USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 863 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 42 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 46 MET CE :methyl -155:sc= -2.75! (180deg=-4.13!) USER MOD Single : A 1 MET CE :methyl -106:sc= -8.74! (180deg=-11.2!) USER MOD Single : A 1 MET N :NH3+ 173:sc= 0.398 (180deg=0.262) USER MOD Single : A 2 THR OG1 : rot 73:sc= 0.92 USER MOD Single : A 4 CYS SG : rot 180:sc= -1.64! USER MOD Single : A 6 MET CE :methyl -178:sc= 0 (180deg=-0.00605) USER MOD Single : A 7 TYR OH : rot 130:sc= -0.0138 USER MOD Single : A 8 ASN : amide:sc= -1.93 K(o=-1.9,f=-4.6!) USER MOD Single : A 10 SER OG : rot 104:sc= -0.475 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 X(o=0,f=-0.0049) 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 23 MET CE :methyl 162:sc= -0.0153 (180deg=-0.18) USER MOD Single : A 29 SER OG : rot 85:sc= 0.419 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 15:sc= -0.948 USER MOD Single : A 40 ASN : amide:sc= -0.346 X(o=-0.35,f=-0.39) USER MOD Single : A 45 MET CE :methyl 177:sc= -0.911 (180deg=-0.934) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.248 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 -59:sc= -0.938 USER MOD Single : A 71 ASN :FLIP amide:sc=-0.00805 F(o=-0.93,f=-0.0081) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl 174:sc= -3.39 (180deg=-3.71) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc=-0.00252 K(o=-0.0025,f=-0.58) USER MOD Single : A 88 MET CE :methyl -151:sc= -6.62! (180deg=-10.1!) USER MOD Single : A 89 LYS NZ :NH3+ -133:sc= -1.1 (180deg=-5.13!) 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 -73:sc= 1.27 USER MOD Single : A 98 LYS NZ :NH3+ -113:sc= 0.396 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -159:sc= -0.879 (180deg=-1.73!) USER MOD Single : A 101 ASN : amide:sc= -0.264 K(o=-0.26,f=-3.4!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (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 Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.509 -0.192 0.301 1.00 21.31 N ATOM 2 CA MET A 1 2.120 -0.034 -1.014 1.00 34.22 C ATOM 3 C MET A 1 3.465 -0.750 -1.078 1.00 41.11 C ATOM 4 O MET A 1 3.980 -1.219 -0.063 1.00 21.14 O ATOM 5 CB MET A 1 2.302 1.449 -1.340 1.00 53.31 C ATOM 6 CG MET A 1 2.481 2.325 -0.110 1.00 71.53 C ATOM 7 SD MET A 1 3.908 1.844 0.882 1.00 12.30 S ATOM 8 CE MET A 1 5.189 1.798 -0.368 1.00 65.13 C ATOM 0 H1 MET A 1 0.655 0.399 0.360 1.00 21.31 H new ATOM 0 H2 MET A 1 1.251 -1.189 0.446 1.00 21.31 H new ATOM 0 H3 MET A 1 2.185 0.101 1.035 1.00 21.31 H new ATOM 0 HA MET A 1 1.455 -0.482 -1.753 1.00 34.22 H new ATOM 0 HB2 MET A 1 3.170 1.566 -1.989 1.00 53.31 H new ATOM 0 HB3 MET A 1 1.435 1.798 -1.901 1.00 53.31 H new ATOM 0 HG2 MET A 1 2.593 3.364 -0.421 1.00 71.53 H new ATOM 0 HG3 MET A 1 1.582 2.271 0.504 1.00 71.53 H new ATOM 0 HE1 MET A 1 5.437 0.762 -0.597 1.00 65.13 H new ATOM 0 HE2 MET A 1 4.834 2.294 -1.271 1.00 65.13 H new ATOM 0 HE3 MET A 1 6.077 2.310 0.002 1.00 65.13 H new ATOM 18 N THR A 2 4.031 -0.831 -2.279 1.00 13.24 N ATOM 19 CA THR A 2 5.315 -1.490 -2.475 1.00 63.53 C ATOM 20 C THR A 2 6.430 -0.472 -2.685 1.00 70.01 C ATOM 21 O THR A 2 6.337 0.395 -3.555 1.00 61.12 O ATOM 22 CB THR A 2 5.276 -2.448 -3.681 1.00 44.24 C ATOM 23 OG1 THR A 2 3.961 -2.994 -3.831 1.00 40.44 O ATOM 24 CG2 THR A 2 6.282 -3.576 -3.510 1.00 4.24 C ATOM 0 H THR A 2 3.619 -0.448 -3.130 1.00 13.24 H new ATOM 0 HA THR A 2 5.517 -2.064 -1.570 1.00 63.53 H new ATOM 0 HB THR A 2 5.538 -1.881 -4.575 1.00 44.24 H new ATOM 0 HG1 THR A 2 3.356 -2.302 -4.170 1.00 40.44 H new ATOM 0 HG21 THR A 2 6.236 -4.239 -4.374 1.00 4.24 H new ATOM 0 HG22 THR A 2 7.286 -3.159 -3.426 1.00 4.24 H new ATOM 0 HG23 THR A 2 6.047 -4.140 -2.607 1.00 4.24 H new ATOM 32 N LEU A 3 7.484 -0.582 -1.884 1.00 31.00 N ATOM 33 CA LEU A 3 8.618 0.330 -1.983 1.00 24.35 C ATOM 34 C LEU A 3 9.894 -0.425 -2.345 1.00 14.14 C ATOM 35 O LEU A 3 10.291 -1.361 -1.650 1.00 4.32 O ATOM 36 CB LEU A 3 8.812 1.078 -0.663 1.00 5.33 C ATOM 37 CG LEU A 3 8.903 2.601 -0.762 1.00 45.41 C ATOM 38 CD1 LEU A 3 7.821 3.142 -1.683 1.00 72.12 C ATOM 39 CD2 LEU A 3 8.796 3.233 0.618 1.00 4.31 C ATOM 0 H LEU A 3 7.577 -1.293 -1.159 1.00 31.00 H new ATOM 0 HA LEU A 3 8.407 1.049 -2.774 1.00 24.35 H new ATOM 0 HB2 LEU A 3 7.984 0.826 -0.000 1.00 5.33 H new ATOM 0 HB3 LEU A 3 9.722 0.710 -0.190 1.00 5.33 H new ATOM 0 HG LEU A 3 9.874 2.861 -1.184 1.00 45.41 H new ATOM 0 HD11 LEU A 3 7.902 4.227 -1.741 1.00 72.12 H new ATOM 0 HD12 LEU A 3 7.944 2.715 -2.678 1.00 72.12 H new ATOM 0 HD13 LEU A 3 6.841 2.872 -1.291 1.00 72.12 H new ATOM 0 HD21 LEU A 3 8.863 4.317 0.528 1.00 4.31 H new ATOM 0 HD22 LEU A 3 7.840 2.965 1.068 1.00 4.31 H new ATOM 0 HD23 LEU A 3 9.608 2.871 1.248 1.00 4.31 H new ATOM 51 N CYS A 4 10.531 -0.011 -3.434 1.00 55.32 N ATOM 52 CA CYS A 4 11.762 -0.647 -3.888 1.00 3.20 C ATOM 53 C CYS A 4 12.903 0.363 -3.954 1.00 43.21 C ATOM 54 O CYS A 4 12.677 1.559 -4.135 1.00 0.21 O ATOM 55 CB CYS A 4 11.553 -1.289 -5.260 1.00 65.11 C ATOM 56 SG CYS A 4 10.066 -2.310 -5.379 1.00 13.23 S ATOM 0 H CYS A 4 10.215 0.763 -4.019 1.00 55.32 H new ATOM 0 HA CYS A 4 12.028 -1.422 -3.169 1.00 3.20 H new ATOM 0 HB2 CYS A 4 11.502 -0.503 -6.013 1.00 65.11 H new ATOM 0 HB3 CYS A 4 12.422 -1.903 -5.498 1.00 65.11 H new ATOM 0 HG CYS A 4 9.976 -2.807 -6.577 1.00 13.23 H new ATOM 62 N ALA A 5 14.130 -0.127 -3.805 1.00 14.24 N ATOM 63 CA ALA A 5 15.306 0.733 -3.848 1.00 21.33 C ATOM 64 C ALA A 5 16.403 0.119 -4.712 1.00 14.51 C ATOM 65 O ALA A 5 16.594 -1.096 -4.718 1.00 20.21 O ATOM 66 CB ALA A 5 15.823 0.991 -2.440 1.00 60.41 C ATOM 0 H ALA A 5 14.335 -1.115 -3.654 1.00 14.24 H new ATOM 0 HA ALA A 5 15.015 1.683 -4.296 1.00 21.33 H new ATOM 0 HB1 ALA A 5 16.701 1.635 -2.487 1.00 60.41 H new ATOM 0 HB2 ALA A 5 15.047 1.479 -1.851 1.00 60.41 H new ATOM 0 HB3 ALA A 5 16.092 0.044 -1.972 1.00 60.41 H new ATOM 72 N MET A 6 17.119 0.969 -5.441 1.00 62.41 N ATOM 73 CA MET A 6 18.197 0.509 -6.309 1.00 23.10 C ATOM 74 C MET A 6 19.548 1.017 -5.814 1.00 53.22 C ATOM 75 O MET A 6 19.730 2.216 -5.599 1.00 72.24 O ATOM 76 CB MET A 6 17.959 0.977 -7.746 1.00 35.40 C ATOM 77 CG MET A 6 18.142 2.474 -7.936 1.00 75.42 C ATOM 78 SD MET A 6 17.170 3.123 -9.309 1.00 41.14 S ATOM 79 CE MET A 6 17.963 2.315 -10.697 1.00 45.22 C ATOM 0 H MET A 6 16.973 1.978 -5.448 1.00 62.41 H new ATOM 0 HA MET A 6 18.208 -0.581 -6.286 1.00 23.10 H new ATOM 0 HB2 MET A 6 18.643 0.449 -8.410 1.00 35.40 H new ATOM 0 HB3 MET A 6 16.948 0.702 -8.046 1.00 35.40 H new ATOM 0 HG2 MET A 6 17.858 2.990 -7.019 1.00 75.42 H new ATOM 0 HG3 MET A 6 19.197 2.688 -8.109 1.00 75.42 H new ATOM 0 HE1 MET A 6 17.496 2.644 -11.625 1.00 45.22 H new ATOM 0 HE2 MET A 6 19.022 2.574 -10.712 1.00 45.22 H new ATOM 0 HE3 MET A 6 17.855 1.235 -10.599 1.00 45.22 H new ATOM 89 N TYR A 7 20.491 0.099 -5.635 1.00 53.11 N ATOM 90 CA TYR A 7 21.824 0.454 -5.163 1.00 14.51 C ATOM 91 C TYR A 7 22.890 0.019 -6.163 1.00 61.21 C ATOM 92 O TYR A 7 22.773 -1.030 -6.795 1.00 33.32 O ATOM 93 CB TYR A 7 22.093 -0.188 -3.801 1.00 41.30 C ATOM 94 CG TYR A 7 22.351 -1.676 -3.874 1.00 12.24 C ATOM 95 CD1 TYR A 7 21.299 -2.581 -3.933 1.00 75.01 C ATOM 96 CD2 TYR A 7 23.647 -2.176 -3.884 1.00 30.45 C ATOM 97 CE1 TYR A 7 21.529 -3.941 -3.999 1.00 25.43 C ATOM 98 CE2 TYR A 7 23.887 -3.535 -3.950 1.00 64.24 C ATOM 99 CZ TYR A 7 22.825 -4.414 -4.007 1.00 44.43 C ATOM 100 OH TYR A 7 23.060 -5.768 -4.074 1.00 13.10 O ATOM 0 H TYR A 7 20.357 -0.897 -5.810 1.00 53.11 H new ATOM 0 HA TYR A 7 21.869 1.538 -5.061 1.00 14.51 H new ATOM 0 HB2 TYR A 7 22.953 0.299 -3.342 1.00 41.30 H new ATOM 0 HB3 TYR A 7 21.239 -0.007 -3.148 1.00 41.30 H new ATOM 0 HD1 TYR A 7 20.283 -2.215 -3.927 1.00 75.01 H new ATOM 0 HD2 TYR A 7 24.481 -1.491 -3.839 1.00 30.45 H new ATOM 0 HE1 TYR A 7 20.699 -4.631 -4.044 1.00 25.43 H new ATOM 0 HE2 TYR A 7 24.901 -3.907 -3.957 1.00 64.24 H new ATOM 0 HH TYR A 7 23.709 -5.953 -4.785 1.00 13.10 H new ATOM 110 N ASN A 8 23.931 0.833 -6.300 1.00 43.44 N ATOM 111 CA ASN A 8 25.020 0.533 -7.223 1.00 50.43 C ATOM 112 C ASN A 8 26.342 0.389 -6.476 1.00 63.11 C ATOM 113 O ASN A 8 26.670 1.202 -5.612 1.00 4.32 O ATOM 114 CB ASN A 8 25.137 1.632 -8.281 1.00 53.35 C ATOM 115 CG ASN A 8 25.740 2.908 -7.726 1.00 63.11 C ATOM 116 OD1 ASN A 8 25.023 3.835 -7.350 1.00 33.33 O ATOM 117 ND2 ASN A 8 27.066 2.961 -7.673 1.00 61.41 N ATOM 0 H ASN A 8 24.044 1.706 -5.784 1.00 43.44 H new ATOM 0 HA ASN A 8 24.796 -0.414 -7.715 1.00 50.43 H new ATOM 0 HB2 