 50.31 N ATOM 350 CA ARG A 25 14.678 -8.564 -0.807 1.00 12.41 C ATOM 351 C ARG A 25 15.964 -7.763 -0.626 1.00 42.04 C ATOM 352 O ARG A 25 17.065 -8.308 -0.714 1.00 74.23 O ATOM 353 CB ARG A 25 14.508 -8.951 -2.277 1.00 55.10 C ATOM 354 CG ARG A 25 13.367 -9.925 -2.522 1.00 21.41 C ATOM 355 CD ARG A 25 13.370 -10.438 -3.954 1.00 21.04 C ATOM 356 NE ARG A 25 12.319 -11.425 -4.184 1.00 34.02 N ATOM 357 CZ ARG A 25 12.028 -11.924 -5.380 1.00 63.11 C ATOM 358 NH1 ARG A 25 12.707 -11.531 -6.449 1.00 4.22 N ATOM 359 NH2 ARG A 25 11.057 -12.819 -5.509 1.00 62.11 N ATOM 0 H ARG A 25 13.172 -7.120 -1.020 1.00 50.31 H new ATOM 0 HA ARG A 25 14.747 -9.471 -0.206 1.00 12.41 H new ATOM 0 HB2 ARG A 25 14.337 -8.049 -2.864 1.00 55.10 H new ATOM 0 HB3 ARG A 25 15.436 -9.394 -2.637 1.00 55.10 H new ATOM 0 HG2 ARG A 25 13.450 -10.766 -1.833 1.00 21.41 H new ATOM 0 HG3 ARG A 25 12.417 -9.434 -2.312 1.00 21.41 H new ATOM 0 HD2 ARG A 25 13.237 -9.601 -4.639 1.00 21.04 H new ATOM 0 HD3 ARG A 25 14.340 -10.882 -4.178 1.00 21.04 H new ATOM 0 HE ARG A 25 11.778 -11.749 -3.382 1.00 34.02 H new ATOM 0 HH11 ARG A 25 13.455 -10.844 -6.354 1.00 4.22 H new ATOM 0 HH12 ARG A 25 12.481 -11.916 -7.366 1.00 4.22 H new ATOM 0 HH21 ARG A 25 10.533 -13.125 -4.689 1.00 62.11 H new ATOM 0 HH22 ARG A 25 10.835 -13.201 -6.428 1.00 62.11 H new ATOM 373 N PHE A 26 15.818 -6.466 -0.374 1.00 73.53 N ATOM 374 CA PHE A 26 16.967 -5.590 -0.183 1.00 24.10 C ATOM 375 C PHE A 26 17.773 -6.009 1.043 1.00 32.44 C ATOM 376 O PHE A 26 19.003 -6.065 1.004 1.00 53.54 O ATOM 377 CB PHE A 26 16.509 -4.138 -0.034 1.00 43.22 C ATOM 378 CG PHE A 26 17.640 -3.170 0.167 1.00 64.14 C ATOM 379 CD1 PHE A 26 18.773 -3.234 -0.628 1.00 44.35 C ATOM 380 CD2 PHE A 26 17.570 -2.197 1.150 1.00 44.51 C ATOM 381 CE1 PHE A 26 19.816 -2.345 -0.445 1.00 52.12 C ATOM 382 CE2 PHE A 26 18.610 -1.305 1.338 1.00 55.44 C ATOM 383 CZ PHE A 26 19.733 -1.378 0.538 1.00 23.51 C ATOM 0 H PHE A 26 14.915 -5.999 -0.297 1.00 73.53 H new ATOM 0 HA PHE A 26 17.606 -5.674 -1.062 1.00 24.10 H new ATOM 0 HB2 PHE A 26 15.948 -3.849 -0.923 1.00 43.22 H new ATOM 0 HB3 PHE A 26 15.825 -4.066 0.812 1.00 43.22 H new ATOM 0 HD1 PHE A 26 18.842 -3.987 -1.399 1.00 44.35 H new ATOM 0 HD2 PHE A 26 16.693 -2.134 1.777 1.00 44.51 H new ATOM 0 HE1 PHE A 26 20.695 -2.407 -1.070 1.00 52.12 H new ATOM 0 HE2 PHE A 26 18.544 -0.552 2.110 1.00 55.44 H new ATOM 0 HZ PHE A 26 20.545 -0.680 0.681 1.00 23.51 H new ATOM 393 N LEU A 27 17.071 -6.304 2.132 1.00 11.52 N ATOM 394 CA LEU A 27 17.719 -6.718 3.372 1.00 42.43 C ATOM 395 C LEU A 27 18.577 -7.959 3.149 1.00 2.01 C ATOM 396 O LEU A 27 19.736 -8.005 3.559 1.00 45.11 O ATOM 397 CB LEU A 27 16.671 -6.995 4.451 1.00 51.04 C ATOM 398 CG LEU A 27 15.533 -7.936 4.054 1.00 13.14 C ATOM 399 CD1 LEU A 27 15.788 -9.337 4.588 1.00 12.13 C ATOM 400 CD2 LEU A 27 14.200 -7.404 4.562 1.00 61.31 C ATOM 0 H LEU A 27 16.053 -6.264 2.181 1.00 11.52 H new ATOM 0 HA LEU A 27 18.366 -5.906 3.704 1.00 42.43 H new ATOM 0 HB2 LEU A 27 17.176 -7.415 5.321 1.00 51.04 H new ATOM 0 HB3 LEU A 27 16.238 -6.044 4.762 1.00 51.04 H new ATOM 0 HG LEU A 27 15.491 -7.986 2.966 1.00 13.14 H new ATOM 0 HD11 LEU A 27 14.968 -9.993 4.296 1.00 12.13 H new ATOM 0 HD12 LEU A 27 16.722 -9.719 4.176 1.00 12.13 H new ATOM 0 HD13 LEU A 27 15.857 -9.305 5.675 1.00 12.13 H new ATOM 0 HD21 LEU A 27 13.401 -8.086 4.271 1.00 61.31 H new ATOM 0 HD22 LEU A 27 14.230 -7.324 5.649 1.00 61.31 H new ATOM 0 HD23 LEU A 27 14.013 -6.421 4.131 1.00 61.31 H new ATOM 412 N GLU A 28 17.999 -8.962 2.496 1.00 63.14 N ATOM 413 CA GLU A 28 18.713 -10.203 2.218 1.00 74.25 C ATOM 414 C GLU A 28 19.814 -9.978 1.186 1.00 62.21 C ATOM 415 O GLU A 28 20.937 -10.457 1.347 1.00 50.44 O ATOM 416 CB GLU A 28 17.741 -11.275 1.717 1.00 3.53 C ATOM 417 CG GLU A 28 18.380 -12.642 1.544 1.00 22.21 C ATOM 418 CD GLU A 28 17.363 -13.767 1.560 1.00 65.25 C ATOM 419 OE1 GLU A 28 16.835 -14.103 0.479 1.00 61.21 O ATOM 420 OE2 GLU A 28 17.096 -14.311 2.651 1.00 20.02 O ATOM 0 H GLU A 28 17.040 -8.940 2.150 1.00 63.14 H new ATOM 0 HA GLU A 28 19.173 -10.543 3.146 1.00 74.25 H new ATOM 0 HB2 GLU A 28 16.911 -11.357 2.419 1.00 3.53 H new ATOM 0 HB3 GLU A 28 17.321 -10.956 0.763 1.00 3.53 H new ATOM 0 HG2 GLU A 28 18.928 -12.666 0.602 1.00 22.21 H new ATOM 0 HG3 GLU A 28 19.107 -12.803 2.340 1.00 22.21 H new ATOM 427 N SER A 29 19.484 -9.247 0.126 1.00 20.20 N ATOM 428 CA SER A 29 20.443 -8.962 -0.935 1.00 1.13 C ATOM 429 C SER A 29 21.676 -8.256 -0.377 1.00 75.03 C ATOM 430 O SER A 29 22.803 -8.537 -0.784 1.00 21.11 O ATOM 431 CB SER A 29 19.794 -8.100 -2.019 1.00 45.33 C ATOM 432 OG SER A 29 19.707 -6.746 -1.610 1.00 42.22 O ATOM 0 H SER A 29 18.560 -8.841 -0.021 1.00 20.20 H new ATOM 0 HA SER A 29 20.756 -9.910 -1.373 1.00 1.13 H new ATOM 0 HB2 SER A 29 20.375 -8.169 -2.939 1.00 45.33 H new ATOM 0 HB3 SER A 29 18.797 -8.480 -2.242 1.00 45.33 H new ATOM 0 HG SER A 29 19.401 -6.704 -0.680 1.00 42.22 H new ATOM 438 N PHE A 30 21.452 -7.337 0.556 1.00 33.45 N ATOM 439 CA PHE A 30 22.543 -6.589 1.170 1.00 32.41 C ATOM 440 C PHE A 30 23.412 -7.502 2.030 1.00 34.35 C ATOM 441 O PHE A 30 24.640 -7.453 1.962 1.00 33.32 O ATOM 442 CB PHE A 30 21.989 -5.444 2.020 1.00 3.11 C ATOM 443 CG PHE A 30 22.533 -5.419 3.420 1.00 61.10 C ATOM 444 CD1 PHE A 30 23.842 -5.033 3.662 1.00 34.53 C ATOM 445 CD2 PHE A 30 21.736 -5.782 4.493 1.00 32.15 C ATOM 446 CE1 PHE A 30 24.345 -5.009 4.949 1.00 21.24 C ATOM 447 CE2 PHE A 30 22.234 -5.759 5.783 1.00 74.44 C ATOM 448 CZ PHE A 30 23.540 -5.374 6.011 1.00 41.33 C ATOM 0 H PHE A 30 20.525 -7.092 0.904 1.00 33.45 H new ATOM 0 HA PHE A 30 23.160 -6.175 0.373 1.00 32.41 H new ATOM 0 HB2 PHE A 30 22.218 -4.496 1.533 1.00 3.11 H new ATOM 0 HB3 PHE A 30 20.903 -5.526 2.062 1.00 3.11 H new ATOM 0 HD1 PHE A 30 24.476 -4.748 2.836 1.00 34.53 H new ATOM 0 HD2 PHE A 30 20.714 -6.086 4.320 1.00 32.15 H new ATOM 0 HE1 PHE A 30 25.366 -4.705 5.124 1.00 21.24 H new ATOM 0 HE2 PHE A 30 21.602 -6.042 6.611 1.00 74.44 H new ATOM 0 HZ PHE A 30 23.932 -5.358 7.017 1.00 41.33 H new ATOM 458 N SER A 31 22.764 -8.334 2.840 1.00 24.23 N ATOM 459 CA SER A 31 23.477 -9.256 3.718 1.00 52.52 C ATOM 460 C SER A 31 24.425 -10.143 2.918 1.00 25.42 C ATOM 461 O SER A 31 25.585 -10.322 3.289 1.00 43.55 O ATOM 462 CB SER A 31 22.485 -10.121 4.497 1.00 73.32 C ATOM 463 OG SER A 31 23.139 -10.852 5.520 1.00 51.50 O ATOM 0 H SER A 31 21.748 -8.389 2.907 1.00 24.23 H new ATOM 0 HA SER A 31 24.065 -8.668 4.422 1.00 52.52 H new ATOM 0 HB2 SER A 31 21.712 -9.489 4.935 1.00 73.32 H new ATOM 0 HB3 SER A 31 21.986 -10.810 3.816 1.00 73.32 H new ATOM 0 HG SER A 31 22.483 -11.396 6.004 1.00 51.50 H new ATOM 469 N GLU A 32 23.922 -10.698 1.820 1.00 44.34 N ATOM 470 CA GLU A 32 24.725 -11.568 0.968 1.00 55.12 C ATOM 471 C GLU A 32 25.730 -10.757 0.155 1.00 75.25 C ATOM 472 O GLU A 32 26.886 -11.153 0.003 1.00 41.11 O ATOM 473 CB GLU A 32 23.823 -12.372 0.029 1.00 34.00 C ATOM 474 CG GLU A 32 24.508 -13.581 -0.586 1.00 33.15 C ATOM 475 CD GLU A 32 24.657 -14.728 0.395 1.00 5.22 C ATOM 476 OE1 GLU A 32 23.637 -15.371 0.717 1.00 31.20 O ATOM 477 OE2 GLU A 32 25.796 -14.982 0.841 1.00 44.35 O ATOM 0 H GLU A 32 22.963 -10.561 1.500 1.00 44.34 H new ATOM 0 HA GLU A 32 25.275 -12.256 1.610 1.00 55.12 H new ATOM 0 HB2 GLU A 32 22.944 -12.705 0.580 1.00 34.00 H new ATOM 0 HB3 GLU A 32 23.471 -11.719 -0.770 1.00 34.00 H new ATOM 0 HG2 GLU A 32 23.935 -13.918 -1.450 1.00 33.15 H new ATOM 0 HG3 GLU A 32 25.493 -13.290 -0.951 1.00 33.15 H new ATOM 484 N LEU A 33 25.280 -9.621 -0.367 1.00 21.10 N ATOM 485 CA LEU A 33 26.139 -8.753 -1.166 1.00 31.53 C ATOM 486 C LEU A 33 27.386 -8.353 -0.384 1.00 51.42 C ATOM 487 O LEU A 33 28.479 -8.261 -0.944 1.00 12.03 O ATOM 488 CB LEU A 33 25.372 -7.503 -1.600 1.00 74.41 C ATOM 489 CG LEU A 33 26.164 -6.478 -2.412 1.00 73.00 C ATOM 490 CD1 LEU A 33 26.931 -5.544 -1.489 1.00 61.12 C ATOM 491 CD2 LEU A 33 27.112 -7.178 -3.375 1.00 2.43 C ATOM 0 H LEU A 33 24.326 -9.279 -0.252 1.00 21.10 H new ATOM 0 HA LEU A 33 26.450 -9.306 -2.052 1.00 31.53 H new ATOM 0 HB2 LEU A 33 24.510 -7.816 -2.189 1.00 74.41 H new ATOM 0 HB3 LEU A 33 24.986 -7.010 -0.708 1.00 74.41 H new ATOM 0 HG LEU A 33 25.461 -5.883 -2.995 1.00 73.00 H new ATOM 0 HD11 LEU A 33 27.489 -4.821 -2.084 1.00 61.12 H new ATOM 0 HD12 LEU A 33 26.231 -5.017 -0.841 1.00 61.12 H new ATOM 0 HD13 LEU A 33 27.624 -6.123 -0.879 1.00 61.12 H new ATOM 0 HD21 LEU A 33 27.667 -6.433 -3.945 1.00 2.43 H new ATOM 0 HD22 LEU A 33 27.809 -7.799 -2.812 1.00 2.43 H new ATOM 0 HD23 LEU A 33 26.539 -7.804 -4.059 1.00 2.43 H new ATOM 503 N TYR A 34 27.215 -8.117 0.912 1.00 40.02 N ATOM 504 CA TYR A 34 28.327 -7.726 1.771 1.00 55.14 C ATOM 505 C TYR A 34 29.327 -8.868 1.920 1.00 2.34 C ATOM 506 O TYR A 34 30.529 -8.640 2.064 1.00 73.55 O ATOM 507 CB TYR A 34 27.811 -7.301 3.147 1.00 75.35 C ATOM 508 CG TYR A 34 28.904 -7.132 4.177 1.00 14.33 C ATOM 509 CD1 TYR A 34 29.559 -5.916 4.330 1.00 21.43 C ATOM 510 CD2 TYR A 34 29.280 -8.187 4.999 1.00 21.11 C ATOM 511 CE1 TYR A 34 30.559 -5.757 5.270 1.00 31.42 C ATOM 512 CE2 TYR A 34 30.278 -8.037 5.943 1.00 52.32 C ATOM 513 CZ TYR A 34 30.914 -6.820 6.074 1.00 25.22 C ATOM 514 OH TYR A 34 31.909 -6.665 7.013 1.00 71.43 O ATOM 0 H TYR A 34 26.317 -8.190 1.391 1.00 40.02 H new ATOM 0 HA TYR A 34 28.834 -6.882 1.305 1.00 55.14 H new ATOM 0 HB2 TYR A 34 27.268 -6.361 3.048 1.00 75.35 H new ATOM 0 HB3 TYR A 34 27.098 -8.044 3.504 1.00 75.35 H new ATOM 0 HD1 TYR A 34 29.282 -5.081 3.704 1.00 21.43 H new ATOM 0 HD2 TYR A 34 28.784 -9.141 4.898 1.00 21.11 H new ATOM 0 HE1 TYR A 34 31.060 -4.806 5.375 1.00 31.42 H new ATOM 0 HE2 TYR A 34 30.558 -8.867 6.574 1.00 52.32 H new ATOM 0 HH TYR A 34 32.036 -7.508 7.497 1.00 71.43 H new ATOM 524 N ASP A 35 28.822 -10.096 1.886 1.00 64.02 N ATOM 525 CA ASP A 35 29.671 -11.275 2.016 1.00 74.22 C ATOM 526 C ASP A 35 30.469 -11.514 0.738 1.00 40.30 C ATOM 527 O ASP A 35 31.566 -12.071 0.775 1.00 23.52 O ATOM 528 CB ASP A 35 28.823 -12.506 2.340 1.00 71.34 C ATOM 529 CG ASP A 35 29.182 -13.121 3.678 1.00 65.11 C ATOM 530 OD1 ASP A 35 28.905 -12.486 4.717 1.00 40.21 O ATOM 531 OD2 ASP A 35 29.741 -14.238 3.686 1.00 35.14 O ATOM 0 H ASP A 35 27.830 -10.301 1.770 1.00 64.02 H new ATOM 0 HA ASP A 35 30.371 -11.100 2.833 1.00 74.22 H new ATOM 0 HB2 ASP A 35 27.769 -12.227 2.343 1.00 71.34 H new ATOM 0 HB3 ASP A 35 28.954 -13.250 1.555 1.00 71.34 H new ATOM 536 N ILE A 36 29.911 -11.089 -0.390 1.00 53.04 N ATOM 537 CA ILE A 36 30.571 -11.257 -1.679 1.00 51.41 C ATOM 538 C ILE A 36 31.347 -10.003 -2.066 1.00 45.32 C ATOM 539 O ILE A 36 32.246 -10.052 -2.907 1.00 2.25 O ATOM 540 CB ILE A 36 29.558 -11.584 -2.792 1.00 51.42 C ATOM 541 CG1 ILE A 36 30.262 -11.649 -4.149 1.00 71.22 C ATOM 542 CG2 ILE A 36 28.445 -10.547 -2.816 1.00 53.15 C ATOM 543 CD1 ILE A 36 30.106 -10.390 -4.972 1.00 43.41 C ATOM 0 H ILE A 36 29.004 -10.626 -0.438 1.00 53.04 H new ATOM 0 HA ILE A 36 31.263 -12.092 -1.573 1.00 51.41 H new ATOM 0 HB ILE A 36 29.116 -12.559 -2.586 1.00 51.42 H new ATOM 0 HG12 ILE A 36 31.323 -11.840 -3.990 1.00 71.22 H new ATOM 0 HG13 ILE A 36 29.867 -12.494 -4.714 1.00 71.22 H new ATOM 0 HG21 ILE A 36 27.737 -10.792 -3.608 1.00 53.15 H new ATOM 0 HG22 ILE A 36 27.929 -10.545 -1.856 1.00 53.15 H new ATOM 0 HG23 ILE A 36 28.870 -9.561 -3.002 1.00 53.15 H new ATOM 0 HD11 ILE A 36 30.630 -10.508 -5.920 1.00 43.41 H new ATOM 0 HD12 ILE A 36 29.048 -10.209 -5.162 1.00 43.41 H new ATOM 0 HD13 ILE A 36 30.527 -9.545 -4.427 1.00 43.41 H new ATOM 555 N ILE A 37 30.996 -8.881 -1.447 1.00 31.03 N ATOM 556 CA ILE A 37 31.662 -7.615 -1.724 1.00 41.44 C ATOM 557 C ILE A 37 33.159 -7.709 -1.448 1.00 52.32 C ATOM 558 O ILE A 37 33.943 -6.895 -1.937 1.00 60.21 O ATOM 559 CB ILE A 37 31.067 -6.469 -0.884 1.00 23.53 C ATOM 560 CG1 ILE A 37 31.435 -5.115 -1.494 1.00 71.40 C ATOM 561 CG2 ILE A 37 31.556 -6.559 0.554 1.00 2.22 C ATOM 562 CD1 ILE A 37 30.700 -4.813 -2.781 1.00 65.55 C ATOM 0 H ILE A 37 30.254 -8.823 -0.750 1.00 31.03 H new ATOM 0 HA ILE A 37 31.503 -7.400 -2.781 1.00 41.44 H new ATOM 0 HB ILE A 37 29.981 -6.563 -0.885 1.00 23.53 H new ATOM 0 HG12 ILE A 37 31.221 -4.329 -0.770 1.00 71.40 H new ATOM 0 HG13 ILE A 37 32.508 -5.090 -1.683 1.00 71.40 H new ATOM 0 HG21 ILE A 37 31.127 -5.743 1.136 1.00 2.22 H new ATOM 0 HG22 ILE A 37 31.248 -7.512 0.984 1.00 2.22 H new ATOM 0 HG23 ILE A 37 32.643 -6.487 0.574 1.00 2.22 H new ATOM 0 HD11 ILE A 37 31.010 -3.838 -3.157 1.00 65.55 H new ATOM 0 HD12 ILE A 37 30.933 -5.578 -3.521 1.00 65.55 H new ATOM 0 HD13 ILE A 37 29.626 -4.805 -2.594 1.00 65.55 H new ATOM 574 N ASP A 38 33.548 -8.707 -0.663 1.00 63.12 N ATOM 575 CA ASP A 38 34.952 -8.910 -0.324 1.00 31.11 C ATOM 576 C ASP A 38 35.752 -9.333 -1.552 1.00 3.31 C ATOM 577 O ASP A 38 36.974 -9.192 -1.586 1.00 62.10 O ATOM 578 CB ASP A 38 35.086 -9.965 0.775 1.00 35.33 C ATOM 579 CG ASP A 38 36.471 -9.988 1.391 1.00 71.14 C ATOM 580 OD1 ASP A 38 37.369 -10.631 0.807 1.00 2.42 O ATOM 581 OD2 ASP A 38 36.657 -9.363 2.455 1.00 1.32 O ATOM 0 H ASP A 38 32.911 -9.388 -0.249 1.00 63.12 H new ATOM 0 HA ASP A 38 35.353 -7.964 0.040 1.00 31.11 H new ATOM 0 HB2 ASP A 38 34.349 -9.770 1.554 1.00 35.33 H new ATOM 0 HB3 ASP A 38 34.860 -10.947 0.361 1.00 35.33 H new ATOM 586 N GLU A 39 35.054 -9.852 -2.557 1.00 42.42 N ATOM 587 CA GLU A 39 35.701 -10.296 -3.786 1.00 61.40 C ATOM 588 C GLU A 39 36.111 -9.105 -4.647 1.00 70.11 C ATOM 589 O GLU A 39 35.903 -7.953 -4.270 1.00 51.31 O ATOM 590 CB GLU A 39 34.767 -11.214 -4.577 1.00 73.03 C ATOM 591 CG GLU A 39 34.325 -12.445 -3.805 1.00 31.45 C ATOM 592 CD GLU A 39 35.487 -13.184 -3.170 1.00 23.10 C ATOM 593 OE1 GLU A 39 36.382 -13.635 -3.915 1.00 31.41 O ATOM 594 OE2 GLU A 39 35.502 -13.310 -1.927 1.00 72.35 O ATOM 0 H GLU A 39 34.042 -9.975 -2.544 1.00 42.42 H new ATOM 0 HA GLU A 39 36.599 -10.851 -3.513 1.00 61.40 H new ATOM 0 HB2 GLU A 39 33.885 -10.649 -4.878 1.00 73.03 H new ATOM 0 HB3 GLU A 39 35.270 -11.530 -5.491 1.00 73.03 H new ATOM 0 HG2 GLU A 39 33.620 -12.148 -3.028 1.00 31.45 H new ATOM 0 HG3 GLU A 39 33.794 -13.119 -4.477 1.00 31.45 H new ATOM 601 N ASN A 40 36.695 -9.393 -5.806 1.00 4.05 N ATOM 602 CA ASN A 40 37.136 -8.346 -6.720 1.00 61.13 C ATOM 603 C ASN A 40 37.118 -8.841 -8.163 1.00 61.52 C ATOM 604 O ASN A 40 37.777 -8.273 -9.034 1.00 3.12 O ATOM 605 CB ASN A 40 38.543 -7.874 -6.349 1.00 23.33 C ATOM 606 CG ASN A 40 38.902 -6.554 -7.003 1.00 61.10 C ATOM 607 OD1 ASN A 40 38.253 -5.535 -6.767 1.00 3.13 O ATOM 608 ND2 ASN A 40 39.940 -6.567 -7.831 1.00 62.21 N ATOM 0 H ASN A 40 36.874 -10.342 -6.134 1.00 4.05 H new ATOM 0 HA ASN A 40 36.445 -7.508 -6.633 1.00 61.13 H new ATOM 0 HB2 ASN A 40 38.615 -7.771 -5.266 1.00 23.33 H new ATOM 0 HB3 ASN A 40 39.268 -8.632 -6.646 1.00 23.33 H new ATOM 0 HD21 ASN A 40 40.228 -5.709 -8.301 1.00 62.21 H new ATOM 0 HD22 ASN A 40 40.449 -7.435 -7.997 1.00 62.21 H new ATOM 615 N ASP A 41 36.359 -9.904 -8.409 1.00 0.34 N ATOM 616 CA ASP A 41 36.253 -10.475 -9.746 1.00 63.21 C ATOM 617 C ASP A 41 34.959 -10.036 -10.424 1.00 44.52 C ATOM 618 O ASP A 41 33.901 -9.986 -9.796 1.00 25.03 O ATOM 619 CB ASP A 41 36.315 -12.002 -9.678 1.00 15.03 C ATOM 620 CG ASP A 41 37.724 -12.533 -9.852 1.00 73.21 C ATOM 621 OD1 ASP A 41 38.583 -12.225 -9.001 1.00 2.35 O ATOM 622 OD2 ASP A 41 37.967 -13.257 -10.841 1.00 3.24 O ATOM 0 H ASP A 41 35.808 -10.387 -7.699 1.00 0.34 H new ATOM 0 HA ASP A 41 37.093 -10.111 -10.337 1.00 63.21 H new ATOM 0 HB2 ASP A 41 35.920 -12.336 -8.719 1.00 15.03 H new ATOM 0 HB3 ASP A 41 35.673 -12.423 -10.451 1.00 15.03 H new ATOM 627 N THR A 42 35.051 -9.716 -11.711 1.00 52.44 N ATOM 628 CA THR A 42 33.889 -9.278 -12.474 1.00 51.34 C ATOM 629 C THR A 42 32.928 -10.434 -12.726 1.00 23.45 C ATOM 630 O THR A 42 31.717 -10.238 -12.823 1.00 11.31 O ATOM 631 CB THR A 42 34.303 -8.666 -13.826 1.00 74.23 C ATOM 632 OG1 THR A 42 35.044 -9.623 -14.591 1.00 23.44 O ATOM 633 CG2 THR A 42 35.142 -7.414 -13.620 1.00 20.42 C ATOM 0 H THR A 42 35.918 -9.752 -12.247 1.00 52.44 H new ATOM 0 HA THR A 42 33.388 -8.517 -11.876 1.00 51.34 H new ATOM 0 HB THR A 42 33.398 -8.392 -14.367 1.00 74.23 H new ATOM 0 HG1 THR A 42 35.302 -9.227 -15.449 1.00 23.44 H new ATOM 0 HG21 THR A 42 35.422 -7.000 -14.589 1.00 20.42 H new ATOM 0 HG22 THR A 42 34.564 -6.676 -13.064 1.00 20.42 H new ATOM 0 HG23 THR A 42 36.042 -7.667 -13.060 1.00 20.42 H new ATOM 641 N ASP A 43 33.476 -11.640 -12.829 1.00 30.22 N ATOM 642 CA ASP A 43 32.667 -12.830 -13.067 1.00 14.22 C ATOM 643 C ASP A 43 31.766 -13.123 -11.871 1.00 5.14 C ATOM 644 O ASP A 43 30.572 -13.378 -12.027 1.00 2.02 O ATOM 645 CB ASP A 43 33.564 -14.035 -13.353 1.00 3.43 C ATOM 646 CG ASP A 43 34.738 -13.683 -14.246 1.00 21.24 C ATOM 647 OD1 ASP A 43 34.544 -13.605 -15.476 1.00 60.15 O ATOM 648 OD2 ASP A 43 35.851 -13.487 -13.713 1.00 60.25 O ATOM 0 H ASP A 43 34.477 -11.819 -12.751 1.00 30.22 H new ATOM 0 HA ASP A 43 32.037 -12.642 -13.936 1.00 14.22 H new ATOM 0 HB2 ASP A 43 33.936 -14.439 -12.411 1.00 3.43 H new ATOM 0 HB3 ASP A 43 32.974 -14.820 -13.826 1.00 3.43 H new ATOM 653 N VAL A 44 32.348 -13.086 -10.676 1.00 13.33 N ATOM 654 CA VAL A 44 31.599 -13.347 -9.453 1.00 35.24 C ATOM 655 C VAL A 44 30.613 -12.221 -9.160 1.00 64.02 C ATOM 656 O VAL A 44 29.494 -12.463 -8.711 1.00 32.54 O ATOM 657 CB VAL A 44 32.538 -13.519 -8.245 1.00 4.25 C ATOM 658 CG1 VAL A 44 33.390 -12.273 -8.049 1.00 34.51 C ATOM 659 CG2 VAL A 44 31.739 -13.831 -6.988 1.00 63.24 C ATOM 0 H VAL A 44 33.336 -12.878 -10.529 1.00 13.33 H new ATOM 0 HA VAL A 44 31.049 -14.275 -9.612 1.00 35.24 H new ATOM 0 HB VAL A 44 33.204 -14.359 -8.442 1.00 4.25 H new ATOM 0 HG11 VAL A 44 34.047 -12.413 -7.191 1.00 34.51 H new ATOM 0 HG12 VAL A 44 33.991 -12.099 -8.942 1.00 34.51 H new ATOM 0 HG13 VAL A 44 32.743 -11.414 -7.874 1.00 34.51 H new ATOM 0 HG21 VAL A 44 32.419 -13.949 -6.145 1.00 63.24 H new ATOM 0 HG22 VAL A 44 31.047 -13.014 -6.784 1.00 63.24 H new ATOM 0 HG23 VAL A 44 31.178 -14.754 -7.133 1.00 63.24 H new ATOM 669 N MET A 45 31.038 -10.989 -9.419 1.00 41.32 N ATOM 670 CA MET A 45 30.192 -9.824 -9.185 1.00 71.22 C ATOM 671 C MET A 45 29.043 -9.777 -10.187 1.00 40.25 C ATOM 672 O MET A 45 27.897 -9.522 -9.820 1.00 13.52 O ATOM 673 CB MET A 