ASN A 8 25.751 1.273 -9.107 1.00 53.35 H new ATOM 0 HB3 ASN A 8 24.149 1.847 -8.688 1.00 53.35 H new ATOM 0 HD21 ASN A 8 27.529 3.794 -7.310 1.00 61.41 H new ATOM 0 HD22 ASN A 8 27.621 2.169 -7.996 1.00 61.41 H new ATOM 124 N ILE A 9 27.097 -0.651 -6.816 1.00 12.23 N ATOM 125 CA ILE A 9 28.384 -0.901 -6.178 1.00 53.44 C ATOM 126 C ILE A 9 29.528 -0.760 -7.177 1.00 11.35 C ATOM 127 O ILE A 9 29.482 -1.320 -8.272 1.00 5.13 O ATOM 128 CB ILE A 9 28.437 -2.305 -5.549 1.00 32.04 C ATOM 129 CG1 ILE A 9 27.788 -3.330 -6.480 1.00 75.52 C ATOM 130 CG2 ILE A 9 27.748 -2.303 -4.192 1.00 25.42 C ATOM 131 CD1 ILE A 9 26.300 -3.494 -6.257 1.00 4.44 C ATOM 0 H ILE A 9 26.840 -1.333 -7.529 1.00 12.23 H new ATOM 0 HA ILE A 9 28.497 -0.155 -5.391 1.00 53.44 H new ATOM 0 HB ILE A 9 29.481 -2.583 -5.405 1.00 32.04 H new ATOM 0 HG12 ILE A 9 27.961 -3.031 -7.514 1.00 75.52 H new ATOM 0 HG13 ILE A 9 28.276 -4.295 -6.342 1.00 75.52 H new ATOM 0 HG21 ILE A 9 27.793 -3.302 -3.759 1.00 25.42 H new ATOM 0 HG22 ILE A 9 28.250 -1.598 -3.530 1.00 25.42 H new ATOM 0 HG23 ILE A 9 26.706 -2.007 -4.313 1.00 25.42 H new ATOM 0 HD11 ILE A 9 25.908 -4.236 -6.952 1.00 4.44 H new ATOM 0 HD12 ILE A 9 26.120 -3.824 -5.234 1.00 4.44 H new ATOM 0 HD13 ILE A 9 25.800 -2.540 -6.424 1.00 4.44 H new ATOM 143 N SER A 10 30.554 -0.009 -6.790 1.00 24.03 N ATOM 144 CA SER A 10 31.711 0.207 -7.651 1.00 53.43 C ATOM 145 C SER A 10 32.949 -0.477 -7.080 1.00 42.34 C ATOM 146 O SER A 10 33.352 -0.211 -5.948 1.00 73.22 O ATOM 147 CB SER A 10 31.974 1.705 -7.821 1.00 31.12 C ATOM 148 OG SER A 10 33.057 2.127 -7.010 1.00 52.43 O ATOM 0 H SER A 10 30.608 0.460 -5.886 1.00 24.03 H new ATOM 0 HA SER A 10 31.494 -0.230 -8.626 1.00 53.43 H new ATOM 0 HB2 SER A 10 32.192 1.923 -8.867 1.00 31.12 H new ATOM 0 HB3 SER A 10 31.078 2.267 -7.558 1.00 31.12 H new ATOM 0 HG SER A 10 33.853 2.253 -7.567 1.00 52.43 H new ATOM 154 N MET A 11 33.548 -1.359 -7.873 1.00 45.13 N ATOM 155 CA MET A 11 34.742 -2.081 -7.448 1.00 40.00 C ATOM 156 C MET A 11 36.000 -1.267 -7.734 1.00 23.34 C ATOM 157 O MET A 11 37.111 -1.692 -7.415 1.00 15.42 O ATOM 158 CB MET A 11 34.824 -3.435 -8.156 1.00 4.22 C ATOM 159 CG MET A 11 35.104 -3.325 -9.646 1.00 24.41 C ATOM 160 SD MET A 11 33.699 -3.831 -10.656 1.00 31.33 S ATOM 161 CE MET A 11 34.069 -2.994 -12.195 1.00 43.01 C ATOM 0 H MET A 11 33.227 -1.591 -8.813 1.00 45.13 H new ATOM 0 HA MET A 11 34.674 -2.245 -6.373 1.00 40.00 H new ATOM 0 HB2 MET A 11 35.608 -4.032 -7.690 1.00 4.22 H new ATOM 0 HB3 MET A 11 33.886 -3.970 -8.009 1.00 4.22 H new ATOM 0 HG2 MET A 11 35.368 -2.295 -9.887 1.00 24.41 H new ATOM 0 HG3 MET A 11 35.967 -3.942 -9.896 1.00 24.41 H new ATOM 0 HE1 MET A 11 33.288 -3.210 -12.924 1.00 43.01 H new ATOM 0 HE2 MET A 11 34.117 -1.919 -12.022 1.00 43.01 H new ATOM 0 HE3 MET A 11 35.028 -3.343 -12.577 1.00 43.01 H new ATOM 171 N ALA A 12 35.819 -0.097 -8.336 1.00 54.14 N ATOM 172 CA ALA A 12 36.939 0.776 -8.663 1.00 42.21 C ATOM 173 C ALA A 12 36.463 2.035 -9.381 1.00 65.52 C ATOM 174 O ALA A 12 35.275 2.353 -9.375 1.00 22.01 O ATOM 175 CB ALA A 12 37.957 0.032 -9.515 1.00 53.54 C ATOM 0 H ALA A 12 34.906 0.269 -8.607 1.00 54.14 H new ATOM 0 HA ALA A 12 37.415 1.080 -7.731 1.00 42.21 H new ATOM 0 HB1 ALA A 12 38.788 0.696 -9.752 1.00 53.54 H new ATOM 0 HB2 ALA A 12 38.329 -0.833 -8.965 1.00 53.54 H new ATOM 0 HB3 ALA A 12 37.484 -0.301 -10.439 1.00 53.54 H new ATOM 181 N GLY A 13 37.400 2.748 -10.000 1.00 21.54 N ATOM 182 CA GLY A 13 37.056 3.964 -10.713 1.00 25.30 C ATOM 183 C GLY A 13 36.597 3.693 -12.132 1.00 1.40 C ATOM 184 O GLY A 13 36.982 4.402 -13.062 1.00 1.11 O ATOM 0 H GLY A 13 38.390 2.505 -10.020 1.00 21.54 H new ATOM 0 HA2 GLY A 13 36.267 4.488 -10.173 1.00 25.30 H new ATOM 0 HA3 GLY A 13 37.921 4.626 -10.734 1.00 25.30 H new ATOM 188 N SER A 14 35.773 2.664 -12.300 1.00 12.24 N ATOM 189 CA SER A 14 35.265 2.298 -13.617 1.00 11.34 C ATOM 190 C SER A 14 33.761 2.049 -13.569 1.00 35.14 C ATOM 191 O SER A 14 33.195 1.793 -12.505 1.00 5.33 O ATOM 192 CB SER A 14 35.984 1.051 -14.136 1.00 13.55 C ATOM 193 OG SER A 14 35.743 0.863 -15.519 1.00 71.41 O ATOM 0 H SER A 14 35.443 2.069 -11.540 1.00 12.24 H new ATOM 0 HA SER A 14 35.457 3.128 -14.297 1.00 11.34 H new ATOM 0 HB2 SER A 14 37.056 1.145 -13.960 1.00 13.55 H new ATOM 0 HB3 SER A 14 35.646 0.175 -13.582 1.00 13.55 H new ATOM 0 HG SER A 14 36.214 0.061 -15.827 1.00 71.41 H new ATOM 199 N HIS A 15 33.117 2.125 -14.729 1.00 40.23 N ATOM 200 CA HIS A 15 31.678 1.907 -14.821 1.00 53.32 C ATOM 201 C HIS A 15 31.206 0.933 -13.746 1.00 70.10 C ATOM 202 O HIS A 15 31.404 -0.278 -13.842 1.00 34.51 O ATOM 203 CB HIS A 15 31.309 1.375 -16.206 1.00 74.30 C ATOM 204 CG HIS A 15 29.838 1.165 -16.395 1.00 33.24 C ATOM 205 ND1 HIS A 15 29.296 -0.033 -16.811 1.00 54.43 N ATOM 206 CD2 HIS A 15 28.793 2.008 -16.219 1.00 24.11 C ATOM 207 CE1 HIS A 15 27.982 0.084 -16.886 1.00 32.54 C ATOM 208 NE2 HIS A 15 27.651 1.312 -16.531 1.00 4.22 N ATOM 0 H HIS A 15 33.569 2.336 -15.619 1.00 40.23 H new ATOM 0 HA HIS A 15 31.180 2.864 -14.663 1.00 53.32 H new ATOM 0 HB2 HIS A 15 31.668 2.074 -16.962 1.00 74.30 H new ATOM 0 HB3 HIS A 15 31.827 0.431 -16.373 1.00 74.30 H new ATOM 0 HD2 HIS A 15 28.848 3.036 -15.894 1.00 24.11 H new ATOM 0 HE1 HIS A 15 27.295 -0.693 -17.187 1.00 32.54 H new ATOM 0 HE2 HIS A 15 26.702 1.683 -16.494 1.00 4.22 H new ATOM 216 N PRO A 16 30.568 1.472 -12.697 1.00 11.23 N ATOM 217 CA PRO A 16 30.055 0.668 -11.583 1.00 43.13 C ATOM 218 C PRO A 16 28.864 -0.193 -11.990 1.00 41.51 C ATOM 219 O PRO A 16 28.430 -0.166 -13.142 1.00 54.02 O ATOM 220 CB PRO A 16 29.630 1.718 -10.554 1.00 13.00 C ATOM 221 CG PRO A 16 29.341 2.940 -11.356 1.00 65.11 C ATOM 222 CD PRO A 16 30.297 2.908 -12.517 1.00 3.45 C ATOM 0 HA PRO A 16 30.800 -0.036 -11.211 1.00 43.13 H new ATOM 0 HB2 PRO A 16 28.751 1.393 -9.997 1.00 13.00 H new ATOM 0 HB3 PRO A 16 30.420 1.900 -9.825 1.00 13.00 H new ATOM 0 HG2 PRO A 16 28.307 2.945 -11.702 1.00 65.11 H new ATOM 0 HG3 PRO A 16 29.482 3.841 -10.759 1.00 65.11 H new ATOM 0 HD2 PRO A 16 29.857 3.349 -13.412 1.00 3.45 H new ATOM 0 HD3 PRO A 16 31.209 3.465 -12.302 1.00 3.45 H new ATOM 230 N THR A 17 28.338 -0.956 -11.037 1.00 43.01 N ATOM 231 CA THR A 17 27.198 -1.825 -11.296 1.00 74.24 C ATOM 232 C THR A 17 25.977 -1.384 -10.497 1.00 1.03 C ATOM 233 O THR A 17 26.040 -1.243 -9.275 1.00 35.32 O ATOM 234 CB THR A 17 27.519 -3.292 -10.953 1.00 44.11 C ATOM 235 OG1 THR A 17 28.715 -3.702 -11.627 1.00 15.12 O ATOM 236 CG2 THR A 17 26.369 -4.205 -11.349 1.00 62.21 C ATOM 0 H THR A 17 28.684 -0.989 -10.078 1.00 43.01 H new ATOM 0 HA THR A 17 26.979 -1.748 -12.361 1.00 74.24 H new ATOM 0 HB THR A 17 27.666 -3.366 -9.875 1.00 44.11 H new ATOM 0 HG1 THR A 17 28.913 -4.635 -11.403 1.00 15.12 H new ATOM 0 HG21 THR A 17 26.619 -5.236 -11.097 1.00 62.21 H new ATOM 0 HG22 THR A 17 25.468 -3.909 -10.812 1.00 62.21 H new ATOM 0 HG23 THR A 17 26.195 -4.126 -12.422 1.00 62.21 H new ATOM 244 N THR A 18 24.866 -1.167 -11.193 1.00 54.01 N ATOM 245 CA THR A 18 23.630 -0.741 -10.548 1.00 22.22 C ATOM 246 C THR A 18 22.635 -1.892 -10.451 1.00 25.21 C ATOM 247 O THR A 18 22.540 -2.720 -11.358 1.00 13.14 O ATOM 248 CB THR A 18 22.974 0.427 -11.307 1.00 14.20 C ATOM 249 OG1 THR A 18 23.892 1.521 -11.412 1.00 31.11 O ATOM 250 CG2 THR A 18 21.707 0.888 -10.601 1.00 23.30 C ATOM 0 H THR A 18 24.797 -1.279 -12.204 1.00 54.01 H new ATOM 0 HA THR A 18 23.896 -0.409 -9.544 1.00 22.22 H new ATOM 0 HB THR A 18 22.709 0.079 -12.305 1.00 14.20 H new ATOM 0 HG1 THR A 18 23.467 2.259 -11.898 1.00 31.11 H new ATOM 0 HG21 THR A 18 21.261 1.714 -11.156 1.00 23.30 H new ATOM 0 HG22 THR A 18 20.998 0.062 -10.549 1.00 23.30 H new ATOM 0 HG23 THR A 18 21.953 1.219 -9.592 1.00 23.30 H new ATOM 258 N ILE A 19 21.897 -1.938 -9.347 1.00 71.44 N ATOM 259 CA ILE A 19 20.908 -2.988 -9.134 1.00 51.32 C ATOM 260 C ILE A 19 19.648 -2.431 -8.479 1.00 24.11 C ATOM 261 O ILE A 19 19.720 -1.553 -7.618 1.00 24.41 O ATOM 262 CB ILE A 19 21.471 -4.122 -8.257 1.00 53.04 C ATOM 263 CG1 ILE A 19 21.864 -5.319 -9.125 1.00 61.40 C ATOM 264 CG2 ILE A 19 20.451 -4.535 -7.206 1.00 41.34 C ATOM 265 CD1 ILE A 19 22.168 -6.569 -8.328 1.00 54.14 C ATOM 0 H ILE A 19 21.965 -1.261 -8.587 1.00 71.44 H new ATOM 0 HA ILE A 19 20.657 -3.390 -10.116 1.00 51.32 H new ATOM 0 HB ILE A 19 22.363 -3.759 -7.746 1.00 53.04 H new ATOM 0 HG12 ILE A 19 21.056 -5.531 -9.825 1.00 61.40 H new ATOM 0 HG13 ILE A 19 22.739 -5.055 -9.719 1.00 61.40 H new ATOM 0 HG21 ILE A 19 20.863 -5.337 -6.594 1.00 41.34 H new ATOM 0 HG22 ILE A 19 20.215 -3.680 -6.572 1.00 41.34 H new ATOM 0 HG23 ILE A 19 19.543 -4.884 -7.698 1.00 41.34 H new ATOM 0 HD11 ILE A 19 22.439 -7.377 -9.008 1.00 54.14 H new ATOM 0 HD12 ILE A 19 22.997 -6.374 -7.647 1.00 54.14 H new ATOM 0 HD13 ILE A 19 21.287 -6.858 -7.754 1.00 54.14 H new ATOM 277 N CYS A 20 18.496 -2.948 -8.891 1.00 23.23 N ATOM 278 CA CYS A 20 17.220 -2.504 -8.343 1.00 15.30 C ATOM 279 C CYS A 20 16.464 -3.668 -7.712 1.00 34.50 C ATOM 280 O CYS A 20 16.110 -4.633 -8.390 1.00 61.31 O ATOM 281 CB CYS A 20 16.367 -1.860 -9.438 1.00 25.21 C ATOM 282 SG CYS A 20 14.703 -1.398 -8.903 1.00 24.35 S ATOM 0 H CYS A 20 18.420 -3.675 -9.603 1.00 23.23 H new ATOM 0 HA CYS A 20 17.424 -1.764 -7.569 1.00 15.30 H new ATOM 0 HB2 CYS A 20 16.879 -0.971 -9.806 1.00 25.21 H new ATOM 0 HB3 CYS A 20 16.288 -2.552 -10.276 1.00 25.21 H new ATOM 0 HG CYS A 20 14.061 -0.860 -9.897 1.00 24.35 H new ATOM 288 N VAL A 21 16.220 -3.573 -6.409 1.00 0.43 N ATOM 289 CA VAL A 21 15.507 -4.618 -5.685 1.00 74.33 C ATOM 290 C VAL A 21 14.568 -4.023 -4.642 1.00 50.42 C ATOM 291 O VAL A 21 14.849 -2.972 -4.066 1.00 4.31 O ATOM 292 CB VAL A 21 16.483 -5.585 -4.989 1.00 72.21 C ATOM 293 CG1 VAL A 21 17.212 -6.439 -6.015 1.00 73.13 C ATOM 294 CG2 VAL A 21 17.471 -4.815 -4.126 1.00 55.42 C ATOM 0 H VAL A 21 16.506 -2.782 -5.833 1.00 0.43 H new ATOM 0 HA VAL A 21 14.923 -5.170 -6.421 1.00 74.33 H new ATOM 0 HB VAL A 21 15.910 -6.248 -4.341 1.00 72.21 H new ATOM 0 HG11 VAL A 21 17.897 -7.116 -5.504 1.00 73.13 H new ATOM 0 HG12 VAL A 21 16.487 -7.019 -6.586 1.00 73.13 H new ATOM 0 HG13 VAL A 21 17.775 -5.795 -6.691 1.00 73.13 H new ATOM 0 HG21 VAL A 21 18.153 -5.514 -3.642 1.00 55.42 H new ATOM 0 HG22 VAL A 21 18.040 -4.127 -4.751 1.00 55.42 H new ATOM 0 HG23 VAL A 21 16.929 -4.252 -3.366 1.00 55.42 H new ATOM 304 N VAL A 22 13.450 -4.701 -4.403 1.00 63.42 N ATOM 305 CA VAL A 22 12.470 -4.240 -3.428 1.00 34.53 C ATOM 306 C VAL A 22 13.033 -4.298 -2.012 1.00 63.24 C ATOM 307 O VAL A 22 13.941 -5.078 -1.726 1.00 62.25 O ATOM 308 CB VAL A 22 11.180 -5.080 -3.489 1.00 55.43 C ATOM 309 CG1 VAL A 22 11.438 -6.494 -2.992 1.00 51.33 C ATOM 310 CG2 VAL A 22 10.074 -4.416 -2.683 1.00 13.23 C ATOM 0 H VAL A 22 13.201 -5.572 -4.872 1.00 63.42 H new ATOM 0 HA VAL A 22 12.235 -3.206 -3.681 1.00 34.53 H new ATOM 0 HB VAL A 22 10.856 -5.140 -4.528 1.00 55.43 H new ATOM 0 HG11 VAL A 22 10.515 -7.072 -3.043 1.00 51.33 H new ATOM 0 HG12 VAL A 22 12.196 -6.966 -3.616 1.00 51.33 H new ATOM 0 HG13 VAL A 22 11.788 -6.459 -1.960 1.00 51.33 H new ATOM 0 HG21 VAL A 22 9.170 -5.023 -2.737 1.00 13.23 H new ATOM 0 HG22 VAL A 22 10.387 -4.323 -1.643 1.00 13.23 H new ATOM 0 HG23 VAL A 22 9.871 -3.426 -3.091 1.00 13.23 H new ATOM 320 N MET A 23 12.488 -3.467 -1.130 1.00 23.30 N ATOM 321 CA MET A 23 12.936 -3.425 0.257 1.00 21.13 C ATOM 322 C MET A 23 12.899 -4.816 0.883 1.00 14.31 C ATOM 323 O MET A 23 13.785 -5.184 1.655 1.00 53.54 O ATOM 324 CB MET A 23 12.064 -2.465 1.068 1.00 0.51 C ATOM 325 CG MET A 23 12.524 -2.294 2.507 1.00 53.01 C ATOM 326 SD MET A 23 11.169 -2.425 3.689 1.00 34.22 S ATOM 327 CE MET A 23 10.750 -4.160 3.533 1.00 55.44 C ATOM 0 H MET A 23 11.736 -2.814 -1.351 1.00 23.30 H new ATOM 0 HA MET A 23 13.966 -3.068 0.269 1.00 21.13 H new ATOM 0 HB2 MET A 23 12.058 -1.491 0.579 1.00 0.51 H new ATOM 0 HB3 MET A 23 11.037 -2.829 1.064 1.00 0.51 H new ATOM 0 HG2 MET A 23 13.275 -3.049 2.736 1.00 53.01 H new ATOM 0 HG3 MET A 23 13.005 -1.322 2.618 1.00 53.01 H new ATOM 0 HE1 MET A 23 10.168 -4.473 4.400 1.00 55.44 H new ATOM 0 HE2 MET A 23 10.163 -4.312 2.628 1.00 55.44 H new ATOM 0 HE3 MET A 23 11.664 -4.751 3.476 1.00 55.44 H new ATOM 337 N ASP A 24 11.868 -5.583 0.546 1.00 22.53 N ATOM 338 CA ASP A 24 11.716 -6.934 1.075 1.00 60.11 C ATOM 339 C ASP A 24 12.922 -7.797 0.717 1.00 3.32 C ATOM 340 O ASP A 24 13.366 -8.622 1.515 1.00 31.44 O ATOM 341 CB ASP A 24 10.437 -7.575 0.535 1.00 72.15 C ATOM 342 CG ASP A 24 9.358 -7.697 1.593 1.00 3.41 C ATOM 343 OD1 ASP A 24 9.180 -6.736 2.372 1.00 73.44 O ATOM 344 OD2 ASP A 24 8.692 -8.752 1.642 1.00 3.45 O ATOM 0 H ASP A 24 11.126 -5.293 -0.090 1.00 22.53 H new ATOM 0 HA ASP A 24 11.649 -6.867 2.161 1.00 60.11 H new ATOM 0 HB2 ASP A 24 10.060 -6.981 -0.297 1.00 72.15 H new ATOM 0 HB3 ASP A 24 10.669 -8.565 0.141 1.00 72.15 H new ATOM 349 N ARG A 25 13.447 -7.600 -0.488 1.00 25.23 N ATOM 350 CA ARG A 25 14.601 -8.362 -0.952 1.00 12.31 C ATOM 351 C ARG A 25 15.888 -7.561 -0.775 1.00 72.12 C ATOM 352 O ARG A 25 16.988 -8.105 -0.872 1.00 30.20 O ATOM 353 CB ARG A 25 14.426 -8.748 -2.422 1.00 14.03 C ATOM 354 CG ARG A 25 13.321 -9.766 -2.657 1.00 5.24 C ATOM 355 CD ARG A 25 13.675 -11.119 -2.060 1.00 63.12 C ATOM 356 NE ARG A 25 12.730 -12.158 -2.461 1.00 1.22 N ATOM 357 CZ ARG A 25 11.534 -12.317 -1.905 1.00 40.02 C ATOM 358 NH1 ARG A 25 11.139 -11.509 -0.931 1.00 41.00 N ATOM 359 NH2 ARG A 25 10.730 -13.286 -2.324 1.00 50.35 N ATOM 0 H ARG A 25 13.092 -6.920 -1.160 1.00 25.23 H new ATOM 0 HA ARG A 25 14.672 -9.269 -0.351 1.00 12.31 H new ATOM 0 HB2 ARG A 25 14.211 -7.850 -3.001 1.00 14.03 H new ATOM 0 HB3 ARG A 25 15.366 -9.152 -2.797 1.00 14.03 H new ATOM 0 HG2 ARG A 25 12.392 -9.404 -2.217 1.00 5.24 H new ATOM 0 HG3 ARG A 25 13.146 -9.874 -3.727 1.00 5.24 H new ATOM 0 HD2 ARG A 25 14.680 -11.402 -2.374 1.00 63.12 H new ATOM 0 HD3 ARG A 25 13.690 -11.043 -0.973 1.00 63.12 H new ATOM 0 HE ARG A 25 13.003 -12.796 -3.208 1.00 1.22 H new ATOM 0 HH11 ARG A 25 11.754 -10.763 -0.607 1.00 41.00 H new ATOM 0 HH12 ARG A 25 10.220 -11.634 -0.506 1.00 41.00 H new ATOM 0 HH21 ARG A 25 11.030 -13.909 -3.073 1.00 50.35 H new ATOM 0 HH22 ARG A 25 9.812 -13.407 -1.897 1.00 50.35 H new ATOM 373 N PHE A 26 15.742 -6.266 -0.516 1.00 51.12 N ATOM 374 CA PHE A 26 16.892 -5.390 -0.327 1.00 43.24 C ATOM 375 C PHE A 26 17.704 -5.813 0.893 1.00 21.41 C ATOM 376 O PHE A 26 18.934 -5.861 0.849 1.00 2.21 O ATOM 377 CB PHE A 26 16.434 -3.938 -0.171 1.00 23.33 C ATOM 378 CG PHE A 26 17.569 -2.962 -0.049 1.00 51.52 C ATOM 379 CD1 PHE A 26 18.661 -3.039 -0.899 1.00 12.33 C ATOM 380 CD2 PHE A 26 17.543 -1.966 0.914 1.00 23.11 C ATOM 381 CE1 PHE A 26 19.706 -2.142 -0.788 1.00 44.43 C ATOM 382 CE2 PHE A 26 18.586 -1.066 1.029 1.00 51.20 C ATOM 383 CZ PHE A 26 19.668 -1.153 0.176 1.00 64.32 C ATOM 0 H PHE A 26 14.839 -5.800 -0.432 1.00 51.12 H new ATOM 0 HA PHE A 26 17.527 -5.471 -1.209 1.00 43.24 H new ATOM 0 HB2 PHE A 26 15.821 -3.665 -1.030 1.00 23.33 H new ATOM 0 HB3 PHE A 26 15.800 -3.858 0.712 1.00 23.33 H new ATOM 0 HD1 PHE A 26 18.695 -3.808 -1.656 1.00 12.33 H new ATOM 0 HD2 PHE A 26 16.698 -1.892 1.583 1.00 23.11 H new ATOM 0 HE1 PHE A 26 20.553 -2.214 -1.455 1.00 44.43 H new ATOM 0 HE2 PHE A 26 18.554 -0.296 1.785 1.00 51.20 H new ATOM 0 HZ PHE A 26 20.483 -0.450 0.262 1.00 64.32 H new ATOM 393 N LEU A 27 17.008 -6.120 1.982 1.00 54.10 N ATOM 394 CA LEU A 27 17.662 -6.539 3.216 1.00 24.32 C ATOM 395 C LEU A 27 18.526 -7.775 2.982 1.00 15.10 C ATOM 396 O LEU A 27 19.687 -7.817 3.385 1.00 23.13 O ATOM 397 CB LEU A 27 16.619 -6.829 4.297 1.00 24.20 C ATOM 398 CG LEU A 27 17.137 -6.870 5.735 1.00 32.53 C ATOM 399 CD1 LEU A 27 15.995 -6.669 6.719 1.00 30.04 C ATOM 400 CD2 LEU A 27 17.852 -8.186 6.007 1.00 11.13 C ATOM 0 H LEU A 27 15.990 -6.086 2.035 1.00 54.10 H new ATOM 0 HA LEU A 27 18.306 -5.726 3.551 1.00 24.32 H new ATOM 0 HB2 LEU A 27 15.839 -6.070 4.234 1.00 24.20 H new ATOM 0 HB3 LEU A 27 16.150 -7.787 4.073 1.00 24.20 H new ATOM 0 HG LEU A 27 17.851 -6.057 5.867 1.00 32.53 H new ATOM 0 HD11 LEU A 27 16.382 -6.701 7.737 1.00 30.04 H new ATOM 0 HD12 LEU A 27 15.526 -5.702 6.540 1.00 30.04 H new ATOM 0 HD13 LEU A 27 15.257 -7.460 6.586 1.00 30.04 H new ATOM 0 HD21 LEU A 27 18.214 -8.198 7.035 1.00 11.13 H new ATOM 0 HD22 LEU A 27 17.159 -9.014 5.857 1.00 11.13 H new ATOM 0 HD23 LEU A 27 18.695 -8.290 5.324 1.00 11.13 H new ATOM 412 N GLU A 28 17.949 -8.777 2.326 1.00 64.32 N ATOM 413 CA GLU A 28 18.668 -10.013 2.037 1.00 75.11 C ATOM 414 C GLU A 28 19.763 -9.776 1.002 1.00 63.34 C ATOM 415 O GLU A 28 20.892 -10.243 1.159 1.00 53.54 O ATOM 416 CB GLU A 28 17.699 -11.086 1.535 1.00 64.24 C ATOM 417 CG GLU A 28 18.183 -12.505 1.780 1.00 22.50 C ATOM 418 CD GLU A 28 17.044 -13.503 1.871 1.00 3.53 C ATOM 419 OE1 GLU A 28 15.886 -13.105 1.628 1.00 10.21 O ATOM 420 OE2 GLU A 28 17.312 -14.681 2.186 1.00 63.12 O ATOM 0 H GLU A 28 16.988 -8.758 1.985 1.00 64.32 H new ATOM 0 HA GLU A 28 19.134 -10.357 2.960 1.00 75.11 H new ATOM 0 HB2 GLU A 28 16.735 -10.950 2.024 