45 31.018 -8.540 -9.278 1.00 1.14 C ATOM 674 CG MET A 45 31.582 -8.083 -7.942 1.00 41.31 C ATOM 675 SD MET A 45 30.307 -7.480 -6.819 1.00 53.33 S ATOM 676 CE MET A 45 30.027 -5.837 -7.476 1.00 11.24 C ATOM 0 H MET A 45 31.963 -10.771 -9.791 1.00 41.32 H new ATOM 0 HA MET A 45 29.773 -9.906 -8.182 1.00 71.22 H new ATOM 0 HB2 MET A 45 31.840 -8.696 -9.976 1.00 1.14 H new ATOM 0 HB3 MET A 45 30.396 -7.746 -9.691 1.00 1.14 H new ATOM 0 HG2 MET A 45 32.111 -8.912 -7.473 1.00 41.31 H new ATOM 0 HG3 MET A 45 32.314 -7.293 -8.112 1.00 41.31 H new ATOM 0 HE1 MET A 45 30.176 -5.100 -6.687 1.00 11.24 H new ATOM 0 HE2 MET A 45 30.728 -5.646 -8.288 1.00 11.24 H new ATOM 0 HE3 MET A 45 29.007 -5.765 -7.853 1.00 11.24 H new ATOM 686 N MET A 46 29.359 -10.024 -11.455 1.00 35.04 N ATOM 687 CA MET A 46 28.351 -10.010 -12.509 1.00 63.12 C ATOM 688 C MET A 46 27.375 -11.170 -12.344 1.00 31.43 C ATOM 689 O MET A 46 26.180 -11.031 -12.607 1.00 4.10 O ATOM 690 CB MET A 46 29.020 -10.083 -13.883 1.00 51.13 C ATOM 691 CG MET A 46 29.498 -11.478 -14.254 1.00 15.33 C ATOM 692 SD MET A 46 30.228 -11.547 -15.901 1.00 21.14 S ATOM 693 CE MET A 46 28.772 -11.352 -16.925 1.00 61.34 C ATOM 0 H MET A 46 30.303 -10.236 -11.777 1.00 35.04 H new ATOM 0 HA MET A 46 27.794 -9.076 -12.432 1.00 63.12 H new ATOM 0 HB2 MET A 46 28.316 -9.736 -14.639 1.00 51.13 H new ATOM 0 HB3 MET A 46 29.869 -9.400 -13.901 1.00 51.13 H new ATOM 0 HG2 MET A 46 30.232 -11.813 -13.521 1.00 15.33 H new ATOM 0 HG3 MET A 46 28.658 -12.171 -14.204 1.00 15.33 H new ATOM 0 HE1 MET A 46 29.013 -11.619 -17.954 1.00 61.34 H new ATOM 0 HE2 MET A 46 27.979 -12.003 -16.557 1.00 61.34 H new ATOM 0 HE3 MET A 46 28.437 -10.315 -16.888 1.00 61.34 H new ATOM 703 N ASP A 47 27.891 -12.314 -11.907 1.00 13.12 N ATOM 704 CA ASP A 47 27.064 -13.498 -11.706 1.00 32.23 C ATOM 705 C ASP A 47 26.125 -13.310 -10.518 1.00 72.03 C ATOM 706 O ASP A 47 24.955 -13.690 -10.572 1.00 70.22 O ATOM 707 CB ASP A 47 27.944 -14.730 -11.486 1.00 11.43 C ATOM 708 CG ASP A 47 27.143 -15.947 -11.068 1.00 55.13 C ATOM 709 OD1 ASP A 47 26.191 -16.308 -11.793 1.00 23.43 O ATOM 710 OD2 ASP A 47 27.467 -16.539 -10.018 1.00 10.32 O ATOM 0 H ASP A 47 28.878 -12.446 -11.685 1.00 13.12 H new ATOM 0 HA ASP A 47 26.462 -13.646 -12.602 1.00 32.23 H new ATOM 0 HB2 ASP A 47 28.487 -14.954 -12.404 1.00 11.43 H new ATOM 0 HB3 ASP A 47 28.689 -14.509 -10.722 1.00 11.43 H new ATOM 715 N PHE A 48 26.645 -12.722 -9.446 1.00 43.02 N ATOM 716 CA PHE A 48 25.854 -12.485 -8.244 1.00 62.23 C ATOM 717 C PHE A 48 24.843 -11.365 -8.471 1.00 34.41 C ATOM 718 O PHE A 48 23.674 -11.486 -8.102 1.00 21.42 O ATOM 719 CB PHE A 48 26.767 -12.133 -7.068 1.00 43.43 C ATOM 720 CG PHE A 48 26.024 -11.648 -5.857 1.00 0.44 C ATOM 721 CD1 PHE A 48 25.741 -10.301 -5.694 1.00 70.02 C ATOM 722 CD2 PHE A 48 25.608 -12.538 -4.880 1.00 72.33 C ATOM 723 CE1 PHE A 48 25.058 -9.852 -4.580 1.00 31.12 C ATOM 724 CE2 PHE A 48 24.924 -12.095 -3.764 1.00 31.32 C ATOM 725 CZ PHE A 48 24.648 -10.750 -3.614 1.00 73.40 C ATOM 0 H PHE A 48 27.611 -12.401 -9.385 1.00 43.02 H new ATOM 0 HA PHE A 48 25.310 -13.400 -8.011 1.00 62.23 H new ATOM 0 HB2 PHE A 48 27.353 -13.012 -6.797 1.00 43.43 H new ATOM 0 HB3 PHE A 48 27.473 -11.364 -7.383 1.00 43.43 H new ATOM 0 HD1 PHE A 48 26.058 -9.594 -6.446 1.00 70.02 H new ATOM 0 HD2 PHE A 48 25.821 -13.591 -4.992 1.00 72.33 H new ATOM 0 HE1 PHE A 48 24.845 -8.800 -4.465 1.00 31.12 H new ATOM 0 HE2 PHE A 48 24.606 -12.800 -3.010 1.00 31.32 H new ATOM 0 HZ PHE A 48 24.113 -10.401 -2.743 1.00 73.40 H new ATOM 735 N ILE A 49 25.301 -10.277 -9.079 1.00 52.32 N ATOM 736 CA ILE A 49 24.437 -9.136 -9.355 1.00 53.25 C ATOM 737 C ILE A 49 23.291 -9.526 -10.284 1.00 5.41 C ATOM 738 O ILE A 49 22.129 -9.223 -10.014 1.00 3.11 O ATOM 739 CB ILE A 49 25.224 -7.974 -9.990 1.00 11.25 C ATOM 740 CG1 ILE A 49 25.704 -7.004 -8.908 1.00 14.21 C ATOM 741 CG2 ILE A 49 24.365 -7.249 -11.015 1.00 72.41 C ATOM 742 CD1 ILE A 49 26.799 -7.570 -8.032 1.00 1.44 C ATOM 0 H ILE A 49 26.265 -10.161 -9.390 1.00 52.32 H new ATOM 0 HA ILE A 49 24.031 -8.809 -8.398 1.00 53.25 H new ATOM 0 HB ILE A 49 26.097 -8.382 -10.500 1.00 11.25 H new ATOM 0 HG12 ILE A 49 26.065 -6.092 -9.383 1.00 14.21 H new ATOM 0 HG13 ILE A 49 24.857 -6.723 -8.282 1.00 14.21 H new ATOM 0 HG21 ILE A 49 24.936 -6.431 -11.454 1.00 72.41 H new ATOM 0 HG22 ILE A 49 24.068 -7.946 -11.799 1.00 72.41 H new ATOM 0 HG23 ILE A 49 23.475 -6.850 -10.527 1.00 72.41 H new ATOM 0 HD11 ILE A 49 27.090 -6.828 -7.288 1.00 1.44 H new ATOM 0 HD12 ILE A 49 26.436 -8.466 -7.528 1.00 1.44 H new ATOM 0 HD13 ILE A 49 27.662 -7.825 -8.647 1.00 1.44 H new ATOM 754 N SER A 50 23.628 -10.201 -11.378 1.00 51.34 N ATOM 755 CA SER A 50 22.628 -10.631 -12.349 1.00 11.14 C ATOM 756 C SER A 50 21.671 -11.645 -11.729 1.00 61.13 C ATOM 757 O SER A 50 20.469 -11.622 -11.994 1.00 31.44 O ATOM 758 CB SER A 50 23.307 -11.238 -13.578 1.00 22.24 C ATOM 759 OG SER A 50 22.472 -11.149 -14.719 1.00 14.34 O ATOM 0 H SER A 50 24.585 -10.462 -11.614 1.00 51.34 H new ATOM 0 HA SER A 50 22.055 -9.756 -12.656 1.00 11.14 H new ATOM 0 HB2 SER A 50 24.247 -10.721 -13.770 1.00 22.24 H new ATOM 0 HB3 SER A 50 23.552 -12.282 -13.383 1.00 22.24 H new ATOM 0 HG SER A 50 22.930 -11.542 -15.491 1.00 14.34 H new ATOM 765 N ARG A 51 22.214 -12.534 -10.904 1.00 1.23 N ATOM 766 CA ARG A 51 21.410 -13.558 -10.247 1.00 41.41 C ATOM 767 C ARG A 51 20.515 -12.942 -9.176 1.00 10.32 C ATOM 768 O ARG A 51 19.427 -13.445 -8.896 1.00 72.33 O ATOM 769 CB ARG A 51 22.313 -14.622 -9.622 1.00 22.31 C ATOM 770 CG ARG A 51 21.552 -15.805 -9.045 1.00 52.33 C ATOM 771 CD ARG A 51 21.044 -16.728 -10.141 1.00 75.14 C ATOM 772 NE ARG A 51 19.780 -16.262 -10.708 1.00 25.24 N ATOM 773 CZ ARG A 51 19.174 -16.849 -11.734 1.00 3.13 C ATOM 774 NH1 ARG A 51 19.713 -17.919 -12.303 1.00 14.44 N ATOM 775 NH2 ARG A 51 18.027 -16.366 -12.192 1.00 53.23 N ATOM 0 H ARG A 51 23.207 -12.566 -10.674 1.00 1.23 H new ATOM 0 HA ARG A 51 20.776 -14.026 -11.000 1.00 41.41 H new ATOM 0 HB2 ARG A 51 23.011 -14.983 -10.377 1.00 22.31 H new ATOM 0 HB3 ARG A 51 22.908 -14.163 -8.832 1.00 22.31 H new ATOM 0 HG2 ARG A 51 22.201 -16.363 -8.370 1.00 52.33 H new ATOM 0 HG3 ARG A 51 20.711 -15.444 -8.453 1.00 52.33 H new ATOM 0 HD2 ARG A 51 21.792 -16.798 -10.931 1.00 75.14 H new ATOM 0 HD3 ARG A 51 20.912 -17.732 -9.737 1.00 75.14 H new ATOM 0 HE ARG A 51 19.339 -15.441 -10.293 1.00 25.24 H new ATOM 0 HH11 ARG A 51 20.595 -18.293 -11.953 1.00 14.44 H new ATOM 0 HH12 ARG A 51 19.246 -18.368 -13.091 1.00 14.44 H new ATOM 0 HH21 ARG A 51 17.610 -15.543 -11.756 1.00 53.23 H new ATOM 0 HH22 ARG A 51 17.562 -16.817 -12.980 1.00 53.23 H new ATOM 789 N PHE A 52 20.981 -11.850 -8.579 1.00 10.41 N ATOM 790 CA PHE A 52 20.224 -11.166 -7.537 1.00 53.41 C ATOM 791 C PHE A 52 19.364 -10.054 -8.131 1.00 11.41 C ATOM 792 O PHE A 52 18.495 -9.500 -7.458 1.00 1.10 O ATOM 793 CB PHE A 52 21.172 -10.586 -6.485 1.00 73.11 C ATOM 794 CG PHE A 52 21.464 -11.532 -5.356 1.00 31.15 C ATOM 795 CD1 PHE A 52 21.856 -12.836 -5.610 1.00 63.24 C ATOM 796 CD2 PHE A 52 21.346 -11.117 -4.039 1.00 33.12 C ATOM 797 CE1 PHE A 52 22.126 -13.709 -4.573 1.00 64.23 C ATOM 798 CE2 PHE A 52 21.615 -11.985 -2.998 1.00 32.43 C ATOM 799 CZ PHE A 52 22.004 -13.283 -3.265 1.00 64.32 C ATOM 0 H PHE A 52 21.879 -11.420 -8.799 1.00 10.41 H new ATOM 0 HA PHE A 52 19.568 -11.895 -7.062 1.00 53.41 H new ATOM 0 HB2 PHE A 52 22.109 -10.307 -6.966 1.00 73.11 H new ATOM 0 HB3 PHE A 52 20.737 -9.672 -6.080 1.00 73.11 H new ATOM 0 HD1 PHE A 52 21.952 -13.175 -6.631 1.00 63.24 H new ATOM 0 HD2 PHE A 52 21.040 -10.104 -3.824 1.00 33.12 H new ATOM 0 HE1 PHE A 52 22.432 -14.723 -4.785 1.00 64.23 H new ATOM 0 HE2 PHE A 52 21.521 -11.649 -1.976 1.00 32.43 H new ATOM 0 HZ PHE A 52 22.212 -13.963 -2.453 1.00 64.32 H new ATOM 809 N ALA A 53 19.614 -9.732 -9.396 1.00 31.20 N ATOM 810 CA ALA A 53 18.863 -8.688 -10.082 1.00 13.05 C ATOM 811 C ALA A 53 18.085 -9.257 -11.263 1.00 61.05 C ATOM 812 O ALA A 53 17.844 -10.462 -11.337 1.00 53.04 O ATOM 813 CB ALA A 53 19.799 -7.583 -10.546 1.00 43.34 C ATOM 0 H ALA A 53 20.331 -10.180 -9.967 1.00 31.20 H new ATOM 0 HA ALA A 53 18.145 -8.268 -9.377 1.00 13.05 H new ATOM 0 HB1 ALA A 53 19.225 -6.810 -11.057 1.00 43.34 H new ATOM 0 HB2 ALA A 53 20.305 -7.149 -9.684 1.00 43.34 H new ATOM 0 HB3 ALA A 53 20.539 -7.997 -11.231 1.00 43.34 H new ATOM 884 N ILE A 58 9.113 -0.372 -11.400 1.00 2.12 N ATOM 885 CA ILE A 58 8.147 -0.147 -10.332 1.00 22.02 C ATOM 886 C ILE A 58 6.752 0.100 -10.896 1.00 30.05 C ATOM 887 O ILE A 58 6.571 0.920 -11.795 1.00 65.13 O ATOM 888 CB ILE A 58 8.551 1.049 -9.450 1.00 4.02 C ATOM 889 CG1 ILE A 58 9.373 2.054 -10.260 1.00 61.41 C ATOM 890 CG2 ILE A 58 9.335 0.571 -8.237 1.00 3.44 C ATOM 891 CD1 ILE A 58 8.592 2.714 -11.374 1.00 51.04 C ATOM 0 HA ILE A 58 8.135 -1.050 -9.722 1.00 22.02 H new ATOM 0 HB ILE A 58 7.646 1.546 -9.101 1.00 4.02 H new ATOM 0 HG12 ILE A 58 9.755 2.824 -9.589 1.00 61.41 H new ATOM 0 HG13 ILE A 58 10.238 1.545 -10.686 1.00 61.41 H new ATOM 0 HG21 ILE A 58 9.614 1.428 -7.623 1.00 3.44 H new ATOM 0 HG22 ILE A 58 