1.00 64.24 H new ATOM 0 HB3 GLU A 28 17.537 -10.946 0.466 1.00 64.24 H new ATOM 0 HG2 GLU A 28 18.856 -12.800 0.974 1.00 22.50 H new ATOM 0 HG3 GLU A 28 18.761 -12.533 2.704 1.00 22.50 H new ATOM 427 N SER A 29 19.422 -9.049 -0.057 1.00 53.21 N ATOM 428 CA SER A 29 20.374 -8.753 -1.121 1.00 61.30 C ATOM 429 C SER A 29 21.611 -8.054 -0.564 1.00 72.53 C ATOM 430 O SER A 29 22.736 -8.337 -0.976 1.00 61.41 O ATOM 431 CB SER A 29 19.719 -7.879 -2.192 1.00 63.13 C ATOM 432 OG SER A 29 18.838 -8.638 -3.001 1.00 74.32 O ATOM 0 H SER A 29 18.493 -8.654 -0.201 1.00 53.21 H new ATOM 0 HA SER A 29 20.683 -9.696 -1.571 1.00 61.30 H new ATOM 0 HB2 SER A 29 19.171 -7.065 -1.717 1.00 63.13 H new ATOM 0 HB3 SER A 29 20.489 -7.424 -2.815 1.00 63.13 H new ATOM 0 HG SER A 29 17.960 -8.689 -2.569 1.00 74.32 H new ATOM 438 N PHE A 30 21.393 -7.140 0.375 1.00 44.32 N ATOM 439 CA PHE A 30 22.489 -6.399 0.988 1.00 1.44 C ATOM 440 C PHE A 30 23.357 -7.319 1.842 1.00 43.42 C ATOM 441 O PHE A 30 24.585 -7.266 1.778 1.00 64.32 O ATOM 442 CB PHE A 30 21.942 -5.255 1.845 1.00 5.04 C ATOM 443 CG PHE A 30 22.499 -5.232 3.240 1.00 22.13 C ATOM 444 CD1 PHE A 30 23.808 -4.840 3.472 1.00 53.12 C ATOM 445 CD2 PHE A 30 21.714 -5.603 4.320 1.00 60.51 C ATOM 446 CE1 PHE A 30 24.323 -4.817 4.754 1.00 20.42 C ATOM 447 CE2 PHE A 30 22.224 -5.583 5.604 1.00 13.53 C ATOM 448 CZ PHE A 30 23.530 -5.190 5.822 1.00 61.23 C ATOM 0 H PHE A 30 20.468 -6.895 0.728 1.00 44.32 H new ATOM 0 HA PHE A 30 23.105 -5.984 0.190 1.00 1.44 H new ATOM 0 HB2 PHE A 30 22.167 -4.307 1.357 1.00 5.04 H new ATOM 0 HB3 PHE A 30 20.856 -5.338 1.897 1.00 5.04 H new ATOM 0 HD1 PHE A 30 24.433 -4.549 2.641 1.00 53.12 H new ATOM 0 HD2 PHE A 30 20.692 -5.911 4.156 1.00 60.51 H new ATOM 0 HE1 PHE A 30 25.344 -4.508 4.921 1.00 20.42 H new ATOM 0 HE2 PHE A 30 21.602 -5.875 6.437 1.00 13.53 H new ATOM 0 HZ PHE A 30 23.930 -5.174 6.825 1.00 61.23 H new ATOM 458 N SER A 31 22.709 -8.160 2.641 1.00 64.32 N ATOM 459 CA SER A 31 23.421 -9.089 3.511 1.00 62.32 C ATOM 460 C SER A 31 24.374 -9.967 2.705 1.00 40.23 C ATOM 461 O SER A 31 25.534 -10.144 3.075 1.00 30.01 O ATOM 462 CB SER A 31 22.429 -9.965 4.278 1.00 74.34 C ATOM 463 OG SER A 31 23.050 -10.588 5.388 1.00 23.13 O ATOM 0 H SER A 31 21.693 -8.217 2.704 1.00 64.32 H new ATOM 0 HA SER A 31 24.006 -8.506 4.222 1.00 62.32 H new ATOM 0 HB2 SER A 31 21.591 -9.357 4.620 1.00 74.34 H new ATOM 0 HB3 SER A 31 22.020 -10.725 3.612 1.00 74.34 H new ATOM 0 HG SER A 31 22.394 -11.141 5.862 1.00 23.13 H new ATOM 469 N GLU A 32 23.874 -10.513 1.601 1.00 64.34 N ATOM 470 CA GLU A 32 24.681 -11.373 0.742 1.00 32.14 C ATOM 471 C GLU A 32 25.682 -10.551 -0.065 1.00 33.41 C ATOM 472 O GLU A 32 26.840 -10.941 -0.220 1.00 50.33 O ATOM 473 CB GLU A 32 23.783 -12.175 -0.202 1.00 51.23 C ATOM 474 CG GLU A 32 24.467 -13.389 -0.808 1.00 33.13 C ATOM 475 CD GLU A 32 24.577 -14.544 0.169 1.00 52.12 C ATOM 476 OE1 GLU A 32 23.562 -15.239 0.383 1.00 20.14 O ATOM 477 OE2 GLU A 32 25.679 -14.752 0.718 1.00 31.43 O ATOM 0 H GLU A 32 22.915 -10.376 1.280 1.00 64.34 H new ATOM 0 HA GLU A 32 25.234 -12.063 1.379 1.00 32.14 H new ATOM 0 HB2 GLU A 32 22.897 -12.502 0.343 1.00 51.23 H new ATOM 0 HB3 GLU A 32 23.440 -11.523 -1.005 1.00 51.23 H new ATOM 0 HG2 GLU A 32 23.911 -13.714 -1.688 1.00 33.13 H new ATOM 0 HG3 GLU A 32 25.464 -13.108 -1.147 1.00 33.13 H new ATOM 484 N LEU A 33 25.227 -9.413 -0.577 1.00 71.21 N ATOM 485 CA LEU A 33 26.081 -8.535 -1.369 1.00 62.44 C ATOM 486 C LEU A 33 27.333 -8.145 -0.590 1.00 60.41 C ATOM 487 O LEU A 33 28.425 -8.061 -1.152 1.00 24.41 O ATOM 488 CB LEU A 33 25.312 -7.279 -1.783 1.00 31.54 C ATOM 489 CG LEU A 33 26.106 -6.233 -2.564 1.00 43.44 C ATOM 490 CD1 LEU A 33 26.878 -5.330 -1.615 1.00 3.31 C ATOM 491 CD2 LEU A 33 27.051 -6.906 -3.549 1.00 52.13 C ATOM 0 H LEU A 33 24.271 -9.077 -0.458 1.00 71.21 H new ATOM 0 HA LEU A 33 26.386 -9.077 -2.264 1.00 62.44 H new ATOM 0 HB2 LEU A 33 24.458 -7.583 -2.388 1.00 31.54 H new ATOM 0 HB3 LEU A 33 24.915 -6.808 -0.884 1.00 31.54 H new ATOM 0 HG LEU A 33 25.404 -5.618 -3.127 1.00 43.44 H new ATOM 0 HD11 LEU A 33 27.437 -4.592 -2.190 1.00 3.31 H new ATOM 0 HD12 LEU A 33 26.181 -4.820 -0.950 1.00 3.31 H new ATOM 0 HD13 LEU A 33 27.570 -5.930 -1.024 1.00 3.31 H new ATOM 0 HD21 LEU A 33 27.608 -6.146 -4.096 1.00 52.13 H new ATOM 0 HD22 LEU A 33 27.747 -7.546 -3.006 1.00 52.13 H new ATOM 0 HD23 LEU A 33 26.476 -7.510 -4.251 1.00 52.13 H new ATOM 503 N TYR A 34 27.167 -7.910 0.707 1.00 71.53 N ATOM 504 CA TYR A 34 28.283 -7.529 1.564 1.00 63.44 C ATOM 505 C TYR A 34 29.273 -8.681 1.713 1.00 43.42 C ATOM 506 O TYR A 34 30.479 -8.465 1.838 1.00 31.14 O ATOM 507 CB TYR A 34 27.773 -7.099 2.940 1.00 44.11 C ATOM 508 CG TYR A 34 28.871 -6.930 3.967 1.00 55.25 C ATOM 509 CD1 TYR A 34 29.293 -8.002 4.743 1.00 12.34 C ATOM 510 CD2 TYR A 34 29.484 -5.698 4.160 1.00 20.54 C ATOM 511 CE1 TYR A 34 30.294 -7.852 5.683 1.00 24.01 C ATOM 512 CE2 TYR A 34 30.487 -5.540 5.097 1.00 43.13 C ATOM 513 CZ TYR A 34 30.889 -6.619 5.856 1.00 72.44 C ATOM 514 OH TYR A 34 31.887 -6.465 6.790 1.00 31.23 O ATOM 0 H TYR A 34 26.270 -7.977 1.188 1.00 71.53 H new ATOM 0 HA TYR A 34 28.797 -6.690 1.096 1.00 63.44 H new ATOM 0 HB2 TYR A 34 27.232 -6.158 2.840 1.00 44.11 H new ATOM 0 HB3 TYR A 34 27.060 -7.840 3.302 1.00 44.11 H new ATOM 0 HD1 TYR A 34 28.831 -8.969 4.609 1.00 12.34 H new ATOM 0 HD2 TYR A 34 29.171 -4.850 3.568 1.00 20.54 H new ATOM 0 HE1 TYR A 34 30.609 -8.695 6.279 1.00 24.01 H new ATOM 0 HE2 TYR A 34 30.954 -4.576 5.234 1.00 43.13 H new ATOM 0 HH TYR A 34 32.215 -7.346 7.066 1.00 31.23 H new ATOM 524 N ASP A 35 28.755 -9.903 1.698 1.00 72.55 N ATOM 525 CA ASP A 35 29.592 -11.091 1.829 1.00 14.53 C ATOM 526 C ASP A 35 30.393 -11.335 0.554 1.00 10.43 C ATOM 527 O ASP A 35 31.483 -11.907 0.595 1.00 53.43 O ATOM 528 CB ASP A 35 28.731 -12.314 2.148 1.00 64.30 C ATOM 529 CG ASP A 35 29.108 -12.959 3.468 1.00 53.34 C ATOM 530 OD1 ASP A 35 28.598 -12.508 4.514 1.00 12.43 O ATOM 531 OD2 ASP A 35 29.913 -13.914 3.454 1.00 53.41 O ATOM 0 H ASP A 35 27.759 -10.098 1.596 1.00 72.55 H new ATOM 0 HA ASP A 35 30.291 -10.925 2.649 1.00 14.53 H new ATOM 0 HB2 ASP A 35 27.682 -12.019 2.178 1.00 64.30 H new ATOM 0 HB3 ASP A 35 28.834 -13.046 1.347 1.00 64.30 H new ATOM 536 N ILE A 36 29.846 -10.899 -0.575 1.00 55.51 N ATOM 537 CA ILE A 36 30.510 -11.070 -1.861 1.00 54.12 C ATOM 538 C ILE A 36 31.287 -9.817 -2.250 1.00 12.21 C ATOM 539 O ILE A 36 32.173 -9.864 -3.104 1.00 13.21 O ATOM 540 CB ILE A 36 29.500 -11.401 -2.976 1.00 41.23 C ATOM 541 CG1 ILE A 36 30.212 -11.494 -4.328 1.00 10.05 C ATOM 542 CG2 ILE A 36 28.399 -10.352 -3.023 1.00 3.33 C ATOM 543 CD1 ILE A 36 30.073 -10.246 -5.171 1.00 70.10 C ATOM 0 H ILE A 36 28.944 -10.425 -0.625 1.00 55.51 H new ATOM 0 HA ILE A 36 31.203 -11.904 -1.750 1.00 54.12 H new ATOM 0 HB ILE A 36 29.045 -12.367 -2.758 1.00 41.23 H new ATOM 0 HG12 ILE A 36 31.270 -11.693 -4.159 1.00 10.05 H new ATOM 0 HG13 ILE A 36 29.813 -12.343 -4.882 1.00 10.05 H new ATOM 0 HG21 ILE A 36 27.694 -10.600 -3.816 1.00 3.33 H new ATOM 0 HG22 ILE A 36 27.877 -10.330 -2.067 1.00 3.33 H new ATOM 0 HG23 ILE A 36 28.837 -9.374 -3.220 1.00 3.33 H new ATOM 0 HD11 ILE A 36 30.602 -10.383 -6.114 1.00 70.10 H new ATOM 0 HD12 ILE A 36 29.018 -10.057 -5.371 1.00 70.10 H new ATOM 0 HD13 ILE A 36 30.499 -9.397 -4.637 1.00 70.10 H new ATOM 555 N ILE A 37 30.950 -8.698 -1.617 1.00 22.44 N ATOM 556 CA ILE A 37 31.619 -7.433 -1.894 1.00 74.21 C ATOM 557 C ILE A 37 33.115 -7.529 -1.614 1.00 54.23 C ATOM 558 O ILE A 37 33.899 -6.706 -2.087 1.00 52.11 O ATOM 559 CB ILE A 37 31.023 -6.286 -1.056 1.00 64.31 C ATOM 560 CG1 ILE A 37 31.375 -4.934 -1.680 1.00 75.11 C ATOM 561 CG2 ILE A 37 31.527 -6.361 0.377 1.00 22.05 C ATOM 562 CD1 ILE A 37 30.597 -4.631 -2.942 1.00 11.55 C ATOM 0 H ILE A 37 30.218 -8.642 -0.909 1.00 22.44 H new ATOM 0 HA ILE A 37 31.463 -7.218 -2.951 1.00 74.21 H new ATOM 0 HB ILE A 37 29.938 -6.389 -1.045 1.00 64.31 H new ATOM 0 HG12 ILE A 37 31.189 -4.146 -0.950 1.00 75.11 H new ATOM 0 HG13 ILE A 37 32.441 -4.914 -1.906 1.00 75.11 H new ATOM 0 HG21 ILE A 37 31.097 -5.544 0.957 1.00 22.05 H new ATOM 0 HG22 ILE A 37 31.231 -7.313 0.817 1.00 22.05 H new ATOM 0 HG23 ILE A 37 32.614 -6.279 0.385 1.00 22.05 H new ATOM 0 HD11 ILE A 37 30.897 -3.658 -3.330 1.00 11.55 H new ATOM 0 HD12 ILE A 37 30.802 -5.398 -3.689 1.00 11.55 H new ATOM 0 HD13 ILE A 37 29.530 -4.619 -2.718 1.00 11.55 H new ATOM 574 N ASP A 38 33.503 -8.539 -0.845 1.00 23.34 N ATOM 575 CA ASP A 38 