8.719 -0.110 -7.651 1.00 3.44 H new ATOM 0 HG23 ILE A 58 10.235 0.053 -8.567 1.00 3.44 H new ATOM 0 HD11 ILE A 58 9.237 3.414 -11.906 1.00 51.04 H new ATOM 0 HD12 ILE A 58 8.233 1.953 -12.067 1.00 51.04 H new ATOM 0 HD13 ILE A 58 7.742 3.252 -10.954 1.00 51.04 H new ATOM 903 N MET A 59 5.768 -0.614 -10.359 1.00 11.24 N ATOM 904 CA MET A 59 4.388 -0.470 -10.806 1.00 55.43 C ATOM 905 C MET A 59 3.773 0.818 -10.268 1.00 1.53 C ATOM 906 O MET A 59 4.275 1.425 -9.321 1.00 55.20 O ATOM 907 CB MET A 59 3.555 -1.672 -10.358 1.00 20.25 C ATOM 908 CG MET A 59 3.737 -2.899 -11.236 1.00 72.14 C ATOM 909 SD MET A 59 3.096 -2.660 -12.905 1.00 11.44 S ATOM 910 CE MET A 59 1.477 -3.412 -12.757 1.00 1.33 C ATOM 0 H MET A 59 5.901 -1.298 -9.614 1.00 11.24 H new ATOM 0 HA MET A 59 4.389 -0.424 -11.895 1.00 55.43 H new ATOM 0 HB2 MET A 59 3.822 -1.927 -9.332 1.00 20.25 H new ATOM 0 HB3 MET A 59 2.502 -1.392 -10.353 1.00 20.25 H new ATOM 0 HG2 MET A 59 4.797 -3.148 -11.290 1.00 72.14 H new ATOM 0 HG3 MET A 59 3.233 -3.749 -10.775 1.00 72.14 H new ATOM 0 HE1 MET A 59 0.955 -3.343 -13.711 1.00 1.33 H new ATOM 0 HE2 MET A 59 1.587 -4.460 -12.478 1.00 1.33 H new ATOM 0 HE3 MET A 59 0.903 -2.891 -11.991 1.00 1.33 H new ATOM 920 N PRO A 60 2.661 1.248 -10.883 1.00 64.45 N ATOM 921 CA PRO A 60 1.955 2.468 -10.482 1.00 71.30 C ATOM 922 C PRO A 60 1.267 2.321 -9.129 1.00 74.43 C ATOM 923 O PRO A 60 0.841 3.307 -8.529 1.00 62.03 O ATOM 924 CB PRO A 60 0.918 2.659 -11.592 1.00 30.53 C ATOM 925 CG PRO A 60 0.692 1.291 -12.138 1.00 13.10 C ATOM 926 CD PRO A 60 2.008 0.574 -12.019 1.00 2.43 C ATOM 0 HA PRO A 60 2.634 3.312 -10.365 1.00 71.30 H new ATOM 0 HB2 PRO A 60 -0.005 3.087 -11.202 1.00 30.53 H new ATOM 0 HB3 PRO A 60 1.283 3.338 -12.363 1.00 30.53 H new ATOM 0 HG2 PRO A 60 -0.087 0.772 -11.579 1.00 13.10 H new ATOM 0 HG3 PRO A 60 0.364 1.335 -13.177 1.00 13.10 H new ATOM 0 HD2 PRO A 60 1.870 -0.491 -11.830 1.00 2.43 H new ATOM 0 HD3 PRO A 60 2.598 0.662 -12.932 1.00 2.43 H new ATOM 934 N GLU A 61 1.161 1.083 -8.655 1.00 64.04 N ATOM 935 CA GLU A 61 0.524 0.808 -7.373 1.00 51.40 C ATOM 936 C GLU A 61 1.527 0.931 -6.230 1.00 11.35 C ATOM 937 O GLU A 61 1.146 1.100 -5.071 1.00 40.40 O ATOM 938 CB GLU A 61 -0.095 -0.591 -7.375 1.00 62.01 C ATOM 939 CG GLU A 61 0.920 -1.705 -7.182 1.00 71.41 C ATOM 940 CD GLU A 61 0.409 -3.049 -7.664 1.00 21.42 C ATOM 941 OE1 GLU A 61 -0.452 -3.638 -6.977 1.00 65.53 O ATOM 942 OE2 GLU A 61 0.870 -3.512 -8.728 1.00 44.34 O ATOM 0 H GLU A 61 1.508 0.255 -9.140 1.00 64.04 H new ATOM 0 HA GLU A 61 -0.264 1.545 -7.223 1.00 51.40 H new ATOM 0 HB2 GLU A 61 -0.842 -0.650 -6.583 1.00 62.01 H new ATOM 0 HB3 GLU A 61 -0.618 -0.747 -8.319 1.00 62.01 H new ATOM 0 HG2 GLU A 61 1.835 -1.455 -7.719 1.00 71.41 H new ATOM 0 HG3 GLU A 61 1.179 -1.776 -6.126 1.00 71.41 H new ATOM 949 N ASP A 62 2.810 0.844 -6.564 1.00 14.42 N ATOM 950 CA ASP A 62 3.868 0.946 -5.566 1.00 44.22 C ATOM 951 C ASP A 62 4.819 2.093 -5.897 1.00 74.22 C ATOM 952 O ASP A 62 4.550 2.899 -6.788 1.00 13.11 O ATOM 953 CB ASP A 62 4.646 -0.368 -5.480 1.00 73.24 C ATOM 954 CG ASP A 62 4.446 -1.240 -6.705 1.00 11.14 C ATOM 955 OD1 ASP A 62 5.052 -0.937 -7.753 1.00 64.32 O ATOM 956 OD2 ASP A 62 3.682 -2.224 -6.614 1.00 63.24 O ATOM 0 H ASP A 62 3.142 0.703 -7.518 1.00 14.42 H new ATOM 0 HA ASP A 62 3.404 1.149 -4.601 1.00 44.22 H new ATOM 0 HB2 ASP A 62 5.708 -0.151 -5.361 1.00 73.24 H new ATOM 0 HB3 ASP A 62 4.331 -0.916 -4.592 1.00 73.24 H new ATOM 961 N LYS A 63 5.931 2.160 -5.173 1.00 52.35 N ATOM 962 CA LYS A 63 6.922 3.208 -5.389 1.00 62.52 C ATOM 963 C LYS A 63 8.321 2.714 -5.035 1.00 22.32 C ATOM 964 O LYS A 63 8.508 1.552 -4.672 1.00 71.44 O ATOM 965 CB LYS A 63 6.579 4.443 -4.554 1.00 1.01 C ATOM 966 CG LYS A 63 5.609 4.160 -3.420 1.00 52.40 C ATOM 967 CD LYS A 63 5.672 5.238 -2.350 1.00 63.52 C ATOM 968 CE LYS A 63 4.715 6.380 -2.652 1.00 41.33 C ATOM 969 NZ LYS A 63 4.445 7.211 -1.446 1.00 73.12 N ATOM 0 H LYS A 63 6.169 1.501 -4.432 1.00 52.35 H new ATOM 0 HA LYS A 63 6.907 3.476 -6.445 1.00 62.52 H new ATOM 0 HB2 LYS A 63 7.498 4.858 -4.140 1.00 1.01 H new ATOM 0 HB3 LYS A 63 6.151 5.204 -5.206 1.00 1.01 H new ATOM 0 HG2 LYS A 63 4.595 4.097 -3.815 1.00 52.40 H new ATOM 0 HG3 LYS A 63 5.839 3.192 -2.976 1.00 52.40 H new ATOM 0 HD2 LYS A 63 5.428 4.804 -1.380 1.00 63.52 H new ATOM 0 HD3 LYS A 63 6.689 5.623 -2.280 1.00 63.52 H new ATOM 0 HE2 LYS A 63 5.135 7.007 -3.439 1.00 41.33 H new ATOM 0 HE3 LYS A 63 3.777 5.977 -3.033 1.00 41.33 H new ATOM 0 HZ1 LYS A 63 3.788 7.979 -1.693 1.00 73.12 H new ATOM 0 HZ2 LYS A 63 4.021 6.618 -0.704 1.00 73.12 H new ATOM 0 HZ3 LYS A 63 5.337 7.617 -1.097 1.00 73.12 H new ATOM 983 N THR A 64 9.303 3.604 -5.140 1.00 53.21 N ATOM 984 CA THR A 64 10.684 3.259 -4.831 1.00 4.14 C ATOM 985 C THR A 64 11.195 4.054 -3.634 1.00 72.20 C ATOM 986 O THR A 64 11.303 5.279 -3.690 1.00 64.23 O ATOM 987 CB THR A 64 11.611 3.514 -6.035 1.00 15.23 C ATOM 988 OG1 THR A 64 11.703 2.334 -6.841 1.00 13.15 O ATOM 989 CG2 THR A 64 12.999 3.928 -5.571 1.00 62.43 C ATOM 0 H THR A 64 9.166 4.570 -5.437 1.00 53.21 H new ATOM 0 HA THR A 64 10.697 2.196 -4.591 1.00 4.14 H new ATOM 0 HB THR A 64 11.187 4.325 -6.627 1.00 15.23 H new ATOM 0 HG1 THR A 64 12.293 2.505 -7.605 1.00 13.15 H new ATOM 0 HG21 THR A 64 13.636 4.103 -6.438 1.00 62.43 H new ATOM 0 HG22 THR A 64 12.928 4.843 -4.983 1.00 62.43 H new ATOM 0 HG23 THR A 64 13.429 3.136 -4.959 1.00 62.43 H new ATOM 997 N VAL A 65 11.508 3.349 -2.551 1.00 52.03 N ATOM 998 CA VAL A 65 12.009 3.989 -1.341 1.00 0.10 C ATOM 999 C VAL A 65 13.156 4.942 -1.658 1.00 25.52 C ATOM 1000 O VAL A 65 13.267 6.015 -1.067 1.00 42.01 O ATOM 1001 CB VAL A 65 12.490 2.948 -0.313 1.00 72.42 C ATOM 1002 CG1 VAL A 65 13.274 1.840 -1.001 1.00 55.33 C ATOM 1003 CG2 VAL A 65 13.329 3.614 0.767 1.00 34.41 C ATOM 0 H VAL A 65 11.423 2.335 -2.487 1.00 52.03 H new ATOM 0 HA VAL A 65 11.179 4.553 -0.915 1.00 0.10 H new ATOM 0 HB VAL A 65 11.616 2.501 0.161 1.00 72.42 H new ATOM 0 HG11 VAL A 65 13.606 1.114 -0.259 1.00 55.33 H new ATOM 0 HG12 VAL A 65 12.637 1.345 -1.734 1.00 55.33 H new ATOM 0 HG13 VAL A 65 14.142 2.267 -1.504 1.00 55.33 H new ATOM 0 HG21 VAL A 65 13.660 2.864 1.485 1.00 34.41 H new ATOM 0 HG22 VAL A 65 14.198 4.089 0.312 1.00 34.41 H new ATOM 0 HG23 VAL A 65 12.731 4.367 1.280 1.00 34.41 H new ATOM 1013 N GLY A 66 14.009 4.541 -2.596 1.00 24.31 N ATOM 1014 CA GLY A 66 15.138 5.370 -2.976 1.00 12.42 C ATOM 1015 C GLY A 66 16.281 4.563 -3.557 1.00 25.11 C ATOM 1016 O GLY A 66 16.128 3.377 -3.849 1.00 70.23 O ATOM 0 H GLY A 66 13.938 3.657 -3.099 1.00 24.31 H new ATOM 0 HA2 GLY A 66 14.812 6.110 -3.707 1.00 12.42 H new ATOM 0 HA3 GLY A 66 15.492 5.919 -2.103 1.00 12.42 H new ATOM 1020 N PHE A 67 17.432 5.206 -3.727 1.00 13.52 N ATOM 1021 CA PHE A 67 18.606 4.541 -4.280 1.00 14.13 C ATOM 1022 C PHE A 67 19.828 4.772 -3.397 1.00 2.25 C ATOM 1023 O PHE A 67 19.972 5.828 -2.780 1.00 43.23 O ATOM 1024 CB PHE A 67 18.884 5.046 -5.697 1.00 73.52 C ATOM 1025 CG PHE A 67 18.901 6.543 -5.808 1.00 4.32 C ATOM 1026 CD1 PHE A 67 20.077 7.251 -5.620 1.00 4.33 C ATOM 1027 CD2 PHE A 67 17.742 7.243 -6.099 1.00 53.42 C ATOM 1028 CE1 PHE A 67 20.097 8.630 -5.721 1.00 63.41 C ATOM 1029 CE2 PHE A 67 17.756 8.622 -6.202 1.00 74.43 C ATOM 1030 CZ PHE A 67 18.934 9.316 -6.012 1.00 25.43 C ATOM 0 H PHE A 67 17.576 6.187 -3.489 1.00 13.52 H new ATOM 0 HA PHE A 67 18.403 3.471 -4.316 1.00 14.13 H new ATOM 0 HB2 PHE A 67 19.844 4.654 -6.032 1.00 73.52 H new ATOM 0 HB3 PHE A 67 18.125 4.648 -6.371 1.00 73.52 H new ATOM 0 HD1 PHE A 67 20.989 6.719 -5.392 1.00 4.33 H new ATOM 0 HD2 PHE A 67 16.817 6.706 -6.247 1.00 53.42 H new ATOM 0 HE1 PHE A 67 21.021 9.170 -5.573 1.00 63.41 H new ATOM 0 HE2 PHE A 67 16.846 9.156 -6.431 1.00 74.43 H new ATOM 0 HZ PHE A 67 18.946 10.393 -6.091 1.00 25.43 H new ATOM 1040 N VAL A 68 20.707 3.776 -3.340 1.00 13.23 N ATOM 1041 CA VAL A 68 21.918 3.870 -2.533 1.00 74.20 C ATOM 1042 C VAL A 68 23.166 3.774 -3.403 1.00 1.23 C ATOM 1043 O VAL A 68 23.300 2.861 -4.217 1.00 50.25 O ATOM 1044 CB VAL A 68 21.965 2.764 -1.462 1.00 64.21 C ATOM 1045 CG1 VAL A 68 23.279 2.818 -0.697 1.00 32.32 C ATOM 1046 CG2 VAL A 68 20.781 2.888 -0.515 1.00 45.30 C ATOM 0 H VAL A 68 20.603 2.895 -3.843 1.00 13.23 H new ATOM 0 HA VAL A 68 21.896 4.842 -2.040 1.00 74.20 H new ATOM 0 HB VAL A 68 21.901 1.797 -1.960 1.00 64.21 H new ATOM 0 HG11 VAL A 68 23.295 2.030 0.055 1.00 32.32 H new ATOM 0 HG12 VAL A 68 24.109 2.676 -1.389 1.00 32.32 H new ATOM 0 HG13 VAL A 68 23.376 3.788 -0.209 1.00 32.32 H new ATOM 0 HG21 VAL A 68 20.831 2.099 0.235 1.00 45.30 H new ATOM 0 HG22 VAL A 68 20.810 3.859 -0.022 1.00 45.30 H new ATOM 0 HG23 VAL A 68 19.853 2.795 -1.079 1.00 45.30 H new ATOM 1056 N VAL A 69 24.079 4.723 -3.224 1.00 3.43 N ATOM 1057 CA VAL A 69 25.319 4.746 -3.991 1.00 30.02 C ATOM 1058 C VAL A 69 26.496 4.266 -3.148 1.00 55.52 C ATOM 1059 O VAL A 69 26.799 4.841 -2.103 1.00 23.14 O ATOM 1060 CB VAL A 69 25.624 6.159 -4.522 1.00 65.03 C ATOM 1061 CG1 VAL A 69 26.782 6.120 -5.508 1.00 41.13 C ATOM 1062 CG2 VAL A 69 24.386 6.765 -5.165 1.00 42.30 C