34.906 -8.745 -0.504 1.00 22.12 C ATOM 576 C ASP A 38 35.714 -9.136 -1.738 1.00 14.42 C ATOM 577 O ASP A 38 36.912 -8.867 -1.817 1.00 53.13 O ATOM 578 CB ASP A 38 35.039 -9.825 0.571 1.00 71.53 C ATOM 579 CG ASP A 38 36.368 -9.759 1.297 1.00 31.32 C ATOM 580 OD1 ASP A 38 37.391 -10.156 0.701 1.00 61.13 O ATOM 581 OD2 ASP A 38 36.385 -9.310 2.462 1.00 1.10 O ATOM 0 H ASP A 38 32.866 -9.228 -0.446 1.00 23.34 H new ATOM 0 HA ASP A 38 35.301 -7.806 -0.116 1.00 22.12 H new ATOM 0 HB2 ASP A 38 34.229 -9.717 1.292 1.00 71.53 H new ATOM 0 HB3 ASP A 38 34.928 -10.807 0.111 1.00 71.53 H new ATOM 586 N GLU A 39 35.048 -9.772 -2.697 1.00 4.00 N ATOM 587 CA GLU A 39 35.706 -10.201 -3.926 1.00 13.01 C ATOM 588 C GLU A 39 36.053 -9.002 -4.804 1.00 61.31 C ATOM 589 O GLU A 39 35.716 -7.864 -4.480 1.00 64.25 O ATOM 590 CB GLU A 39 34.809 -11.170 -4.699 1.00 32.34 C ATOM 591 CG GLU A 39 34.646 -12.521 -4.021 1.00 43.33 C ATOM 592 CD GLU A 39 35.943 -13.305 -3.966 1.00 73.41 C ATOM 593 OE1 GLU A 39 36.423 -13.736 -5.036 1.00 14.55 O ATOM 594 OE2 GLU A 39 36.477 -13.489 -2.852 1.00 44.23 O ATOM 0 H GLU A 39 34.055 -10.001 -2.647 1.00 4.00 H new ATOM 0 HA GLU A 39 36.630 -10.711 -3.654 1.00 13.01 H new ATOM 0 HB2 GLU A 39 33.826 -10.717 -4.829 1.00 32.34 H new ATOM 0 HB3 GLU A 39 35.225 -11.321 -5.695 1.00 32.34 H new ATOM 0 HG2 GLU A 39 34.272 -12.372 -3.008 1.00 43.33 H new ATOM 0 HG3 GLU A 39 33.896 -13.104 -4.555 1.00 43.33 H new ATOM 601 N ASN A 40 36.730 -9.268 -5.917 1.00 14.21 N ATOM 602 CA ASN A 40 37.124 -8.212 -6.842 1.00 2.51 C ATOM 603 C ASN A 40 37.074 -8.705 -8.285 1.00 34.03 C ATOM 604 O ASN A 40 37.674 -8.107 -9.178 1.00 11.34 O ATOM 605 CB ASN A 40 38.533 -7.714 -6.510 1.00 73.52 C ATOM 606 CG ASN A 40 38.861 -6.404 -7.200 1.00 32.31 C ATOM 607 OD1 ASN A 40 39.676 -6.362 -8.121 1.00 62.22 O ATOM 608 ND2 ASN A 40 38.225 -5.326 -6.755 1.00 61.52 N ATOM 0 H ASN A 40 37.017 -10.205 -6.200 1.00 14.21 H new ATOM 0 HA ASN A 40 36.419 -7.388 -6.734 1.00 2.51 H new ATOM 0 HB2 ASN A 40 38.626 -7.586 -5.431 1.00 73.52 H new ATOM 0 HB3 ASN A 40 39.261 -8.469 -6.805 1.00 73.52 H new ATOM 0 HD21 ASN A 40 38.405 -4.416 -7.180 1.00 61.52 H new ATOM 0 HD22 ASN A 40 37.557 -5.408 -5.988 1.00 61.52 H new ATOM 615 N ASP A 41 36.353 -9.799 -8.505 1.00 30.12 N ATOM 616 CA ASP A 41 36.222 -10.373 -9.839 1.00 50.42 C ATOM 617 C ASP A 41 34.924 -9.920 -10.500 1.00 74.30 C ATOM 618 O ASP A 41 33.868 -9.893 -9.866 1.00 51.33 O ATOM 619 CB ASP A 41 36.267 -11.900 -9.768 1.00 5.31 C ATOM 620 CG ASP A 41 37.684 -12.439 -9.794 1.00 3.42 C ATOM 621 OD1 ASP A 41 38.239 -12.594 -10.901 1.00 62.15 O ATOM 622 OD2 ASP A 41 38.238 -12.706 -8.707 1.00 10.45 O ATOM 0 H ASP A 41 35.850 -10.306 -7.777 1.00 30.12 H new ATOM 0 HA ASP A 41 37.059 -10.021 -10.443 1.00 50.42 H new ATOM 0 HB2 ASP A 41 35.771 -12.233 -8.856 1.00 5.31 H new ATOM 0 HB3 ASP A 41 35.707 -12.316 -10.606 1.00 5.31 H new ATOM 627 N THR A 42 35.008 -9.565 -11.778 1.00 44.13 N ATOM 628 CA THR A 42 33.842 -9.112 -12.525 1.00 14.43 C ATOM 629 C THR A 42 32.885 -10.265 -12.804 1.00 20.34 C ATOM 630 O THR A 42 31.674 -10.070 -12.902 1.00 54.33 O ATOM 631 CB THR A 42 34.247 -8.461 -13.861 1.00 22.51 C ATOM 632 OG1 THR A 42 34.859 -9.435 -14.714 1.00 21.42 O ATOM 633 CG2 THR A 42 35.209 -7.306 -13.630 1.00 43.14 C ATOM 0 H THR A 42 35.873 -9.583 -12.318 1.00 44.13 H new ATOM 0 HA THR A 42 33.340 -8.369 -11.905 1.00 14.43 H new ATOM 0 HB THR A 42 33.347 -8.073 -14.339 1.00 22.51 H new ATOM 0 HG1 THR A 42 35.112 -9.014 -15.562 1.00 21.42 H new ATOM 0 HG21 THR A 42 35.481 -6.862 -14.588 1.00 43.14 H new ATOM 0 HG22 THR A 42 34.730 -6.553 -13.004 1.00 43.14 H new ATOM 0 HG23 THR A 42 36.106 -7.674 -13.133 1.00 43.14 H new ATOM 641 N ASP A 43 33.436 -11.467 -12.929 1.00 23.40 N ATOM 642 CA ASP A 43 32.631 -12.654 -13.195 1.00 0.21 C ATOM 643 C ASP A 43 31.713 -12.963 -12.016 1.00 42.02 C ATOM 644 O ASP A 43 30.521 -13.214 -12.193 1.00 62.34 O ATOM 645 CB ASP A 43 33.533 -13.855 -13.483 1.00 44.43 C ATOM 646 CG ASP A 43 32.878 -14.862 -14.407 1.00 63.33 C ATOM 647 OD1 ASP A 43 31.661 -14.736 -14.655 1.00 0.02 O ATOM 648 OD2 ASP A 43 33.583 -15.778 -14.882 1.00 53.13 O ATOM 0 H ASP A 43 34.437 -11.646 -12.850 1.00 23.40 H new ATOM 0 HA ASP A 43 32.014 -12.455 -14.071 1.00 0.21 H new ATOM 0 HB2 ASP A 43 34.464 -13.507 -13.931 1.00 44.43 H new ATOM 0 HB3 ASP A 43 33.794 -14.343 -12.544 1.00 44.43 H new ATOM 653 N VAL A 44 32.277 -12.944 -10.813 1.00 1.34 N ATOM 654 CA VAL A 44 31.510 -13.222 -9.604 1.00 51.24 C ATOM 655 C VAL A 44 30.528 -12.094 -9.305 1.00 62.50 C ATOM 656 O VAL A 44 29.400 -12.337 -8.877 1.00 24.53 O ATOM 657 CB VAL A 44 32.432 -13.421 -8.387 1.00 64.22 C ATOM 658 CG1 VAL A 44 33.300 -12.191 -8.168 1.00 23.44 C ATOM 659 CG2 VAL A 44 31.613 -13.735 -7.144 1.00 44.32 C ATOM 0 H VAL A 44 33.263 -12.739 -10.649 1.00 1.34 H new ATOM 0 HA VAL A 44 30.957 -14.144 -9.785 1.00 51.24 H new ATOM 0 HB VAL A 44 33.088 -14.268 -8.585 1.00 64.22 H new ATOM 0 HG11 VAL A 44 33.945 -12.350 -7.304 1.00 23.44 H new ATOM 0 HG12 VAL A 44 33.914 -12.017 -9.052 1.00 23.44 H new ATOM 0 HG13 VAL A 44 32.664 -11.324 -7.991 1.00 23.44 H new ATOM 0 HG21 VAL A 44 32.281 -13.873 -6.294 1.00 44.32 H new ATOM 0 HG22 VAL A 44 30.931 -12.910 -6.940 1.00 44.32 H new ATOM 0 HG23 VAL A 44 31.040 -14.648 -7.307 1.00 44.32 H new ATOM 669 N MET A 45 30.965 -10.860 -9.534 1.00 61.40 N ATOM 670 CA MET A 45 30.124 -9.695 -9.290 1.00 54.33 C ATOM 671 C MET A 45 28.984 -9.626 -10.302 1.00 12.12 C ATOM 672 O MET A 45 27.837 -9.360 -9.942 1.00 25.33 O ATOM 673 CB MET A 45 30.958 -8.414 -9.357 1.00 12.14 C ATOM 674 CG MET A 45 31.480 -7.958 -8.004 1.00 30.12 C ATOM 675 SD MET A 45 31.764 -6.179 -7.933 1.00 23.05 S ATOM 676 CE MET A 45 30.105 -5.584 -7.615 1.00 3.53 C ATOM 0 H MET A 45 31.896 -10.642 -9.888 1.00 61.40 H new ATOM 0 HA MET A 45 29.696 -9.790 -8.292 1.00 54.33 H new ATOM 0 HB2 MET A 45 31.802 -8.574 -10.028 1.00 12.14 H new ATOM 0 HB3 MET A 45 30.353 -7.618 -9.791 1.00 12.14 H new ATOM 0 HG2 MET A 45 30.766 -8.239 -7.230 1.00 30.12 H new ATOM 0 HG3 MET A 45 32.411 -8.480 -7.784 1.00 30.12 H new ATOM 0 HE1 MET A 45 30.124 -4.501 -7.491 1.00 3.53 H new ATOM 0 HE2 MET A 45 29.459 -5.842 -8.454 1.00 3.53 H new ATOM 0 HE3 MET A 45 29.721 -6.046 -6.706 1.00 3.53 H new ATOM 686 N MET A 46 29.307 -9.867 -11.568 1.00 42.42 N ATOM 687 CA MET A 46 28.309 -9.833 -12.631 1.00 42.40 C ATOM 688 C MET A 46 27.325 -10.989 -12.490 1.00 30.41 C ATOM 689 O MET A 46 26.133 -10.839 -12.760 1.00 63.33 O ATOM 690 CB MET A 46 28.989 -9.890 -14.000 1.00 61.33 C ATOM 691 CG MET A 46 29.461 -11.283 -14.386 1.00 54.15 C ATOM 692 SD MET A 46 30.172 -11.341 -16.042 1.00 44.01 S ATOM 693 CE MET A 46 31.604 -10.285 -15.833 1.00 14.45 C ATOM 0 H MET A 46 30.252 -10.088 -11.883 1.00 42.42 H new ATOM 0 HA MET A 46 27.756 -8.897 -12.547 1.00 42.40 H new ATOM 0 HB2 MET A 46 28.294 -9.528 -14.757 1.00 61.33 H new ATOM 0 HB3 MET A 46 29.843 -9.213 -14.001 1.00 61.33 H new ATOM 0 HG2 MET A 46 30.203 -11.624 -13.664 1.00 54.15 H new ATOM 0 HG3 MET A 46 28.621 -11.975 -14.331 1.00 54.15 H new ATOM 0 HE1 MET A 46 31.888 -9.862 -16.797 1.00 14.45 H new ATOM 0 HE2 MET A 46 31.364 -9.479 -15.139 1.00 14.45 H new ATOM 0 HE3 MET A 46 32.433 -10.871 -15.436 1.00 14.45 H new ATOM 703 N ASP A 47 27.831 -12.142 -12.066 1.00 32.15 N ATOM 704 CA ASP A 47 26.996 -13.324 -11.888 1.00 33.32 C ATOM 705 C ASP A 47 26.057 -13.152 -10.698 1.00 34.40 C ATOM 706 O ASP A 47 24.883 -13.519 -10.762 1.00 50.10 O ATOM 707 CB ASP A 47 27.867 -14.566 -11.690 1.00 42.45 C ATOM 708 CG ASP A 47 27.048 -15.808 -11.403 1.00 70.41 C ATOM 709 OD1 ASP A 47 26.601 -16.461 -12.370 1.00 3.44 O ATOM 710 OD2 ASP A 47 26.853 -16.128 -10.212 1.00 33.44 O ATOM 0 H ASP A 47 28.815 -12.283 -11.839 1.00 32.15 H new ATOM 0 HA ASP A 47 26.394 -13.451 -12.788 1.00 33.32 H new ATOM 0 HB2 ASP A 47 28.469 -14.730 -12.584 1.00 42.45 H new ATOM 0 HB3 ASP A 47 28.560 -14.393 -10.866 1.00 42.45 H new ATOM 715 N PHE A 48 26.581 -12.594 -9.612 1.00 44.34 N ATOM 716 CA PHE A 48 25.791 -12.375 -8.407 1.00 33.12 C ATOM 717 C PHE A 48 24.762 -11.269 -8.624 1.00 5.21 C ATOM 718 O PHE A 48 23.595 -11.412 -8.258 1.00 43.54 O ATOM 719 CB PHE A 48 26.702 -12.016 -7.232 1.00 24.14 C ATOM 720 CG PHE A 48 25.962 -11.471 -6.044 1.00 4.33 C ATOM 721 CD1 PHE A 48 25.486 -12.320 -5.058 1.00 51.20 C ATOM 722 CD2 PHE A 48 25.743 -10.109 -5.913 1.00 51.22 C ATOM 723 CE1 PHE A 48 24.805 -11.821 -3.963 1.00 71.14 C ATOM 724 CE2 PHE A 48 25.063 -9.604 -4.821 1.00 21.42 C