ATOM 0 H VAL A 69 23.983 5.486 -2.554 1.00 3.43 H new ATOM 0 HA VAL A 69 25.182 4.071 -4.835 1.00 30.02 H new ATOM 0 HB VAL A 69 25.914 6.790 -3.682 1.00 65.03 H new ATOM 0 HG11 VAL A 69 26.983 7.127 -5.873 1.00 41.13 H new ATOM 0 HG12 VAL A 69 27.670 5.730 -5.011 1.00 41.13 H new ATOM 0 HG13 VAL A 69 26.523 5.475 -6.348 1.00 41.13 H new ATOM 0 HG21 VAL A 69 24.620 7.763 -5.535 1.00 42.30 H new ATOM 0 HG22 VAL A 69 24.063 6.137 -5.995 1.00 42.30 H new ATOM 0 HG23 VAL A 69 23.587 6.829 -4.426 1.00 42.30 H new ATOM 1072 N VAL A 70 27.156 3.209 -3.611 1.00 13.53 N ATOM 1073 CA VAL A 70 28.301 2.653 -2.901 1.00 30.34 C ATOM 1074 C VAL A 70 29.527 2.582 -3.804 1.00 52.54 C ATOM 1075 O VAL A 70 29.532 1.869 -4.806 1.00 74.14 O ATOM 1076 CB VAL A 70 27.995 1.244 -2.359 1.00 73.30 C ATOM 1077 CG1 VAL A 70 28.942 0.891 -1.222 1.00 72.12 C ATOM 1078 CG2 VAL A 70 26.546 1.151 -1.905 1.00 52.20 C ATOM 0 H VAL A 70 26.917 2.721 -4.474 1.00 13.53 H new ATOM 0 HA VAL A 70 28.508 3.320 -2.064 1.00 30.34 H new ATOM 0 HB VAL A 70 28.147 0.524 -3.163 1.00 73.30 H new ATOM 0 HG11 VAL A 70 28.710 -0.108 -0.852 1.00 72.12 H new ATOM 0 HG12 VAL A 70 29.970 0.914 -1.584 1.00 72.12 H new ATOM 0 HG13 VAL A 70 28.825 1.613 -0.414 1.00 72.12 H new ATOM 0 HG21 VAL A 70 26.347 0.149 -1.525 1.00 52.20 H new ATOM 0 HG22 VAL A 70 26.364 1.881 -1.116 1.00 52.20 H new ATOM 0 HG23 VAL A 70 25.887 1.357 -2.748 1.00 52.20 H new ATOM 1088 N ASN A 71 30.566 3.328 -3.442 1.00 54.22 N ATOM 1089 CA ASN A 71 31.799 3.351 -4.221 1.00 33.23 C ATOM 1090 C ASN A 71 32.982 2.880 -3.380 1.00 14.31 C ATOM 1091 O ASN A 71 33.420 3.575 -2.464 1.00 22.23 O ATOM 1092 CB ASN A 71 32.065 4.761 -4.752 1.00 60.31 C ATOM 1093 CG ASN A 71 30.815 5.414 -5.310 1.00 64.12 C ATOM 1094 OD1 ASN A 71 30.001 5.982 -4.429 1.00 5.53 O flip ATOM 1095 ND2 ASN A 71 30.585 5.407 -6.520 1.00 0.33 N flip ATOM 0 H ASN A 71 30.579 3.924 -2.615 1.00 54.22 H new ATOM 0 HA ASN A 71 31.681 2.669 -5.063 1.00 33.23 H new ATOM 0 HB2 ASN A 71 32.467 5.379 -3.949 1.00 60.31 H new ATOM 0 HB3 ASN A 71 32.826 4.715 -5.531 1.00 60.31 H new ATOM 0 HD21 ASN A 71 31.239 4.958 -7.161 1.00 0.33 H new ATOM 0 HD22 ASN A 71 29.740 5.850 -6.881 1.00 0.33 H new ATOM 1102 N ALA A 72 33.493 1.696 -3.699 1.00 44.01 N ATOM 1103 CA ALA A 72 34.627 1.134 -2.975 1.00 72.44 C ATOM 1104 C ALA A 72 35.905 1.914 -3.264 1.00 54.22 C ATOM 1105 O ALA A 72 36.742 2.100 -2.382 1.00 5.34 O ATOM 1106 CB ALA A 72 34.809 -0.333 -3.337 1.00 52.03 C ATOM 0 H ALA A 72 33.140 1.107 -4.454 1.00 44.01 H new ATOM 0 HA ALA A 72 34.419 1.211 -1.908 1.00 72.44 H new ATOM 0 HB1 ALA A 72 35.659 -0.740 -2.789 1.00 52.03 H new ATOM 0 HB2 ALA A 72 33.908 -0.887 -3.073 1.00 52.03 H new ATOM 0 HB3 ALA A 72 34.990 -0.424 -4.408 1.00 52.03 H new ATOM 1112 N ASP A 73 36.047 2.368 -4.505 1.00 24.14 N ATOM 1113 CA ASP A 73 37.224 3.129 -4.910 1.00 14.04 C ATOM 1114 C ASP A 73 37.330 4.428 -4.117 1.00 14.11 C ATOM 1115 O ASP A 73 38.426 4.871 -3.773 1.00 33.43 O ATOM 1116 CB ASP A 73 37.169 3.434 -6.407 1.00 62.14 C ATOM 1117 CG ASP A 73 38.515 3.259 -7.083 1.00 71.21 C ATOM 1118 OD1 ASP A 73 39.219 2.281 -6.757 1.00 62.41 O ATOM 1119 OD2 ASP A 73 38.864 4.100 -7.937 1.00 43.34 O ATOM 0 H ASP A 73 35.363 2.222 -5.247 1.00 24.14 H new ATOM 0 HA ASP A 73 38.107 2.525 -4.702 1.00 14.04 H new ATOM 0 HB2 ASP A 73 36.439 2.778 -6.882 1.00 62.14 H new ATOM 0 HB3 ASP A 73 36.822 4.457 -6.554 1.00 62.14 H new ATOM 1124 N LYS A 74 36.183 5.036 -3.831 1.00 62.10 N ATOM 1125 CA LYS A 74 36.145 6.284 -3.079 1.00 4.51 C ATOM 1126 C LYS A 74 35.962 6.017 -1.589 1.00 31.55 C ATOM 1127 O LYS A 74 36.144 6.909 -0.760 1.00 34.44 O ATOM 1128 CB LYS A 74 35.013 7.178 -3.590 1.00 61.15 C ATOM 1129 CG LYS A 74 35.258 7.733 -4.983 1.00 71.41 C ATOM 1130 CD LYS A 74 36.345 8.794 -4.977 1.00 52.44 C ATOM 1131 CE LYS A 74 37.044 8.883 -6.325 1.00 44.20 C ATOM 1132 NZ LYS A 74 38.090 9.944 -6.339 1.00 35.14 N ATOM 0 H LYS A 74 35.267 4.684 -4.109 1.00 62.10 H new ATOM 0 HA LYS A 74 37.097 6.795 -3.224 1.00 4.51 H new ATOM 0 HB2 LYS A 74 34.084 6.608 -3.593 1.00 61.15 H new ATOM 0 HB3 LYS A 74 34.875 8.008 -2.896 1.00 61.15 H new ATOM 0 HG2 LYS A 74 35.543 6.922 -5.654 1.00 71.41 H new ATOM 0 HG3 LYS A 74 34.334 8.160 -5.373 1.00 71.41 H new ATOM 0 HD2 LYS A 74 35.909 9.761 -4.727 1.00 52.44 H new ATOM 0 HD3 LYS A 74 37.076 8.564 -4.202 1.00 52.44 H new ATOM 0 HE2 LYS A 74 37.499 7.921 -6.562 1.00 44.20 H new ATOM 0 HE3 LYS A 74 36.308 9.088 -7.103 1.00 44.20 H new ATOM 0 HZ1 LYS A 74 38.543 9.973 -7.275 1.00 35.14 H new ATOM 0 HZ2 LYS A 74 37.652 10.866 -6.138 1.00 35.14 H new ATOM 0 HZ3 LYS A 74 38.806 9.735 -5.614 1.00 35.14 H new ATOM 1146 N LYS A 75 35.602 4.782 -1.254 1.00 10.01 N ATOM 1147 CA LYS A 75 35.396 4.395 0.137 1.00 65.23 C ATOM 1148 C LYS A 75 34.290 5.228 0.776 1.00 73.35 C ATOM 1149 O LYS A 75 34.399 5.643 1.930 1.00 33.42 O ATOM 1150 CB LYS A 75 36.695 4.558 0.930 1.00 12.13 C ATOM 1151 CG LYS A 75 37.660 3.397 0.763 1.00 13.13 C ATOM 1152 CD LYS A 75 38.683 3.674 -0.325 1.00 53.45 C ATOM 1153 CE LYS A 75 39.665 2.522 -0.474 1.00 52.40 C ATOM 1154 NZ LYS A 75 38.969 1.226 -0.705 1.00 53.55 N ATOM 0 H LYS A 75 35.447 4.032 -1.927 1.00 10.01 H new ATOM 0 HA LYS A 75 35.094 3.348 0.156 1.00 65.23 H new ATOM 0 HB2 LYS A 75 37.189 5.478 0.617 1.00 12.13 H new ATOM 0 HB3 LYS A 75 36.454 4.670 1.987 1.00 12.13 H new ATOM 0 HG2 LYS A 75 38.173 3.210 1.707 1.00 13.13 H new ATOM 0 HG3 LYS A 75 37.103 2.492 0.518 1.00 13.13 H new ATOM 0 HD2 LYS A 75 38.171 3.842 -1.273 1.00 53.45 H new ATOM 0 HD3 LYS A 75 39.227 4.589 -0.090 1.00 53.45 H new ATOM 0 HE2 LYS A 75 40.340 2.725 -1.306 1.00 52.40 H new ATOM 0 HE3 LYS A 75 40.279 2.450 0.424 1.00 52.40 H new ATOM 0 HZ1 LYS A 75 39.612 0.569 -1.191 1.00 53.55 H new ATOM 0 HZ2 LYS A 75 38.682 0.818 0.208 1.00 53.55 H new ATOM 0 HZ3 LYS A 75 38.126 1.385 -1.293 1.00 53.55 H new ATOM 1168 N LEU A 76 33.225 5.468 0.019 1.00 74.32 N ATOM 1169 CA LEU A 76 32.096 6.250 0.512 1.00 63.01 C ATOM 1170 C LEU A 76 30.773 5.655 0.040 1.00 45.35 C ATOM 1171 O LEU A 76 30.702 5.044 -1.026 1.00 51.44 O ATOM 1172 CB LEU A 76 32.213 7.701 0.043 1.00 54.24 C ATOM 1173 CG LEU A 76 32.900 7.917 -1.306 1.00 50.51 C ATOM 1174 CD1 LEU A 76 32.009 7.440 -2.442 1.00 70.50 C ATOM 1175 CD2 LEU A 76 33.262 9.384 -1.491 1.00 25.21 C ATOM 0 H LEU A 76 33.119 5.132 -0.938 1.00 74.32 H new ATOM 0 HA LEU A 76 32.115 6.224 1.602 1.00 63.01 H new ATOM 0 HB2 LEU A 76 31.211 8.127 -0.010 1.00 54.24 H new ATOM 0 HB3 LEU A 76 32.759 8.264 0.800 1.00 54.24 H new ATOM 0 HG LEU A 76 33.819 7.331 -1.322 1.00 50.51 H new ATOM 0 HD11 LEU A 76 32.515 7.602 -3.394 1.00 70.50 H new ATOM 0 HD12 LEU A 76 31.800 6.377 -2.319 1.00 70.50 H new ATOM 0 HD13 LEU A 76 31.073 7.998 -2.429 1.00 70.50 H new ATOM 0 HD21 LEU A 76 33.750 9.519 -2.456 1.00 25.21 H new ATOM 0 HD22 LEU A 76 32.357 9.990 -1.454 1.00 25.21 H new ATOM 0 HD23 LEU A 76 33.939 9.695 -0.695 1.00 25.21 H new ATOM 1187 N MET A 77 29.728 5.840 0.839 1.00 3.43 N ATOM 1188 CA MET A 77 28.407 5.325 0.501 1.00 72.02 C ATOM 1189 C MET A 77 27.315 6.292 0.947 1.00 42.50 C ATOM 1190 O MET A 77 27.289 6.725 2.099 1.00 21.12 O ATOM 1191 CB MET A 77 28.188 3.957 1.149 1.00 21.33 C ATOM 1192 CG MET A 77 26.807 3.376 0.891 1.00 24.51 C ATOM 1193 SD MET A 77 26.013 2.777 2.395 1.00 24.12 S ATOM 1194 CE MET A 77 27.375 1.914 3.176 1.00 12.25 C ATOM 0 H MET A 77 29.770 6.343 1.725 1.00 3.43 H new ATOM 0 HA MET A 77 28.353 5.219 -0.582 1.00 72.02 H new ATOM 0 HB2 MET A 77 28.941 3.263 0.776 1.00 21.33 H new ATOM 0 HB3 MET A 77 28.341 4.045 2.225 1.00 21.33 H new ATOM 0 HG2 MET A 77 26.177 4.137 0.431 1.00 24.51 H new ATOM 0 HG3 MET A 77 26.890 2.556 0.177 1.00 24.51 H new ATOM 0 HE1 MET A 77 26.984 1.169 3.869 1.00 12.25 H new ATOM 0 HE2 MET A 77 27.978 1.420 2.414 1.00 12.25 H new ATOM 0 HE3 MET A 77 27.993 2.627 3.721 1.00 12.25 H new ATOM 1204 N SER A 78 26.416 6.628 0.027 1.00 1.34 N ATOM 1205 CA SER A 78 25.325 7.548 0.326 1.00 54.14 C ATOM 1206 C SER A 78 23.974 6.899 0.040 1.00 52.01 C ATOM 1207 O SER A 78 23.796 6.230 -0.978 1.00 41.55 O ATOM 1208 CB SER A 78 25.471 8.830 -0.496 1.00 41.22 C ATOM 1209 OG SER A 78 26.768 9.384 -0.351 1.00 74.42 O ATOM 0 H SER A 78 26.422 6.277 -0.931 1.00 1.34 H new ATOM 0 HA SER A 78 25.373 7.797 1.386 1.00 54.14 H new ATOM 0 HB2 SER A 78 25.279 8.615 -1.547 1.00 41.22 H new ATOM 0 HB3 SER A 78 24.724 9.557 -0.178 1.00 41.22 H new ATOM 0 HG SER A 78 26.836 10.201 -0.887 1.00 74.42 H new ATOM 1215 N VAL A 79 23.023 7.101 0.947 1.00 5.21 N ATOM 1216 CA VAL A 79 21.688 6.537 0.794 1.00 53.33 C ATOM 1217 C VAL A 79 20.637 7.636 0.685 1.00 15.21 C ATOM 1218 O VAL A 79 20.470 8.442 1.600 1.00 15.32 O ATOM 1219 CB VAL A 79 21.329 5.614 1.973 1.00 3.13 C ATOM 1220 CG1 VAL A 79 19.965 4.977 1.758 1.00 40.03 C ATOM 1221 CG2 VAL A 79 22.400 4.550 2.161 1.00 61.11 C ATOM 0 H VAL A 79 23.153 7.652 1.796 1.00 5.21 H new ATOM 0 HA VAL A 79 21.695 5.952 -0.126 1.00 53.33 H new ATOM 0 HB VAL A 79 21.282 6.215 2.881 1.00 3.13 H new ATOM 0 HG11 VAL A 79 19.729 4.328 2.602 1.00 40.03 H new ATOM 0 HG12 VAL A 79 19.208 5.757 1.677 