ATOM 725 CZ PHE A 48 24.592 -10.462 -3.845 1.00 44.43 C ATOM 0 H PHE A 48 27.551 -12.285 -9.542 1.00 44.34 H new ATOM 0 HA PHE A 48 25.261 -13.300 -8.178 1.00 33.12 H new ATOM 0 HB2 PHE A 48 27.257 -12.904 -6.928 1.00 24.14 H new ATOM 0 HB3 PHE A 48 27.435 -11.280 -7.563 1.00 24.14 H new ATOM 0 HD1 PHE A 48 25.649 -13.384 -5.146 1.00 51.20 H new ATOM 0 HD2 PHE A 48 26.108 -9.434 -6.673 1.00 51.22 H new ATOM 0 HE1 PHE A 48 24.440 -12.494 -3.201 1.00 71.14 H new ATOM 0 HE2 PHE A 48 24.900 -8.540 -4.730 1.00 21.42 H new ATOM 0 HZ PHE A 48 24.058 -10.070 -2.992 1.00 44.43 H new ATOM 735 N ILE A 49 25.205 -10.167 -9.220 1.00 51.02 N ATOM 736 CA ILE A 49 24.324 -9.037 -9.486 1.00 52.35 C ATOM 737 C ILE A 49 23.204 -9.427 -10.446 1.00 2.44 C ATOM 738 O ILE A 49 22.033 -9.139 -10.198 1.00 60.34 O ATOM 739 CB ILE A 49 25.100 -7.845 -10.078 1.00 73.22 C ATOM 740 CG1 ILE A 49 25.502 -6.870 -8.970 1.00 43.11 C ATOM 741 CG2 ILE A 49 24.262 -7.139 -11.134 1.00 21.40 C ATOM 742 CD1 ILE A 49 26.803 -7.233 -8.288 1.00 74.51 C ATOM 0 H ILE A 49 26.168 -10.033 -9.528 1.00 51.02 H new ATOM 0 HA ILE A 49 23.893 -8.741 -8.530 1.00 52.35 H new ATOM 0 HB ILE A 49 26.007 -8.220 -10.553 1.00 73.22 H new ATOM 0 HG12 ILE A 49 25.590 -5.869 -9.392 1.00 43.11 H new ATOM 0 HG13 ILE A 49 24.708 -6.833 -8.224 1.00 43.11 H new ATOM 0 HG21 ILE A 49 24.824 -6.299 -11.543 1.00 21.40 H new ATOM 0 HG22 ILE A 49 24.021 -7.838 -11.935 1.00 21.40 H new ATOM 0 HG23 ILE A 49 23.340 -6.773 -10.682 1.00 21.40 H new ATOM 0 HD11 ILE A 49 27.025 -6.498 -7.514 1.00 74.51 H new ATOM 0 HD12 ILE A 49 26.714 -8.221 -7.836 1.00 74.51 H new ATOM 0 HD13 ILE A 49 27.609 -7.242 -9.022 1.00 74.51 H new ATOM 754 N SER A 50 23.572 -10.084 -11.540 1.00 64.24 N ATOM 755 CA SER A 50 22.599 -10.512 -12.538 1.00 64.55 C ATOM 756 C SER A 50 21.615 -11.514 -11.942 1.00 54.25 C ATOM 757 O SER A 50 20.425 -11.496 -12.260 1.00 44.32 O ATOM 758 CB SER A 50 23.311 -11.134 -13.741 1.00 62.35 C ATOM 759 OG SER A 50 22.427 -11.276 -14.840 1.00 1.11 O ATOM 0 H SER A 50 24.537 -10.332 -11.758 1.00 64.24 H new ATOM 0 HA SER A 50 22.043 -9.634 -12.867 1.00 64.55 H new ATOM 0 HB2 SER A 50 24.157 -10.510 -14.029 1.00 62.35 H new ATOM 0 HB3 SER A 50 23.713 -12.109 -13.465 1.00 62.35 H new ATOM 0 HG SER A 50 22.907 -11.674 -15.596 1.00 1.11 H new ATOM 765 N ARG A 51 22.119 -12.387 -11.076 1.00 42.45 N ATOM 766 CA ARG A 51 21.286 -13.397 -10.436 1.00 55.23 C ATOM 767 C ARG A 51 20.412 -12.773 -9.352 1.00 31.12 C ATOM 768 O ARG A 51 19.310 -13.249 -9.078 1.00 12.12 O ATOM 769 CB ARG A 51 22.157 -14.500 -9.833 1.00 12.14 C ATOM 770 CG ARG A 51 22.530 -15.591 -10.822 1.00 62.25 C ATOM 771 CD ARG A 51 23.754 -16.367 -10.361 1.00 31.13 C ATOM 772 NE ARG A 51 23.532 -17.810 -10.396 1.00 22.24 N ATOM 773 CZ ARG A 51 22.865 -18.474 -9.458 1.00 62.12 C ATOM 774 NH1 ARG A 51 22.357 -17.828 -8.418 1.00 52.21 N ATOM 775 NH2 ARG A 51 22.705 -19.787 -9.560 1.00 61.44 N ATOM 0 H ARG A 51 23.101 -12.415 -10.802 1.00 42.45 H new ATOM 0 HA ARG A 51 20.637 -13.832 -11.196 1.00 55.23 H new ATOM 0 HB2 ARG A 51 23.069 -14.054 -9.436 1.00 12.14 H new ATOM 0 HB3 ARG A 51 21.629 -14.949 -8.992 1.00 12.14 H new ATOM 0 HG2 ARG A 51 21.690 -16.274 -10.945 1.00 62.25 H new ATOM 0 HG3 ARG A 51 22.726 -15.147 -11.798 1.00 62.25 H new ATOM 0 HD2 ARG A 51 24.603 -16.115 -10.996 1.00 31.13 H new ATOM 0 HD3 ARG A 51 24.014 -16.065 -9.347 1.00 31.13 H new ATOM 0 HE ARG A 51 23.910 -18.337 -11.184 1.00 22.24 H new ATOM 0 HH11 ARG A 51 22.478 -16.818 -8.336 1.00 52.21 H new ATOM 0 HH12 ARG A 51 21.845 -18.340 -7.700 1.00 52.21 H new ATOM 0 HH21 ARG A 51 23.094 -20.288 -10.359 1.00 61.44 H new ATOM 0 HH22 ARG A 51 22.193 -20.296 -8.839 1.00 61.44 H new ATOM 789 N PHE A 52 20.912 -11.706 -8.738 1.00 33.05 N ATOM 790 CA PHE A 52 20.178 -11.018 -7.682 1.00 11.11 C ATOM 791 C PHE A 52 19.304 -9.909 -8.261 1.00 2.12 C ATOM 792 O PHE A 52 18.458 -9.345 -7.568 1.00 3.25 O ATOM 793 CB PHE A 52 21.149 -10.433 -6.654 1.00 60.41 C ATOM 794 CG PHE A 52 21.417 -11.349 -5.494 1.00 63.33 C ATOM 795 CD1 PHE A 52 21.650 -12.700 -5.700 1.00 40.43 C ATOM 796 CD2 PHE A 52 21.437 -10.860 -4.198 1.00 43.02 C ATOM 797 CE1 PHE A 52 21.896 -13.545 -4.635 1.00 3.43 C ATOM 798 CE2 PHE A 52 21.683 -11.700 -3.129 1.00 25.14 C ATOM 799 CZ PHE A 52 21.914 -13.044 -3.347 1.00 63.14 C ATOM 0 H PHE A 52 21.822 -11.299 -8.953 1.00 33.05 H new ATOM 0 HA PHE A 52 19.533 -11.745 -7.189 1.00 11.11 H new ATOM 0 HB2 PHE A 52 22.092 -10.200 -7.148 1.00 60.41 H new ATOM 0 HB3 PHE A 52 20.745 -9.493 -6.279 1.00 60.41 H new ATOM 0 HD1 PHE A 52 21.639 -13.096 -6.705 1.00 40.43 H new ATOM 0 HD2 PHE A 52 21.258 -9.810 -4.021 1.00 43.02 H new ATOM 0 HE1 PHE A 52 22.074 -14.596 -4.809 1.00 3.43 H new ATOM 0 HE2 PHE A 52 21.695 -11.306 -2.124 1.00 25.14 H new ATOM 0 HZ PHE A 52 22.108 -13.702 -2.513 1.00 63.14 H new ATOM 809 N ALA A 53 19.516 -9.602 -9.536 1.00 43.23 N ATOM 810 CA ALA A 53 18.748 -8.562 -10.210 1.00 1.04 C ATOM 811 C ALA A 53 17.874 -9.152 -11.311 1.00 40.43 C ATOM 812 O ALA A 53 17.632 -10.358 -11.346 1.00 32.15 O ATOM 813 CB ALA A 53 19.680 -7.504 -10.782 1.00 20.21 C ATOM 0 H ALA A 53 20.214 -10.059 -10.124 1.00 43.23 H new ATOM 0 HA ALA A 53 18.094 -8.094 -9.475 1.00 1.04 H new ATOM 0 HB1 ALA A 53 19.093 -6.734 -11.282 1.00 20.21 H new ATOM 0 HB2 ALA A 53 20.257 -7.053 -9.975 1.00 20.21 H new ATOM 0 HB3 ALA A 53 20.358 -7.966 -11.499 1.00 20.21 H new ATOM 819 N ARG A 54 17.403 -8.293 -12.210 1.00 12.14 N ATOM 820 CA ARG A 54 16.554 -8.729 -13.312 1.00 33.25 C ATOM 821 C ARG A 54 15.169 -9.126 -12.807 1.00 42.41 C ATOM 822 O ARG A 54 14.710 -10.245 -13.035 1.00 73.14 O ATOM 823 CB ARG A 54 17.198 -9.908 -14.044 1.00 51.52 C ATOM 824 CG ARG A 54 16.796 -10.008 -15.507 1.00 23.44 C ATOM 825 CD ARG A 54 17.806 -10.816 -16.307 1.00 42.32 C ATOM 826 NE ARG A 54 17.583 -12.253 -16.179 1.00 20.32 N ATOM 827 CZ ARG A 54 18.126 -13.156 -16.987 1.00 63.43 C ATOM 828 NH1 ARG A 54 18.921 -12.773 -17.977 1.00 13.41 N ATOM 829 NH2 ARG A 54 17.876 -14.447 -16.806 1.00 54.23 N ATOM 0 H ARG A 54 17.595 -7.291 -12.196 1.00 12.14 H new ATOM 0 HA ARG A 54 16.444 -7.895 -14.005 1.00 33.25 H new ATOM 0 HB2 ARG A 54 18.282 -9.817 -13.979 1.00 51.52 H new ATOM 0 HB3 ARG A 54 16.925 -10.833 -13.537 1.00 51.52 H new ATOM 0 HG2 ARG A 54 15.813 -10.473 -15.585 1.00 23.44 H new ATOM 0 HG3 ARG A 54 16.710 -9.008 -15.931 1.00 23.44 H new ATOM 0 HD2 ARG A 54 17.746 -10.532 -17.358 1.00 42.32 H new ATOM 0 HD3 ARG A 54 18.813 -10.574 -15.968 1.00 42.32 H new ATOM 0 HE ARG A 54 16.977 -12.582 -15.427 1.00 20.32 H new ATOM 0 HH11 ARG A 54 19.117 -11.782 -18.120 1.00 13.41 H new ATOM 0 HH12 ARG A 54 19.337 -13.469 -18.596 1.00 13.41 H new ATOM 0 HH21 ARG A 54 17.266 -14.747 -16.045 1.00 54.23 H new ATOM 0 HH22 ARG A 54 18.294 -15.139 -17.428 1.00 54.23 H new ATOM 843 N THR A 55 14.508 -8.200 -12.119 1.00 41.20 N ATOM 844 CA THR A 55 13.178 -8.452 -11.581 1.00 34.43 C ATOM 845 C THR A 55 12.113 -7.699 -12.370 1.00 0.11 C ATOM 846 O THR A 55 11.375 -8.291 -13.157 1.00 34.52 O ATOM 847 CB THR A 55 13.085 -8.046 -10.098 1.00 10.21 C ATOM 848 OG1 THR A 55 13.430 -6.664 -9.946 1.00 71.42 O ATOM 849 CG2 THR A 55 14.008 -8.901 -9.244 1.00 25.24 C ATOM 0 H THR A 55 14.873 -7.268 -11.922 1.00 41.20 H new ATOM 0 HA THR A 55 13.001 -9.524 -11.668 1.00 34.43 H new ATOM 0 HB THR A 55 12.059 -8.203 -9.765 1.00 10.21 H new ATOM 0 HG1 THR A 55 13.367 -6.413 -9.001 1.00 71.42 H new ATOM 0 HG21 THR A 55 13.925 -8.596 -8.201 1.00 25.24 H new ATOM 0 HG22 THR A 55 13.724 -9.949 -9.339 1.00 25.24 H new ATOM 0 HG23 THR A 55 15.037 -8.772 -9.579 1.00 25.24 H new ATOM 857 N ASP A 56 12.040 -6.390 -12.155 1.00 71.01 N ATOM 858 CA ASP A 56 11.066 -5.555 -12.848 1.00 40.33 C ATOM 859 C ASP A 56 11.163 -4.106 -12.382 1.00 3.43 C ATOM 860 O ASP A 56 12.105 -3.731 -11.684 1.00 12.41 O ATOM 861 CB ASP A 56 9.650 -6.085 -12.615 1.00 43.45 C ATOM 862 CG ASP A 56 8.887 -6.286 -13.910 1.00 2.51 C ATOM 863 OD1 ASP A 56 9.508 -6.718 -14.903 1.00 60.50 O ATOM 864 OD2 ASP A 56 7.669 -6.009 -13.930 1.00 63.12 O ATOM 0 H ASP A 56 12.644 -5.884 -11.507 1.00 71.01 H new ATOM 0 HA ASP A 56 11.288 -5.590 -13.915 1.00 40.33 H new ATOM 0 HB2 ASP A 56 9.703 -7.032 -12.077 1.00 43.45 H new ATOM 0 HB3 ASP A 56 9.104 -5.388 -11.979 1.00 43.45 H new ATOM 869 N GLU A 57 10.184 -3.296 -12.773 1.00 61.13 N ATOM 870 CA GLU A 57 10.162 -1.888 -12.396 1.00 55.33 C ATOM 871 C GLU A 57 9.119 -1.632 -11.311 1.00 44.44 C ATOM 872 O GLU A 57 8.642 -2.563 -10.663 1.00 10.15 O ATOM 873 CB GLU A 