1.00 40.03 H new ATOM 0 HG13 VAL A 79 19.979 4.388 0.841 1.00 40.03 H new ATOM 0 HG21 VAL A 79 22.130 3.906 2.998 1.00 61.11 H new ATOM 0 HG22 VAL A 79 22.481 3.951 1.254 1.00 61.11 H new ATOM 0 HG23 VAL A 79 23.357 5.029 2.365 1.00 61.11 H new ATOM 1231 N SER A 80 19.929 7.662 -0.440 1.00 63.11 N ATOM 1232 CA SER A 80 18.896 8.664 -0.670 1.00 54.25 C ATOM 1233 C SER A 80 17.526 8.008 -0.814 1.00 55.41 C ATOM 1234 O SER A 80 17.298 7.213 -1.726 1.00 54.30 O ATOM 1235 CB SER A 80 19.217 9.480 -1.924 1.00 50.11 C ATOM 1236 OG SER A 80 20.529 10.011 -1.864 1.00 65.04 O ATOM 0 H SER A 80 20.052 7.000 -1.206 1.00 63.11 H new ATOM 0 HA SER A 80 18.872 9.330 0.192 1.00 54.25 H new ATOM 0 HB2 SER A 80 19.116 8.850 -2.808 1.00 50.11 H new ATOM 0 HB3 SER A 80 18.497 10.292 -2.028 1.00 50.11 H new ATOM 0 HG SER A 80 20.711 10.527 -2.677 1.00 65.04 H new ATOM 1242 N PHE A 81 16.616 8.348 0.093 1.00 21.15 N ATOM 1243 CA PHE A 81 15.268 7.792 0.070 1.00 40.21 C ATOM 1244 C PHE A 81 14.230 8.870 0.367 1.00 40.50 C ATOM 1245 O PHE A 81 14.483 9.794 1.141 1.00 54.15 O ATOM 1246 CB PHE A 81 15.144 6.655 1.087 1.00 43.45 C ATOM 1247 CG PHE A 81 15.785 6.962 2.410 1.00 51.31 C ATOM 1248 CD1 PHE A 81 15.236 7.911 3.257 1.00 54.42 C ATOM 1249 CD2 PHE A 81 16.936 6.301 2.807 1.00 10.43 C ATOM 1250 CE1 PHE A 81 15.824 8.196 4.475 1.00 54.23 C ATOM 1251 CE2 PHE A 81 17.528 6.582 4.024 1.00 23.33 C ATOM 1252 CZ PHE A 81 16.971 7.530 4.860 1.00 74.35 C ATOM 0 H PHE A 81 16.788 9.006 0.853 1.00 21.15 H new ATOM 0 HA PHE A 81 15.082 7.398 -0.929 1.00 40.21 H new ATOM 0 HB2 PHE A 81 14.089 6.434 1.246 1.00 43.45 H new ATOM 0 HB3 PHE A 81 15.599 5.756 0.672 1.00 43.45 H new ATOM 0 HD1 PHE A 81 14.338 8.434 2.962 1.00 54.42 H new ATOM 0 HD2 PHE A 81 17.376 5.558 2.158 1.00 10.43 H new ATOM 0 HE1 PHE A 81 15.387 8.939 5.125 1.00 54.23 H new ATOM 0 HE2 PHE A 81 18.426 6.060 4.321 1.00 23.33 H new ATOM 0 HZ PHE A 81 17.431 7.750 5.812 1.00 74.35 H new ATOM 1262 N SER A 82 13.062 8.746 -0.254 1.00 75.31 N ATOM 1263 CA SER A 82 11.986 9.711 -0.061 1.00 0.25 C ATOM 1264 C SER A 82 10.780 9.055 0.605 1.00 61.11 C ATOM 1265 O SER A 82 10.569 7.848 0.482 1.00 44.25 O ATOM 1266 CB SER A 82 11.573 10.322 -1.401 1.00 3.30 C ATOM 1267 OG SER A 82 11.134 11.660 -1.238 1.00 70.41 O ATOM 0 H SER A 82 12.836 7.986 -0.896 1.00 75.31 H new ATOM 0 HA SER A 82 12.354 10.502 0.592 1.00 0.25 H new ATOM 0 HB2 SER A 82 12.415 10.294 -2.092 1.00 3.30 H new ATOM 0 HB3 SER A 82 10.776 9.726 -1.846 1.00 3.30 H new ATOM 0 HG SER A 82 10.877 12.028 -2.109 1.00 70.41 H new ATOM 1273 N ASP A 83 9.992 9.858 1.310 1.00 11.45 N ATOM 1274 CA ASP A 83 8.806 9.358 1.995 1.00 31.54 C ATOM 1275 C ASP A 83 8.986 7.897 2.397 1.00 62.24 C ATOM 1276 O ASP A 83 8.570 6.989 1.676 1.00 51.31 O ATOM 1277 CB ASP A 83 7.574 9.505 1.101 1.00 12.43 C ATOM 1278 CG ASP A 83 7.131 10.948 0.960 1.00 13.43 C ATOM 1279 OD1 ASP A 83 7.727 11.674 0.138 1.00 4.20 O ATOM 1280 OD2 ASP A 83 6.188 11.352 1.673 1.00 54.21 O ATOM 0 H ASP A 83 10.153 10.859 1.422 1.00 11.45 H new ATOM 0 HA ASP A 83 8.662 9.950 2.899 1.00 31.54 H new ATOM 0 HB2 ASP A 83 7.794 9.097 0.114 1.00 12.43 H new ATOM 0 HB3 ASP A 83 6.756 8.915 1.515 1.00 12.43 H new ATOM 1285 N ILE A 84 9.610 7.678 3.549 1.00 32.22 N ATOM 1286 CA ILE A 84 9.845 6.328 4.045 1.00 30.44 C ATOM 1287 C ILE A 84 9.433 6.200 5.508 1.00 22.01 C ATOM 1288 O ILE A 84 9.387 7.189 6.239 1.00 12.42 O ATOM 1289 CB ILE A 84 11.325 5.925 3.903 1.00 11.55 C ATOM 1290 CG1 ILE A 84 12.196 6.763 4.842 1.00 51.42 C ATOM 1291 CG2 ILE A 84 11.782 6.088 2.462 1.00 71.15 C ATOM 1292 CD1 ILE A 84 13.291 5.970 5.520 1.00 73.43 C ATOM 0 H ILE A 84 9.962 8.418 4.156 1.00 32.22 H new ATOM 0 HA ILE A 84 9.235 5.659 3.438 1.00 30.44 H new ATOM 0 HB ILE A 84 11.429 4.876 4.180 1.00 11.55 H new ATOM 0 HG12 ILE A 84 12.646 7.578 4.276 1.00 51.42 H new ATOM 0 HG13 ILE A 84 11.562 7.217 5.604 1.00 51.42 H new ATOM 0 HG21 ILE A 84 12.830 5.799 2.378 1.00 71.15 H new ATOM 0 HG22 ILE A 84 11.177 5.453 1.815 1.00 71.15 H new ATOM 0 HG23 ILE A 84 11.667 7.129 2.159 1.00 71.15 H new ATOM 0 HD11 ILE A 84 13.868 6.628 6.170 1.00 73.43 H new ATOM 0 HD12 ILE A 84 12.847 5.171 6.114 1.00 73.43 H new ATOM 0 HD13 ILE A 84 13.948 5.538 4.765 1.00 73.43 H new ATOM 1304 N ASP A 85 9.137 4.975 5.929 1.00 53.33 N ATOM 1305 CA ASP A 85 8.732 4.717 7.306 1.00 75.25 C ATOM 1306 C ASP A 85 9.927 4.296 8.154 1.00 63.51 C ATOM 1307 O ASP A 85 10.964 3.895 7.626 1.00 60.01 O ATOM 1308 CB ASP A 85 7.653 3.633 7.347 1.00 24.25 C ATOM 1309 CG ASP A 85 6.306 4.137 6.868 1.00 65.11 C ATOM 1310 OD1 ASP A 85 5.839 5.171 7.390 1.00 4.10 O ATOM 1311 OD2 ASP A 85 5.720 3.498 5.970 1.00 73.11 O ATOM 0 H ASP A 85 9.170 4.145 5.337 1.00 53.33 H new ATOM 0 HA ASP A 85 8.325 5.640 7.719 1.00 75.25 H new ATOM 0 HB2 ASP A 85 7.964 2.792 6.728 1.00 24.25 H new ATOM 0 HB3 ASP A 85 7.556 3.260 8.366 1.00 24.25 H new ATOM 1316 N GLU A 86 9.775 4.390 9.471 1.00 13.32 N ATOM 1317 CA GLU A 86 10.843 4.021 10.392 1.00 64.52 C ATOM 1318 C GLU A 86 11.133 2.524 10.316 1.00 10.24 C ATOM 1319 O GLU A 86 12.244 2.081 10.605 1.00 52.12 O ATOM 1320 CB GLU A 86 10.469 4.407 11.824 1.00 3.32 C ATOM 1321 CG GLU A 86 9.172 3.779 12.305 1.00 25.44 C ATOM 1322 CD GLU A 86 8.651 4.418 13.577 1.00 11.35 C ATOM 1323 OE1 GLU A 86 9.433 4.544 14.543 1.00 73.40 O ATOM 1324 OE2 GLU A 86 7.460 4.794 13.607 1.00 61.13 O ATOM 0 H GLU A 86 8.922 4.719 9.924 1.00 13.32 H new ATOM 0 HA GLU A 86 11.742 4.564 10.101 1.00 64.52 H new ATOM 0 HB2 GLU A 86 11.276 4.111 12.494 1.00 3.32 H new ATOM 0 HB3 GLU A 86 10.383 5.492 11.888 1.00 3.32 H new ATOM 0 HG2 GLU A 86 8.418 3.868 11.523 1.00 25.44 H new ATOM 0 HG3 GLU A 86 9.330 2.714 12.476 1.00 25.44 H new ATOM 1331 N ASN A 87 10.124 1.751 9.927 1.00 4.11 N ATOM 1332 CA ASN A 87 10.269 0.304 9.815 1.00 45.33 C ATOM 1333 C ASN A 87 11.351 -0.057 8.801 1.00 52.22 C ATOM 1334 O ASN A 87 12.254 -0.840 9.094 1.00 53.03 O ATOM 1335 CB ASN A 87 8.939 -0.332 9.407 1.00 23.42 C ATOM 1336 CG ASN A 87 7.910 -0.283 10.519 1.00 13.34 C ATOM 1337 OD1 ASN A 87 8.242 -0.430 11.695 1.00 24.25 O ATOM 1338 ND2 ASN A 87 6.651 -0.074 10.151 1.00 31.23 N ATOM 0 H ASN A 87 9.198 2.102 9.684 1.00 4.11 H new ATOM 0 HA ASN A 87 10.566 -0.084 10.790 1.00 45.33 H new ATOM 0 HB2 ASN A 87 8.547 0.183 8.530 1.00 23.42 H new ATOM 0 HB3 ASN A 87 9.109 -1.369 9.118 1.00 23.42 H new ATOM 0 HD21 ASN A 87 5.914 -0.030 10.855 1.00 31.23 H new ATOM 0 HD22 ASN A 87 6.421 0.043 9.164 1.00 31.23 H new ATOM 1345 N MET A 88 11.252 0.520 7.608 1.00 50.33 N ATOM 1346 CA MET A 88 12.223 0.261 6.551 1.00 73.41 C ATOM 1347 C MET A 88 13.520 1.021 6.806 1.00 42.24 C ATOM 1348 O MET A 88 14.612 0.503 6.571 1.00 41.13 O ATOM 1349 CB MET A 88 11.645 0.655 5.190 1.00 2.43 C ATOM 1350 CG MET A 88 11.312 2.134 5.077 1.00 4.33 C ATOM 1351 SD MET A 88 10.311 2.512 3.626 1.00 3.11 S ATOM 1352 CE MET A 88 11.017 1.386 2.425 1.00 31.34 C ATOM 0 H MET A 88 10.510 1.170 7.349 1.00 50.33 H new ATOM 0 HA MET A 88 12.444 -0.806 6.548 1.00 73.41 H new ATOM 0 HB2 MET A 88 12.360 0.391 4.411 1.00 2.43 H new ATOM 0 HB3 MET A 88 10.742 0.072 5.005 1.00 2.43 H new ATOM 0 HG2 MET A 88 10.780 2.452 5.974 1.00 4.33 H new ATOM 0 HG3 MET A 88 12.237 2.709 5.035 1.00 4.33 H new ATOM 0 HE1 MET A 88 10.773 1.727 1.419 1.00 31.34 H new ATOM 0 HE2 MET A 88 12.100 1.358 2.546 1.00 31.34 H new ATOM 0 HE3 MET A 88 10.609 0.387 2.579 1.00 31.34 H new ATOM 1362 N LYS A 89 13.394 2.253 7.287 1.00 11.11 N ATOM 1363 CA LYS A 89 14.556 3.085 7.575 1.00 51.50 C ATOM 1364 C LYS A 89 15.564 2.333 8.437 1.00 22.21 C ATOM 1365 O LYS A 89 16.775 2.475 8.263 1.00 54.23 O ATOM 1366 CB LYS A 89 14.125 4.372 8.282 1.00 55.41 C ATOM 1367 CG LYS A 89 15.177 5.467 8.247 1.00 14.42 C ATOM 1368 CD LYS A 89 14.637 6.777 8.797 1.00 32.03 C ATOM 1369 CE LYS A 89 14.913 6.912 10.287 1.00 61.21 C ATOM 1370 NZ LYS A 89 14.079 7.975 10.912 1.00 54.12 N ATOM 0 H LYS A 89 12.498 2.698 7.486 1.00 11.11 H new ATOM 0 HA LYS A 89 15.032 3.339 6.628 1.00 51.50 H new ATOM 0 HB2 LYS A 89 13.211 4.743 7.818 1.00 55.41 H new ATOM 0 HB3 LYS A 89 13.885 4.143 9.320 1.00 55.41 H new ATOM 0 HG2 LYS A 89 16.045 5.157 8.829 1.00 14.42 H new ATOM 0 HG3 LYS A 89 15.516 5.614 7.222 1.00 14.42 H new ATOM 0 HD2 LYS A 89 15.093 7.612 8.264 1.00 32.03 H new ATOM 0 HD3 LYS A 89 13.563 6.833 8.618 1.00 32.03 H new ATOM 0 HE2 LYS A 89 14.717 5.960 10.780 1.00 61.21 H new ATOM 0 HE3 LYS A 89 15.968 7.140 10.442 1.00 61.21 H new ATOM 0 HZ1 LYS A 89 14.297 8.035 11.927 1.00 54.12 H new ATOM 0 HZ2 LYS A 89 14.284 8.888 10.459 1.00 54.12 H new ATOM 0 HZ3 LYS A 89 13.072 7.745 10.787 1.00 54.12 H new ATOM 1384 N LYS A 90 15.058 1.530 9.367 1.00 11.11 N ATOM 1385 CA LYS A 90 15.914 0.752 10.255 1.00 15.12 C ATOM 1386 C LYS A 90 16.841 -0.159 9.457 1.00 12.11 C ATOM 1387 O LYS A 90 18.029 -0.269 9.758 1.00 44.20 O ATOM 1388 CB LYS A 90 15.062 -0.083 11.214 1.00 24.05 C ATOM 1389 CG LYS A 90 15.630 -0.160 12.621 1.00 21.22 C ATOM 1390 CD LYS A 90 16.757 -1.175 12.713 1.00 45.23 C ATOM 1391 CE LYS A 90 17.463 -1.104 14.058 1.00 31.44 C ATOM 1392 NZ LYS A 90 18.565 -0.103 