57 9.867 -1.014 -13.618 1.00 22.42 C ATOM 874 CG GLU A 57 8.430 -1.109 -14.101 1.00 52.43 C ATOM 875 CD GLU A 57 8.277 -0.712 -15.557 1.00 13.12 C ATOM 876 OE1 GLU A 57 9.134 -1.108 -16.374 1.00 3.44 O ATOM 877 OE2 GLU A 57 7.298 -0.005 -15.879 1.00 23.53 O ATOM 0 H GLU A 57 9.396 -3.591 -13.350 1.00 61.13 H new ATOM 0 HA GLU A 57 11.144 -1.629 -12.001 1.00 55.33 H new ATOM 0 HB2 GLU A 57 10.092 0.024 -13.374 1.00 22.42 H new ATOM 0 HB3 GLU A 57 10.534 -1.302 -14.430 1.00 22.42 H new ATOM 0 HG2 GLU A 57 8.072 -2.130 -13.967 1.00 52.43 H new ATOM 0 HG3 GLU A 57 7.800 -0.467 -13.485 1.00 52.43 H new ATOM 884 N ILE A 58 8.772 -0.363 -11.120 1.00 63.34 N ATOM 885 CA ILE A 58 7.787 0.015 -10.115 1.00 41.51 C ATOM 886 C ILE A 58 6.463 0.406 -10.763 1.00 31.31 C ATOM 887 O ILE A 58 6.426 1.232 -11.674 1.00 12.32 O ATOM 888 CB ILE A 58 8.287 1.187 -9.250 1.00 4.21 C ATOM 889 CG1 ILE A 58 9.019 2.214 -10.117 1.00 53.10 C ATOM 890 CG2 ILE A 58 9.197 0.677 -8.142 1.00 43.15 C ATOM 891 CD1 ILE A 58 10.501 1.945 -10.252 1.00 70.31 C ATOM 0 H ILE A 58 9.158 0.420 -11.648 1.00 63.34 H new ATOM 0 HA ILE A 58 7.635 -0.857 -9.479 1.00 41.51 H new ATOM 0 HB ILE A 58 7.426 1.674 -8.792 1.00 4.21 H new ATOM 0 HG12 ILE A 58 8.568 2.226 -11.109 1.00 53.10 H new ATOM 0 HG13 ILE A 58 8.876 3.206 -9.689 1.00 53.10 H new ATOM 0 HG21 ILE A 58 9.542 1.517 -7.539 1.00 43.15 H new ATOM 0 HG22 ILE A 58 8.646 -0.020 -7.511 1.00 43.15 H new ATOM 0 HG23 ILE A 58 10.055 0.169 -8.581 1.00 43.15 H new ATOM 0 HD11 ILE A 58 10.954 2.712 -10.880 1.00 70.31 H new ATOM 0 HD12 ILE A 58 10.965 1.962 -9.266 1.00 70.31 H new ATOM 0 HD13 ILE A 58 10.653 0.967 -10.708 1.00 70.31 H new ATOM 903 N MET A 59 5.377 -0.194 -10.285 1.00 3.20 N ATOM 904 CA MET A 59 4.050 0.094 -10.816 1.00 32.42 C ATOM 905 C MET A 59 3.537 1.434 -10.300 1.00 52.53 C ATOM 906 O MET A 59 4.069 2.005 -9.348 1.00 13.03 O ATOM 907 CB MET A 59 3.073 -1.020 -10.435 1.00 34.13 C ATOM 908 CG MET A 59 2.768 -1.978 -11.575 1.00 52.33 C ATOM 909 SD MET A 59 2.588 -3.684 -11.020 1.00 52.25 S ATOM 910 CE MET A 59 2.363 -4.527 -12.585 1.00 11.42 C ATOM 0 H MET A 59 5.390 -0.882 -9.532 1.00 3.20 H new ATOM 0 HA MET A 59 4.124 0.147 -11.902 1.00 32.42 H new ATOM 0 HB2 MET A 59 3.486 -1.584 -9.598 1.00 34.13 H new ATOM 0 HB3 MET A 59 2.142 -0.572 -10.089 1.00 34.13 H new ATOM 0 HG2 MET A 59 1.851 -1.663 -12.073 1.00 52.33 H new ATOM 0 HG3 MET A 59 3.567 -1.923 -12.314 1.00 52.33 H new ATOM 0 HE1 MET A 59 2.238 -5.595 -12.408 1.00 11.42 H new ATOM 0 HE2 MET A 59 1.477 -4.136 -13.085 1.00 11.42 H new ATOM 0 HE3 MET A 59 3.237 -4.364 -13.215 1.00 11.42 H new ATOM 920 N PRO A 60 2.479 1.951 -10.943 1.00 11.21 N ATOM 921 CA PRO A 60 1.871 3.231 -10.566 1.00 63.10 C ATOM 922 C PRO A 60 1.145 3.156 -9.227 1.00 61.23 C ATOM 923 O PRO A 60 0.834 4.181 -8.622 1.00 20.10 O ATOM 924 CB PRO A 60 0.878 3.499 -11.699 1.00 53.11 C ATOM 925 CG PRO A 60 0.547 2.151 -12.240 1.00 34.13 C ATOM 926 CD PRO A 60 1.794 1.326 -12.087 1.00 22.43 C ATOM 0 HA PRO A 60 2.617 4.016 -10.440 1.00 63.10 H new ATOM 0 HB2 PRO A 60 -0.013 4.008 -11.332 1.00 53.11 H new ATOM 0 HB3 PRO A 60 1.316 4.137 -12.467 1.00 53.11 H new ATOM 0 HG2 PRO A 60 -0.285 1.705 -11.695 1.00 34.13 H new ATOM 0 HG3 PRO A 60 0.246 2.213 -13.286 1.00 34.13 H new ATOM 0 HD2 PRO A 60 1.562 0.279 -11.893 1.00 22.43 H new ATOM 0 HD3 PRO A 60 2.408 1.355 -12.987 1.00 22.43 H new ATOM 934 N GLU A 61 0.879 1.936 -8.771 1.00 74.23 N ATOM 935 CA GLU A 61 0.188 1.729 -7.504 1.00 24.24 C ATOM 936 C GLU A 61 1.176 1.726 -6.340 1.00 62.55 C ATOM 937 O GLU A 61 0.794 1.926 -5.187 1.00 63.13 O ATOM 938 CB GLU A 61 -0.589 0.411 -7.530 1.00 55.42 C ATOM 939 CG GLU A 61 0.285 -0.816 -7.339 1.00 5.04 C ATOM 940 CD GLU A 61 -0.349 -2.077 -7.892 1.00 34.13 C ATOM 941 OE1 GLU A 61 -0.679 -2.097 -9.096 1.00 32.11 O ATOM 942 OE2 GLU A 61 -0.516 -3.044 -7.119 1.00 71.45 O ATOM 0 H GLU A 61 1.131 1.077 -9.260 1.00 74.23 H new ATOM 0 HA GLU A 61 -0.512 2.552 -7.363 1.00 24.24 H new ATOM 0 HB2 GLU A 61 -1.348 0.431 -6.748 1.00 55.42 H new ATOM 0 HB3 GLU A 61 -1.114 0.328 -8.481 1.00 55.42 H new ATOM 0 HG2 GLU A 61 1.245 -0.653 -7.828 1.00 5.04 H new ATOM 0 HG3 GLU A 61 0.487 -0.951 -6.276 1.00 5.04 H new ATOM 949 N ASP A 62 2.447 1.496 -6.652 1.00 51.01 N ATOM 950 CA ASP A 62 3.491 1.467 -5.634 1.00 34.20 C ATOM 951 C ASP A 62 4.488 2.601 -5.846 1.00 3.12 C ATOM 952 O ASP A 62 4.212 3.559 -6.569 1.00 22.32 O ATOM 953 CB ASP A 62 4.217 0.121 -5.656 1.00 41.14 C ATOM 954 CG ASP A 62 3.340 -1.002 -6.176 1.00 5.44 C ATOM 955 OD1 ASP A 62 2.505 -1.510 -5.399 1.00 31.12 O ATOM 956 OD2 ASP A 62 3.489 -1.371 -7.359 1.00 23.21 O ATOM 0 H ASP A 62 2.779 1.327 -7.602 1.00 51.01 H new ATOM 0 HA ASP A 62 3.019 1.600 -4.661 1.00 34.20 H new ATOM 0 HB2 ASP A 62 5.107 0.202 -6.280 1.00 41.14 H new ATOM 0 HB3 ASP A 62 4.555 -0.123 -4.649 1.00 41.14 H new ATOM 961 N LYS A 63 5.649 2.488 -5.210 1.00 23.44 N ATOM 962 CA LYS A 63 6.689 3.503 -5.328 1.00 24.45 C ATOM 963 C LYS A 63 8.070 2.897 -5.094 1.00 73.20 C ATOM 964 O LYS A 63 8.202 1.693 -4.870 1.00 14.13 O ATOM 965 CB LYS A 63 6.442 4.635 -4.328 1.00 32.52 C ATOM 966 CG LYS A 63 5.314 4.348 -3.352 1.00 13.11 C ATOM 967 CD LYS A 63 5.170 5.458 -2.324 1.00 42.22 C ATOM 968 CE LYS A 63 3.849 5.359 -1.578 1.00 14.22 C ATOM 969 NZ LYS A 63 3.316 6.701 -1.213 1.00 54.03 N ATOM 0 H LYS A 63 5.894 1.703 -4.607 1.00 23.44 H new ATOM 0 HA LYS A 63 6.655 3.906 -6.340 1.00 24.45 H new ATOM 0 HB2 LYS A 63 7.358 4.820 -3.767 1.00 32.52 H new ATOM 0 HB3 LYS A 63 6.214 5.549 -4.876 1.00 32.52 H new ATOM 0 HG2 LYS A 63 4.378 4.234 -3.899 1.00 13.11 H new ATOM 0 HG3 LYS A 63 5.503 3.402 -2.844 1.00 13.11 H new ATOM 0 HD2 LYS A 63 5.995 5.406 -1.613 1.00 42.22 H new ATOM 0 HD3 LYS A 63 5.237 6.426 -2.821 1.00 42.22 H new ATOM 0 HE2 LYS A 63 3.121 4.835 -2.197 1.00 14.22 H new ATOM 0 HE3 LYS A 63 3.986 4.765 -0.675 1.00 14.22 H new ATOM 0 HZ1 LYS A 63 2.415 6.590 -0.706 1.00 54.03 H new ATOM 0 HZ2 LYS A 63 3.999 7.191 -0.601 1.00 54.03 H new ATOM 0 HZ3 LYS A 63 3.161 7.260 -2.076 1.00 54.03 H new ATOM 983 N THR A 64 9.097 3.739 -5.147 1.00 23.23 N ATOM 984 CA THR A 64 10.467 3.287 -4.941 1.00 23.53 C ATOM 985 C THR A 64 11.096 3.970 -3.732 1.00 31.45 C ATOM 986 O THR A 64 11.120 5.197 -3.642 1.00 53.21 O ATOM 987 CB THR A 64 11.341 3.557 -6.180 1.00 74.14 C ATOM 988 OG1 THR A 64 11.548 2.341 -6.908 1.00 54.44 O ATOM 989 CG2 THR A 64 12.683 4.148 -5.778 1.00 24.11 C ATOM 0 H THR A 64 9.006 4.738 -5.331 1.00 23.23 H new ATOM 0 HA THR A 64 10.421 2.212 -4.765 1.00 23.53 H new ATOM 0 HB THR A 64 10.821 4.276 -6.814 1.00 74.14 H new ATOM 0 HG1 THR A 64 11.980 1.681 -6.326 1.00 54.44 H new ATOM 0 HG21 THR A 64 13.282 4.330 -6.670 1.00 24.11 H new ATOM 0 HG22 THR A 64 12.523 5.088 -5.250 1.00 24.11 H new ATOM 0 HG23 THR A 64 13.207 3.450 -5.125 1.00 24.11 H new ATOM 997 N VAL A 65 11.605 3.167 -2.802 1.00 62.14 N ATOM 998 CA VAL A 65 12.236 3.695 -1.599 1.00 21.44 C ATOM 999 C VAL A 65 13.278 4.753 -1.943 1.00 63.40 C ATOM 1000 O VAL A 65 13.325 5.816 -1.327 1.00 3.40 O ATOM 1001 CB VAL A 65 12.908 2.576 -0.780 1.00 74.43 C ATOM 1002 CG1 VAL A 65 13.053 2.992 0.675 1.00 2.33 C ATOM 1003 CG2 VAL A 65 12.115 1.282 -0.896 1.00 41.35 C ATOM 0 H VAL A 65 11.592 2.149 -2.859 1.00 62.14 H new ATOM 0 HA VAL A 65 11.446 4.149 -1.001 1.00 21.44 H new ATOM 0 HB VAL A 65 13.905 2.403 -1.184 1.00 74.43 H new ATOM 0 HG11 VAL A 65 13.530 2.189 1.237 1.00 2.33 H new ATOM 0 HG12 VAL A 65 13.666 3.891 0.737 1.00 2.33 H new ATOM 0 HG13 VAL A 65 12.068 3.194 1.095 1.00 2.33 H new ATOM 0 HG21 VAL A 65 12.604 0.502 -0.312 1.00 41.35 H new ATOM 0 HG22 VAL A 65 11.105 1.439 -0.518 1.00 41.35 H new ATOM 0 HG23 VAL A 65 12.068 0.976 -1.941 1.00 41.35 H new ATOM 1013 N GLY A 66 14.113 4.453 -2.933 1.00 65.33 N ATOM 1014 CA GLY A 66 15.144 5.388 -3.343 1.00 42.44 C ATOM 1015 C GLY A 66 16.319 4.701 -4.010 1.00 24.02 C ATOM 1016 O GLY A 66 16.222 3.543 -4.416 1.00 74.13 O ATOM 0 H GLY A 66 14.094 3.579 -3.458 1.00 65.33 H new ATOM 0 HA2 GLY A 66 14.716 6.117 -4.030 1.00 42.44 H new ATOM 0 HA3 GLY A 66 15.497 5.940 -2.472 1.00 42.44 H new ATOM 1020 N PHE A 67 17.434 5.416 -4.124 1.00 31.30 N ATOM 1021 CA PHE A 67 18.633 4.868 -4.748 1.00 54.35 C ATOM 1022 C PHE A 67 19.844 5.028 -3.834 1.00 35.11 C ATOM 1023 O PHE A 67 20.013 6.059 -3.184 1.00 1.42 O ATOM 1024 CB PHE A 67 18.896 5.559 -6.088 1.00 4.20 C ATOM 1025 CG PHE A 67 19.380 6.974 -5.948 1.00 1.24 C ATOM 1026 CD1 PHE A 67 20.734 7.251 -5.850 1.00 63.21 C ATOM 1027 CD2 PHE A 67 