14.055 1.00 1.11 N ATOM 0 H LYS A 90 14.059 1.401 9.525 1.00 11.11 H new ATOM 0 HA LYS A 90 16.525 1.447 10.831 1.00 15.12 H new ATOM 0 HB2 LYS A 90 14.059 0.341 11.259 1.00 24.05 H new ATOM 0 HB3 LYS A 90 14.964 -1.093 10.815 1.00 24.05 H new ATOM 0 HG2 LYS A 90 15.998 0.822 12.920 1.00 21.22 H new ATOM 0 HG3 LYS A 90 14.838 -0.430 13.320 1.00 21.22 H new ATOM 0 HD2 LYS A 90 16.358 -2.178 12.563 1.00 45.23 H new ATOM 0 HD3 LYS A 90 17.476 -0.995 11.914 1.00 45.23 H new ATOM 0 HE2 LYS A 90 16.741 -0.847 14.834 1.00 31.44 H new ATOM 0 HE3 LYS A 90 17.865 -2.086 14.309 1.00 31.44 H new ATOM 0 HZ1 LYS A 90 19.021 -0.085 14.990 1.00 1.11 H new ATOM 0 HZ2 LYS A 90 19.267 -0.362 13.332 1.00 1.11 H new ATOM 0 HZ3 LYS A 90 18.178 0.838 13.841 1.00 1.11 H new ATOM 1406 N VAL A 91 16.290 -0.810 8.437 1.00 11.52 N ATOM 1407 CA VAL A 91 17.068 -1.709 7.594 1.00 4.10 C ATOM 1408 C VAL A 91 18.082 -0.937 6.757 1.00 70.35 C ATOM 1409 O VAL A 91 19.195 -1.408 6.522 1.00 62.41 O ATOM 1410 CB VAL A 91 16.160 -2.526 6.656 1.00 31.03 C ATOM 1411 CG1 VAL A 91 14.776 -2.692 7.265 1.00 73.04 C ATOM 1412 CG2 VAL A 91 16.075 -1.865 5.289 1.00 75.23 C ATOM 0 H VAL A 91 15.307 -0.731 8.175 1.00 11.52 H new ATOM 0 HA VAL A 91 17.595 -2.391 8.261 1.00 4.10 H new ATOM 0 HB VAL A 91 16.595 -3.517 6.528 1.00 31.03 H new ATOM 0 HG11 VAL A 91 14.148 -3.272 6.589 1.00 73.04 H new ATOM 0 HG12 VAL A 91 14.858 -3.212 8.219 1.00 73.04 H new ATOM 0 HG13 VAL A 91 14.329 -1.711 7.424 1.00 73.04 H new ATOM 0 HG21 VAL A 91 15.429 -2.455 4.639 1.00 75.23 H new ATOM 0 HG22 VAL A 91 15.663 -0.861 5.395 1.00 75.23 H new ATOM 0 HG23 VAL A 91 17.072 -1.804 4.852 1.00 75.23 H new ATOM 1422 N ILE A 92 17.689 0.251 6.309 1.00 64.51 N ATOM 1423 CA ILE A 92 18.565 1.088 5.499 1.00 53.43 C ATOM 1424 C ILE A 92 19.780 1.547 6.297 1.00 1.33 C ATOM 1425 O ILE A 92 20.913 1.481 5.819 1.00 54.53 O ATOM 1426 CB ILE A 92 17.821 2.325 4.961 1.00 12.22 C ATOM 1427 CG1 ILE A 92 16.451 1.924 4.410 1.00 31.12 C ATOM 1428 CG2 ILE A 92 18.648 3.016 3.887 1.00 22.33 C ATOM 1429 CD1 ILE A 92 15.757 3.032 3.650 1.00 0.42 C ATOM 0 H ILE A 92 16.771 0.655 6.493 1.00 64.51 H new ATOM 0 HA ILE A 92 18.895 0.478 4.658 1.00 53.43 H new ATOM 0 HB ILE A 92 17.671 3.025 5.783 1.00 12.22 H new ATOM 0 HG12 ILE A 92 16.571 1.063 3.752 1.00 31.12 H new ATOM 0 HG13 ILE A 92 15.815 1.607 5.236 1.00 31.12 H new ATOM 0 HG21 ILE A 92 18.109 3.888 3.517 1.00 22.33 H new ATOM 0 HG22 ILE A 92 19.602 3.332 4.309 1.00 22.33 H new ATOM 0 HG23 ILE A 92 18.827 2.324 3.064 1.00 22.33 H new ATOM 0 HD11 ILE A 92 14.792 2.676 3.289 1.00 0.42 H new ATOM 0 HD12 ILE A 92 15.605 3.886 4.310 1.00 0.42 H new ATOM 0 HD13 ILE A 92 16.373 3.333 2.803 1.00 0.42 H new ATOM 1441 N LYS A 93 19.538 2.011 7.519 1.00 52.24 N ATOM 1442 CA LYS A 93 20.612 2.479 8.387 1.00 72.40 C ATOM 1443 C LYS A 93 21.543 1.332 8.766 1.00 63.20 C ATOM 1444 O LYS A 93 22.765 1.478 8.741 1.00 31.10 O ATOM 1445 CB LYS A 93 20.032 3.118 9.651 1.00 71.32 C ATOM 1446 CG LYS A 93 21.076 3.784 10.530 1.00 63.14 C ATOM 1447 CD LYS A 93 21.546 5.102 9.936 1.00 20.43 C ATOM 1448 CE LYS A 93 20.705 6.268 10.433 1.00 25.33 C ATOM 1449 NZ LYS A 93 21.481 7.539 10.461 1.00 62.50 N ATOM 0 H LYS A 93 18.607 2.073 7.930 1.00 52.24 H new ATOM 0 HA LYS A 93 21.188 3.226 7.841 1.00 72.40 H new ATOM 0 HB2 LYS A 93 19.285 3.858 9.364 1.00 71.32 H new ATOM 0 HB3 LYS A 93 19.516 2.353 10.231 1.00 71.32 H new ATOM 0 HG2 LYS A 93 20.660 3.959 11.522 1.00 63.14 H new ATOM 0 HG3 LYS A 93 21.928 3.116 10.655 1.00 63.14 H new ATOM 0 HD2 LYS A 93 22.591 5.268 10.197 1.00 20.43 H new ATOM 0 HD3 LYS A 93 21.494 5.052 8.848 1.00 20.43 H new ATOM 0 HE2 LYS A 93 19.834 6.388 9.789 1.00 25.33 H new ATOM 0 HE3 LYS A 93 20.333 6.047 11.434 1.00 25.33 H new ATOM 0 HZ1 LYS A 93 20.873 8.309 10.805 1.00 62.50 H new ATOM 0 HZ2 LYS A 93 22.298 7.433 11.095 1.00 62.50 H new ATOM 0 HZ3 LYS A 93 21.814 7.763 9.502 1.00 62.50 H new ATOM 1463 N ALA A 94 20.958 0.191 9.115 1.00 30.22 N ATOM 1464 CA ALA A 94 21.736 -0.982 9.496 1.00 50.44 C ATOM 1465 C ALA A 94 22.592 -1.473 8.333 1.00 4.15 C ATOM 1466 O ALA A 94 23.731 -1.902 8.525 1.00 74.51 O ATOM 1467 CB ALA A 94 20.815 -2.091 9.981 1.00 21.22 C ATOM 0 H ALA A 94 19.948 0.054 9.142 1.00 30.22 H new ATOM 0 HA ALA A 94 22.403 -0.697 10.310 1.00 50.44 H new ATOM 0 HB1 ALA A 94 21.409 -2.961 10.262 1.00 21.22 H new ATOM 0 HB2 ALA A 94 20.250 -1.743 10.846 1.00 21.22 H new ATOM 0 HB3 ALA A 94 20.125 -2.366 9.183 1.00 21.22 H new ATOM 1473 N THR A 95 22.038 -1.408 7.127 1.00 41.12 N ATOM 1474 CA THR A 95 22.750 -1.848 5.934 1.00 43.12 C ATOM 1475 C THR A 95 23.929 -0.931 5.627 1.00 15.53 C ATOM 1476 O THR A 95 25.027 -1.396 5.326 1.00 42.53 O ATOM 1477 CB THR A 95 21.818 -1.895 4.708 1.00 3.43 C ATOM 1478 OG1 THR A 95 20.839 -2.926 4.876 1.00 24.14 O ATOM 1479 CG2 THR A 95 22.611 -2.144 3.434 1.00 5.24 C ATOM 0 H THR A 95 21.098 -1.055 6.950 1.00 41.12 H new ATOM 0 HA THR A 95 23.119 -2.853 6.139 1.00 43.12 H new ATOM 0 HB THR A 95 21.318 -0.930 4.623 1.00 3.43 H new ATOM 0 HG1 THR A 95 21.289 -3.787 5.003 1.00 24.14 H new ATOM 0 HG21 THR A 95 21.931 -2.173 2.582 1.00 5.24 H new ATOM 0 HG22 THR A 95 23.335 -1.341 3.293 1.00 5.24 H new ATOM 0 HG23 THR A 95 23.136 -3.096 3.512 1.00 5.24 H new ATOM 1487 N ALA A 96 23.693 0.375 5.707 1.00 35.12 N ATOM 1488 CA ALA A 96 24.736 1.357 5.441 1.00 53.52 C ATOM 1489 C ALA A 96 25.825 1.305 6.507 1.00 73.30 C ATOM 1490 O ALA A 96 27.013 1.260 6.191 1.00 60.31 O ATOM 1491 CB ALA A 96 24.138 2.754 5.363 1.00 14.42 C ATOM 0 H ALA A 96 22.789 0.777 5.954 1.00 35.12 H new ATOM 0 HA ALA A 96 25.192 1.114 4.481 1.00 53.52 H new ATOM 0 HB1 ALA A 96 24.929 3.478 5.164 1.00 14.42 H new ATOM 0 HB2 ALA A 96 23.402 2.790 4.560 1.00 14.42 H new ATOM 0 HB3 ALA A 96 23.655 2.996 6.309 1.00 14.42 H new ATOM 1497 N GLU A 97 25.411 1.311 7.770 1.00 13.42 N ATOM 1498 CA GLU A 97 26.353 1.266 8.882 1.00 33.24 C ATOM 1499 C GLU A 97 27.141 -0.041 8.874 1.00 0.34 C ATOM 1500 O GLU A 97 28.304 -0.080 9.277 1.00 31.30 O ATOM 1501 CB GLU A 97 25.613 1.420 10.213 1.00 71.21 C ATOM 1502 CG GLU A 97 25.005 0.125 10.725 1.00 74.15 C ATOM 1503 CD GLU A 97 25.982 -0.695 11.545 1.00 53.40 C ATOM 1504 OE1 GLU A 97 26.800 -0.092 12.270 1.00 43.41 O ATOM 1505 OE2 GLU A 97 25.927 -1.940 11.462 1.00 41.52 O ATOM 0 H GLU A 97 24.430 1.347 8.049 1.00 13.42 H new ATOM 0 HA GLU A 97 27.053 2.093 8.766 1.00 33.24 H new ATOM 0 HB2 GLU A 97 26.305 1.807 10.961 1.00 71.21 H new ATOM 0 HB3 GLU A 97 24.822 2.161 10.096 1.00 71.21 H new ATOM 0 HG2 GLU A 97 24.130 0.354 11.333 1.00 74.15 H new ATOM 0 HG3 GLU A 97 24.659 -0.469 9.879 1.00 74.15 H new ATOM 1512 N LYS A 98 26.499 -1.109 8.414 1.00 64.13 N ATOM 1513 CA LYS A 98 27.138 -2.418 8.352 1.00 65.23 C ATOM 1514 C LYS A 98 28.418 -2.360 7.524 1.00 24.31 C ATOM 1515 O LYS A 98 29.421 -2.987 7.868 1.00 11.11 O ATOM 1516 CB LYS A 98 26.178 -3.449 7.754 1.00 24.41 C ATOM 1517 CG LYS A 98 25.535 -4.354 8.791 1.00 63.21 C ATOM 1518 CD LYS A 98 26.028 -5.786 8.664 1.00 5.24 C ATOM 1519 CE LYS A 98 25.366 -6.696 9.687 1.00 11.02 C ATOM 1520 NZ LYS A 98 26.053 -8.014 9.784 1.00 13.33 N ATOM 0 H LYS A 98 25.536 -1.094 8.078 1.00 64.13 H new ATOM 0 HA LYS A 98 27.396 -2.717 9.368 1.00 65.23 H new ATOM 0 HB2 LYS A 98 25.395 -2.928 7.203 1.00 24.41 H new ATOM 0 HB3 LYS A 98 26.719 -4.063 7.034 1.00 24.41 H new ATOM 0 HG2 LYS A 98 25.757 -3.979 9.790 1.00 63.21 H new ATOM 0 HG3 LYS A 98 24.451 -4.330 8.675 1.00 63.21 H new ATOM 0 HD2 LYS A 98 25.822 -6.155 7.659 1.00 5.24 H new ATOM 0 HD3 LYS A 98 27.109 -5.813 8.797 1.00 5.24 H new ATOM 0 HE2 LYS A 98 25.372 -6.210 10.663 1.00 11.02 H new ATOM 0 HE3 LYS A 98 24.322 -6.850 9.414 1.00 11.02 H new ATOM 0 HZ1 LYS A 98 25.572 -8.605 10.492 1.00 13.33 H new ATOM 0 HZ2 LYS A 98 26.025 -8.489 8.859 1.00 13.33 H new ATOM 0 HZ3 LYS A 98 27.043 -7.869 10.069 1.00 13.33 H new ATOM 1534 N PHE A 99 28.378 -1.603 6.433 1.00 61.34 N ATOM 1535 CA PHE A 99 29.535 -1.463 5.556 1.00 23.23 C ATOM 1536 C PHE A 99 30.687 -0.774 6.282 1.00 12.40 C ATOM 1537 O PHE A 99 31.857 -1.056 6.024 1.00 40.14 O ATOM 1538 CB PHE A 99 29.159 -0.670 4.303 1.00 4.20 C ATOM 1539 CG PHE A 99 28.629 -1.526 3.189 1.00 54.44 C ATOM 1540 CD1 PHE A 99 29.423 -2.501 2.608 1.00 61.01 C ATOM 1541 CD2 PHE A 99 27.335 -1.355 2.722 1.00 22.02 C ATOM 1542 CE1 PHE A 99 28.937 -3.289 1.582 1.00 63.23 C ATOM 1543 CE2 PHE A 99 26.844 -2.141 1.697 1.00 53.44 C ATOM 1544 CZ PHE A 99 27.646 -3.110 1.126 1.00 14.44 C ATOM 0 H PHE A 99 27.557 -1.077 6.135 1.00 61.34 H new ATOM 0 HA PHE A 99 29.860 -2.461 5.261 1.00 23.23 H new ATOM 0 HB2 PHE A 99 28.409 0.076 4.566 1.00 4.20 H new ATOM 0 HB3 PHE A 99 30.036 -0.128 3.949 1.00 4.20 H new ATOM 0 HD1 PHE A 99 30.433 -2.647 2.961 1.00 61.01 H new ATOM 0 HD2 PHE A 99 26.703 -0.599 3.164 1.00 22.02 H new ATOM 0 HE1 PHE A 99 29.567 -4.045 1.137 1.00 63.23 H new ATOM 0 HE2 PHE A 99 25.834 -1.998 1.343 1.00 53.44 H new ATOM 0 HZ PHE A 99 27.264 -3.726 0.325 1.00 14.44 H new ATOM 1554 N LYS A 100 30.347 0.133 7.192 1.00 55.02 N ATOM 1555 CA LYS A 100 31.350 0.864 7.957 1.00 73.12 C ATOM 1556 C LYS A 100 32.208 -0.091 8.780 1.00 3.11 C ATOM 1557 O LYS A 100 33.368 0.197 9.071 1.00 24.11 O ATOM 1558 CB LYS A 100 30.676 1.883 8.878 1.00 54.42 C ATOM 1559 CG LYS A 100 31.602 2.997 9.334 1.00 25.24 C ATOM 1560 CD LYS A 100 31.647 3.099 10.850 1.00 53.22 C ATOM 1561 CE LYS A 100 32.361 1.907 11.468 1.00 2.34 C ATOM 1562 NZ LYS A 100 32.694 2.143 12.901 1.00 64.54 N ATOM 0 H LYS A 100 29.383 0.379 7.418 1.00 55.02 H new ATOM 0 HA LYS A 100 31.995 1.390 7.254 1.00 73.12 H new ATOM 0 HB2 LYS A 100 29.823 2.321 8.359 1.00 54.42 H new ATOM 0 HB3 LYS A 100 30.285 1.366 9.754 1.00 54.42 H new ATOM 0 HG2 LYS A 100 32.606 2.817 8.951 1.00 25.24 H new ATOM 0 HG3 LYS A 100 31.266 3.945 8.914 1.00 25.24 H new ATOM 0 HD2 LYS A 100 32.156 4.019 11.139 1.00 53.22 H new ATOM 0 HD3 LYS A 100 30.632 3.160 11.242 1.00 53.22 H new ATOM 0 HE2 LYS A 100 31.731 1.022 11.382 1.00 2.34 H new ATOM 0 HE3 LYS A 100 33.276 1.703 10.911 1.00 2.34 H new ATOM 0 HZ1 LYS A 100 33.180 1.308 13.287 1.00 64.54 H new ATOM 0 HZ2 LYS A 100 33.316 2.973 12.981 1.00 64.54 H new ATOM 0 HZ3 LYS A 100 31.819 2.313 13.437 1.00 64.54 H new ATOM 1576 N ASN A 101 31.630 -1.229 9.151 1.00 4.11 N ATOM 1577 CA ASN A 101 32.344 -2.227 9.940 1.00 13.42 C ATOM 1578 C ASN A 101 33.553 -2.760 9.178 1.00 2.42 C ATOM 1579 O ASN A 101 34.449 -3.370 9.762 1.00 43.13 O ATOM 1580 CB ASN A 101 31.409 -3.381 10.307 1.00 53.21 C ATOM 1581 CG ASN A 101 30.162 -2.908 11.030 1.00 42.13 C ATOM 1582 OD1 ASN A 101 30.161 -1.852 11.663 1.00 25.33 O ATOM 1583 ND2 ASN A 101 29.093 -3.690 10.938 1.00 53.43 N ATOM 0 H ASN A 101 30.670 -1.483 8.918 1.00 4.11 H new ATOM 0 HA ASN A 101 32.695 -1.748 10.854 1.00 13.42 H new ATOM 0 HB2 ASN A 101 31.120 -3.913 9.401 1.00 53.21 H new ATOM 0 HB3 ASN A 101 31.944 -4.092 10.937 1.00 53.21 H new ATOM 0 HD21 ASN A 101 28.225 -3.424 11.403 1.00 53.43 H new ATOM 0 HD22 ASN A 101 29.140 -4.557 10.402 1.00 53.43 H new ATOM 1590 N LYS A 102 33.572 -2.524 7.871 1.00 65.43 N ATOM 1591 CA LYS A 102 34.672 -2.978 7.027 1.00 32.12 C ATOM 1592 C LYS A 102 35.558 -1.808 6.612 1.00 72.01 C ATOM 1593 O LYS A 102 36.450 -1.958 5.778 1.00 11.31 O ATOM 1594 CB LYS A 102 34.129 -3.687 5.784 1.00 22.02 C ATOM 1595 CG LYS A 102 35.101 -4.687 5.182 1.00 74.23 C ATOM 1596 CD LYS A 102 34.896 -4.830 3.683 1.00 42.53 C ATOM 1597 CE LYS A 102 35.608 -3.725 2.916 1.00 75.42 C ATOM 1598 NZ LYS A 102 35.222 -3.712 1.477 1.00 0.05 N ATOM 0 H LYS A 102 32.838 -2.021 7.372 1.00 65.43 H new ATOM 0 HA LYS A 102 35.274 -3.680 7.604 1.00 32.12 H new ATOM 0 HB2 LYS A 102 33.205 -4.203 6.045 1.00 22.02 H new ATOM 0 HB3 LYS A 102 33.876 -2.940 5.031 1.00 22.02 H new ATOM 0 HG2 LYS A 102 36.124 -4.367 5.382 1.00 74.23 H new ATOM 0 HG3 LYS A 102 34.971 -5.657 5.662 1.00 74.23 H new ATOM 0 HD2 LYS A 102 35.268 -5.801 3.355 1.00 42.53 H new ATOM 0 HD3 LYS A 102 33.830 -4.804 3.456 1.00 42.53 H new ATOM 0 HE2 LYS A 102 35.371 -2.760 3.365 1.00 75.42 H new ATOM 0 HE3 LYS A 102 36.686 -3.860 3.002 1.00 75.42 H new ATOM 0 HZ1 LYS A 102 36.016 -4.058 0.901 1.00 0.05 H new ATOM 0 HZ2 LYS A 102 34.396 -4.328 1.334 1.00 0.05 H new ATOM 0 HZ3 LYS A 102 34.984 -2.741 1.190 1.00 0.05 H new ATOM 1612 N GLY A 103 35.306 -0.643 7.201 1.00 42.43 N ATOM 1613 CA GLY A 103 36.091 0.535 6.880 1.00 54.44 C ATOM 1614 C GLY A 103 35.514 1.316 5.715 1.00 2.01 C ATOM 1615 O GLY A 103 36.166 1.478 4.683 1.00 3.15 O ATOM 0 H GLY A 103 34.573 -0.494 7.894 1.00 42.43 H new ATOM 0 HA2 GLY A 103 36.145 1.182 7.756 1.00 54.44 H new ATOM 0 HA3 GLY A 103 37.111 0.234 6.642 1.00 54.44 H new ATOM 1619 N PHE A 104 34.287 1.800 5.879 1.00 64.03 N ATOM 1620 CA PHE A 104 33.622 2.566 4.831 1.00 33.32 C ATOM 1621 C PHE A 104 32.867 3.753 5.422 1.00 40.22 C ATOM 1622 O PHE A 104 32.508 3.752 6.599 1.00 12.24 O ATOM 1623 CB PHE A 104 32.657 1.671 4.051 1.00 72.22 C ATOM 1624 CG PHE A 104 33.262 1.073 2.813 1.00 71.01 C ATOM 1625 CD1 PHE A 104 34.300 0.160 2.905 1.00 70.22 C ATOM 1626 CD2 PHE A 104 32.792 1.424 1.557 1.00 25.24 C ATOM 1627 CE1 PHE A 104 34.859 -0.391 1.767 1.00 30.12 C ATOM 1628 CE2 PHE A 104 33.347 0.876 0.416 1.00 23.21 C ATOM 1629 CZ PHE A 104 34.381 -0.034 0.521 1.00 3.44 C ATOM 0 H PHE A 104 33.734 1.676 6.727 1.00 64.03 H new ATOM 0 HA PHE A 104 34.385 2.945 4.151 1.00 33.32 H new ATOM 0 HB2 PHE A 104 32.313 0.867 4.702 1.00 72.22 H new ATOM 0 HB3 PHE A 104 31.779 2.253 3.772 1.00 72.22 H new ATOM 0 HD1 PHE A 104 34.677 -0.124 3.876 1.00 70.22 H new ATOM 0 HD2 PHE A 104 31.983 2.134 1.469 1.00 25.24 H new ATOM 0 HE1 PHE A 104 35.669 -1.100 1.852 1.00 30.12 H new ATOM 0 HE2 PHE A 104 32.973 1.159 -0.557 1.00 23.21 H new ATOM 0 HZ PHE A 104 34.815 -0.465 -0.369 1.00 3.44 H new ATOM 1639 N LYS A 105 32.630 4.766 4.595 1.00 3.22 N ATOM 1640 CA LYS A 105 31.918 5.961 5.033 1.00 61.12 C ATOM 1641 C LYS A 105 30.433 5.863 4.697 1.00 23.33 C ATOM 1642 O LYS A 105 30.061 5.474 3.590 1.00 22.11 O ATOM 1643 CB LYS A 105 32.519 7.206 4.377 1.00 14.52 C ATOM 1644 CG LYS A 105 31.682 8.459 4.571 1.00 51.21 C ATOM 1645 CD LYS A 105 31.564 8.829 6.040 1.00 52.31 C ATOM 1646 CE LYS A 105 32.882 9.350 6.591 1.00 2.51 C ATOM 1647 NZ LYS A 105 32.844 9.500 8.072 1.00 32.12 N ATOM 0 H LYS A 105 32.921 4.783 3.617 1.00 3.22 H new ATOM 0 HA LYS A 105 32.023 6.041 6.115 1.00 61.12 H new ATOM 0 HB2 LYS A 105 33.515 7.377 4.786 1.00 14.52 H new ATOM 0 HB3 LYS A 105 32.640 7.022 3.310 1.00 14.52 H new ATOM 0 HG2 LYS A 105 32.131 9.286 4.021 1.00 51.21 H new ATOM 0 HG3 LYS A 105 30.688 8.302 4.154 1.00 51.21 H new ATOM 0 HD2 LYS A 105 30.791 9.588 6.164 1.00 52.31 H new ATOM 0 HD3 LYS A 105 31.249 7.956 6.612 1.00 52.31 H new ATOM 0 HE2 LYS A 105 33.686 8.667 6.316 1.00 2.51 H new ATOM 0 HE3 LYS A 105 33.111 10.313 6.134 1.00 2.51 H new ATOM 0 HZ1 LYS A 105 33.761 9.857 8.408 1.00 32.12 H new ATOM 0 HZ2 LYS A 105 32.094 10.171 8.334 1.00 32.12 H new ATOM 0 HZ3 LYS A 105 32.651 8.577 8.510 1.00 32.12 H new ATOM 1661 N VAL A 106 29.589 6.219 5.660 1.00 12.00 N ATOM 1662 CA VAL A 106 28.145 6.173 5.466 1.00 54.54 C ATOM 1663 C VAL A 106 27.538 7.571 5.524 1.00 71.11 C ATOM 1664 O VAL A 106 27.751 8.311 6.484 1.00 71.41 O ATOM 1665 CB VAL A 106 27.463 5.285 6.524 1.00 45.52 C ATOM 1666 CG1 VAL A 106 25.964 5.215 6.277 1.00 1.45 C ATOM 1667 CG2 VAL A 106 28.077 3.894 6.526 1.00 64.42 C ATOM 0 H VAL A 106 29.881 6.542 6.582 1.00 12.00 H new ATOM 0 HA VAL A 106 27.972 5.745 4.478 1.00 54.54 H new ATOM 0 HB VAL A 106 27.624 5.730 7.506 1.00 45.52 H new ATOM 0 HG11 VAL A 106 25.500 4.583 7.034 1.00 1.45 H new ATOM 0 HG12 VAL A 106 25.539 6.217 6.330 1.00 1.45 H new ATOM 0 HG13 VAL A 106 25.777 4.794 5.289 1.00 1.45 H new ATOM 0 HG21 VAL A 106 27.584 3.280 7.279 1.00 64.42 H new ATOM 0 HG22 VAL A 106 27.948 3.438 5.544 1.00 64.42 H new ATOM 0 HG23 VAL A 106 29.140 3.966 6.756 1.00 64.42 H new ATOM 1677 N GLU A 107 26.781 7.925 4.490 1.00 13.02 N ATOM 1678 CA GLU A 107 26.143 9.235 4.424 1.00 21.24 C ATOM 1679 C GLU A 107 24.657 9.101 4.104 1.00 42.12 C ATOM 1680 O GLU A 107 24.246 8.198 3.374 1.00 11.31 O ATOM 1681 CB GLU A 107 26.827 10.107 3.370 1.00 41.22 C ATOM 1682 CG GLU A 107 26.122 11.431 3.125 1.00 64.24 C ATOM 1683 CD GLU A 107 26.117 12.325 4.349 1.00 22.24 C ATOM 1684 OE1 GLU A 107 27.214 12.647 4.853 1.00 61.24 O ATOM 1685 OE2 GLU A 107 25.018 12.702 4.805 1.00 55.03 O ATOM 0 H GLU A 107 26.595 7.324 3.687 1.00 13.02 H new ATOM 0 HA GLU A 107 26.245 9.710 5.400 1.00 21.24 H new ATOM 0 HB2 GLU A 107 27.852 10.303 3.683 1.00 41.22 H new ATOM 0 HB3 GLU A 107 26.880 9.554 2.432 1.00 41.22 H new ATOM 0 HG2 GLU A 107 26.611 11.952 2.302 1.00 64.24 H new ATOM 0 HG3 GLU A 107 25.095 11.239 2.816 1.00 64.24 H new ATOM 1692 N THR A 108 23.855 10.007 4.655 1.00 31.53 N ATOM 1693 CA THR A 108 22.415 9.990 4.431 1.00 60.25 C ATOM 1694 C THR A 108 21.948 11.277 3.760 1.00 22.21 C ATOM 1695 O THR A 108 22.320 12.374 4.175 1.00 2.53 O ATOM 1696 CB THR A 108 21.643 9.802 5.750 1.00 54.40 C ATOM 1697 OG1 THR A 108 22.356 10.420 6.827 1.00 13.41 O ATOM 1698 CG2 THR A 108 21.438 8.326 6.052 1.00 33.40 C ATOM 0 H THR A 108 24.179 10.762 5.260 1.00 31.53 H new ATOM 0 HA THR A 108 22.207 9.145 3.774 1.00 60.25 H new ATOM 0 HB THR A 108 20.666 10.273 5.644 1.00 54.40 H new ATOM 0 HG1 THR A 108 21.858 10.298 7.662 1.00 13.41 H new ATOM 0 HG21 THR A 108 20.890 8.219 6.988 1.00 33.40 H new ATOM 0 HG22 THR A 108 20.869 7.865 5.244 1.00 33.40 H new ATOM 0 HG23 THR A 108 22.407 7.835 6.140 1.00 33.40 H new ATOM 1706 N ASP A 109 21.131 11.135 2.722 1.00 24.11 N ATOM 1707 CA ASP A 109 20.612 12.287 1.995 1.00 50.22 C ATOM 1708 C ASP A 109 19.087 12.309 2.028 1.00 30.35 C ATOM 1709 O ASP A 109 18.434 11.352 1.614 1.00 71.41 O ATOM 1710 CB ASP A 109 21.102 12.266 0.546 1.00 3.32 C ATOM 1711 CG ASP A 109 20.795 13.557 -0.188 1.00 30.23 C ATOM 1712 OD1 ASP A 109 21.111 14.636 0.354 1.00 43.53 O ATOM 1713 OD2 ASP A 109 20.237 13.487 -1.303 1.00 43.02 O ATOM 0 H ASP A 109 20.814 10.233 2.365 1.00 24.11 H new ATOM 0 HA ASP A 109 20.981 13.189 2.483 1.00 50.22 H new ATOM 0 HB2 ASP A 109 22.178 12.090 0.532 1.00 3.32 H new ATOM 0 HB3 ASP A 109 20.636 11.433 0.020 1.00 3.32 H new