18.481 8.028 -5.914 1.00 31.32 C ATOM 1028 CE1 PHE A 67 21.182 8.552 -5.720 1.00 71.10 C ATOM 1029 CE2 PHE A 67 18.923 9.331 -5.784 1.00 54.04 C ATOM 1030 CZ PHE A 67 20.275 9.593 -5.688 1.00 42.44 C ATOM 0 H PHE A 67 17.532 6.376 -3.793 1.00 31.30 H new ATOM 0 HA PHE A 67 18.469 3.804 -4.921 1.00 54.35 H new ATOM 0 HB2 PHE A 67 19.636 4.984 -6.645 1.00 4.20 H new ATOM 0 HB3 PHE A 67 17.979 5.554 -6.677 1.00 4.20 H new ATOM 0 HD1 PHE A 67 21.448 6.441 -5.875 1.00 63.21 H new ATOM 0 HD2 PHE A 67 17.422 7.829 -5.990 1.00 31.32 H new ATOM 0 HE1 PHE A 67 22.240 8.754 -5.644 1.00 71.10 H new ATOM 0 HE2 PHE A 67 18.212 10.143 -5.758 1.00 54.04 H new ATOM 0 HZ PHE A 67 20.623 10.611 -5.588 1.00 42.44 H new ATOM 1040 N VAL A 68 20.683 3.998 -3.789 1.00 3.42 N ATOM 1041 CA VAL A 68 21.879 4.023 -2.955 1.00 0.11 C ATOM 1042 C VAL A 68 23.143 3.939 -3.804 1.00 13.53 C ATOM 1043 O VAL A 68 23.263 3.078 -4.675 1.00 34.12 O ATOM 1044 CB VAL A 68 21.879 2.866 -1.939 1.00 32.32 C ATOM 1045 CG1 VAL A 68 23.155 2.881 -1.112 1.00 24.51 C ATOM 1046 CG2 VAL A 68 20.652 2.945 -1.042 1.00 63.43 C ATOM 0 H VAL A 68 20.557 3.136 -4.320 1.00 3.42 H new ATOM 0 HA VAL A 68 21.869 4.970 -2.416 1.00 0.11 H new ATOM 0 HB VAL A 68 21.841 1.925 -2.487 1.00 32.32 H new ATOM 0 HG11 VAL A 68 23.137 2.056 -0.400 1.00 24.51 H new ATOM 0 HG12 VAL A 68 24.017 2.773 -1.771 1.00 24.51 H new ATOM 0 HG13 VAL A 68 23.228 3.825 -0.572 1.00 24.51 H new ATOM 0 HG21 VAL A 68 20.668 2.120 -0.330 1.00 63.43 H new ATOM 0 HG22 VAL A 68 20.657 3.891 -0.501 1.00 63.43 H new ATOM 0 HG23 VAL A 68 19.751 2.881 -1.652 1.00 63.43 H new ATOM 1056 N VAL A 69 24.085 4.841 -3.543 1.00 74.44 N ATOM 1057 CA VAL A 69 25.341 4.868 -4.282 1.00 43.22 C ATOM 1058 C VAL A 69 26.503 4.408 -3.408 1.00 53.14 C ATOM 1059 O VAL A 69 26.795 5.013 -2.377 1.00 23.12 O ATOM 1060 CB VAL A 69 25.645 6.279 -4.820 1.00 3.20 C ATOM 1061 CG1 VAL A 69 26.898 6.263 -5.683 1.00 13.50 C ATOM 1062 CG2 VAL A 69 24.457 6.819 -5.601 1.00 35.22 C ATOM 0 H VAL A 69 24.001 5.562 -2.826 1.00 74.44 H new ATOM 0 HA VAL A 69 25.229 4.183 -5.122 1.00 43.22 H new ATOM 0 HB VAL A 69 25.825 6.941 -3.973 1.00 3.20 H new ATOM 0 HG11 VAL A 69 27.097 7.268 -6.054 1.00 13.50 H new ATOM 0 HG12 VAL A 69 27.745 5.921 -5.088 1.00 13.50 H new ATOM 0 HG13 VAL A 69 26.751 5.588 -6.526 1.00 13.50 H new ATOM 0 HG21 VAL A 69 24.690 7.817 -5.974 1.00 35.22 H new ATOM 0 HG22 VAL A 69 24.243 6.158 -6.441 1.00 35.22 H new ATOM 0 HG23 VAL A 69 23.585 6.869 -4.949 1.00 35.22 H new ATOM 1072 N VAL A 70 27.163 3.333 -3.829 1.00 13.45 N ATOM 1073 CA VAL A 70 28.294 2.792 -3.085 1.00 43.23 C ATOM 1074 C VAL A 70 29.537 2.704 -3.964 1.00 2.13 C ATOM 1075 O VAL A 70 29.551 1.993 -4.968 1.00 11.43 O ATOM 1076 CB VAL A 70 27.978 1.394 -2.521 1.00 0.53 C ATOM 1077 CG1 VAL A 70 29.102 0.918 -1.613 1.00 11.30 C ATOM 1078 CG2 VAL A 70 26.651 1.408 -1.777 1.00 51.44 C ATOM 0 H VAL A 70 26.934 2.820 -4.681 1.00 13.45 H new ATOM 0 HA VAL A 70 28.485 3.475 -2.257 1.00 43.23 H new ATOM 0 HB VAL A 70 27.895 0.695 -3.354 1.00 0.53 H new ATOM 0 HG11 VAL A 70 28.861 -0.071 -1.224 1.00 11.30 H new ATOM 0 HG12 VAL A 70 30.032 0.868 -2.180 1.00 11.30 H new ATOM 0 HG13 VAL A 70 29.220 1.615 -0.784 1.00 11.30 H new ATOM 0 HG21 VAL A 70 26.443 0.412 -1.385 1.00 51.44 H new ATOM 0 HG22 VAL A 70 26.704 2.119 -0.952 1.00 51.44 H new ATOM 0 HG23 VAL A 70 25.854 1.703 -2.460 1.00 51.44 H new ATOM 1088 N ASN A 71 30.581 3.431 -3.578 1.00 14.43 N ATOM 1089 CA ASN A 71 31.830 3.436 -4.331 1.00 33.35 C ATOM 1090 C ASN A 71 32.978 2.899 -3.482 1.00 3.45 C ATOM 1091 O ASN A 71 33.425 3.553 -2.540 1.00 4.32 O ATOM 1092 CB ASN A 71 32.154 4.851 -4.812 1.00 43.21 C ATOM 1093 CG ASN A 71 30.970 5.519 -5.484 1.00 0.23 C ATOM 1094 OD1 ASN A 71 30.228 6.313 -4.721 1.00 71.44 O flip ATOM 1095 ND2 ASN A 71 30.726 5.324 -6.674 1.00 12.23 N flip ATOM 0 H ASN A 71 30.587 4.024 -2.748 1.00 14.43 H new ATOM 0 HA ASN A 71 31.707 2.785 -5.197 1.00 33.35 H new ATOM 0 HB2 ASN A 71 32.475 5.455 -3.964 1.00 43.21 H new ATOM 0 HB3 ASN A 71 32.990 4.812 -5.510 1.00 43.21 H new ATOM 0 HD21 ASN A 71 31.324 4.705 -7.222 1.00 12.23 H new ATOM 0 HD22 ASN A 71 29.926 5.781 -7.112 1.00 12.23 H new ATOM 1102 N ALA A 72 33.451 1.705 -3.822 1.00 44.25 N ATOM 1103 CA ALA A 72 34.549 1.082 -3.094 1.00 3.01 C ATOM 1104 C ALA A 72 35.865 1.806 -3.359 1.00 60.00 C ATOM 1105 O ALA A 72 36.716 1.911 -2.475 1.00 54.42 O ATOM 1106 CB ALA A 72 34.667 -0.387 -3.472 1.00 44.13 C ATOM 0 H ALA A 72 33.091 1.149 -4.598 1.00 44.25 H new ATOM 0 HA ALA A 72 34.333 1.155 -2.028 1.00 3.01 H new ATOM 0 HB1 ALA A 72 35.491 -0.840 -2.921 1.00 44.13 H new ATOM 0 HB2 ALA A 72 33.739 -0.902 -3.225 1.00 44.13 H new ATOM 0 HB3 ALA A 72 34.856 -0.473 -4.542 1.00 44.13 H new ATOM 1112 N ASP A 73 36.026 2.302 -4.581 1.00 11.23 N ATOM 1113 CA ASP A 73 37.239 3.017 -4.962 1.00 74.21 C ATOM 1114 C ASP A 73 37.458 4.231 -4.065 1.00 44.34 C ATOM 1115 O ASP A 73 38.592 4.565 -3.721 1.00 2.13 O ATOM 1116 CB ASP A 73 37.159 3.455 -6.425 1.00 51.42 C ATOM 1117 CG ASP A 73 36.474 4.797 -6.591 1.00 15.52 C ATOM 1118 OD1 ASP A 73 35.229 4.843 -6.501 1.00 30.21 O ATOM 1119 OD2 ASP A 73 37.182 5.803 -6.811 1.00 74.53 O ATOM 0 H ASP A 73 35.332 2.222 -5.324 1.00 11.23 H new ATOM 0 HA ASP A 73 38.085 2.340 -4.839 1.00 74.21 H new ATOM 0 HB2 ASP A 73 38.165 3.510 -6.840 1.00 51.42 H new ATOM 0 HB3 ASP A 73 36.619 2.701 -6.998 1.00 51.42 H new ATOM 1124 N LYS A 74 36.367 4.890 -3.692 1.00 35.45 N ATOM 1125 CA LYS A 74 36.438 6.067 -2.835 1.00 3.31 C ATOM 1126 C LYS A 74 36.245 5.687 -1.370 1.00 40.33 C ATOM 1127 O LYS A 74 36.594 6.450 -0.469 1.00 13.11 O ATOM 1128 CB LYS A 74 35.380 7.091 -3.251 1.00 40.41 C ATOM 1129 CG LYS A 74 35.691 8.507 -2.796 1.00 21.30 C ATOM 1130 CD LYS A 74 36.962 9.033 -3.441 1.00 4.05 C ATOM 1131 CE LYS A 74 37.101 10.536 -3.254 1.00 1.13 C ATOM 1132 NZ LYS A 74 37.736 10.877 -1.950 1.00 71.24 N ATOM 0 H LYS A 74 35.421 4.628 -3.970 1.00 35.45 H new ATOM 0 HA LYS A 74 37.428 6.509 -2.950 1.00 3.31 H new ATOM 0 HB2 LYS A 74 35.283 7.080 -4.337 1.00 40.41 H new ATOM 0 HB3 LYS A 74 34.415 6.791 -2.842 1.00 40.41 H new ATOM 0 HG2 LYS A 74 34.857 9.162 -3.046 1.00 21.30 H new ATOM 0 HG3 LYS A 74 35.797 8.527 -1.711 1.00 21.30 H new ATOM 0 HD2 LYS A 74 37.826 8.530 -3.008 1.00 4.05 H new ATOM 0 HD3 LYS A 74 36.956 8.797 -4.505 1.00 4.05 H new ATOM 0 HE2 LYS A 74 37.697 10.949 -4.067 1.00 1.13 H new ATOM 0 HE3 LYS A 74 36.117 11.002 -3.312 1.00 1.13 H new ATOM 0 HZ1 LYS A 74 37.813 11.910 -1.861 1.00 71.24 H new ATOM 0 HZ2 LYS A 74 37.154 10.505 -1.173 1.00 71.24 H new ATOM 0 HZ3 LYS A 74 38.685 10.454 -1.905 1.00 71.24 H new ATOM 1146 N LYS A 75 35.688 4.503 -1.140 1.00 5.14 N ATOM 1147 CA LYS A 75 35.451 4.020 0.215 1.00 21.34 C ATOM 1148 C LYS A 75 34.319 4.797 0.880 1.00 44.20 C ATOM 1149 O LYS A 75 34.364 5.075 2.079 1.00 1.22 O ATOM 1150 CB LYS A 75 36.727 4.139 1.052 1.00 14.45 C ATOM 1151 CG LYS A 75 36.778 3.174 2.224 1.00 64.33 C ATOM 1152 CD LYS A 75 37.721 2.014 1.949 1.00 4.31 C ATOM 1153 CE LYS A 75 39.177 2.452 2.014 1.00 54.01 C ATOM 1154 NZ LYS A 75 39.983 1.569 2.901 1.00 35.35 N ATOM 0 H LYS A 75 35.392 3.860 -1.875 1.00 5.14 H new ATOM 0 HA LYS A 75 35.161 2.971 0.154 1.00 21.34 H new ATOM 0 HB2 LYS A 75 37.590 3.964 0.410 1.00 14.45 H new ATOM 0 HB3 LYS A 75 36.811 5.159 1.428 1.00 14.45 H new ATOM 0 HG2 LYS A 75 37.103 3.704 3.119 1.00 64.33 H new ATOM 0 HG3 LYS A 75 35.778 2.791 2.425 1.00 64.33 H new ATOM 0 HD2 LYS A 75 37.546 1.221 2.676 1.00 4.31 H new ATOM 0 HD3 LYS A 75 37.509 1.597 0.965 1.00 4.31 H new ATOM 0 HE2 LYS A 75 39.603 2.445 1.011 1.00 54.01 H new ATOM 0 HE3 LYS A 75 39.232 3.478 2.377 1.00 54.01 H new ATOM 0 HZ1 LYS A 75 40.969 1.901 2.918 1.00 35.35 H new ATOM 0 HZ2 LYS A 75 39.592 1.595 3.864 1.00 35.35 H new ATOM 0 HZ3 LYS A 75 39.952 0.594 2.541 1.00 35.35 H new ATOM 1168 N LEU A 76 33.306 5.144 0.095 1.00 53.31 N ATOM 1169 CA LEU A 76 32.161 5.889 0.608 1.00 73.41 C ATOM 1170 C LEU A 76 30.867 5.420 -0.051 1.00 21.25 C ATOM 1171 O LEU A 76 30.863 5.008 -1.210 1.00 64.40 O ATOM 1172 CB LEU A 76 32.353 7.387 0.370 1.00 45.33 C ATOM 1173 CG LEU A 76 33.039 7.776 -0.941 1.00 31.03 C ATOM 1174 CD1 LEU A 76 32.168 7.403 -2.130 1.00 34.10 C ATOM 1175 CD2 LEU A 76 33.356 9.264 -0.956 1.00 2.24 C ATOM 0 H LEU A 76 33.253 4.922 -0.899 1.00 53.31 H new ATOM 0 HA LEU A 76 32.090 5.704 1.680 1.00 73.41 H new ATOM 0 HB2 LEU A 76 31.375 7.868 0.402 1.00 45.33 H new ATOM 0 HB3 LEU A 76 32.936 7.794 1.196 1.00 45.33 H new ATOM 0 HG LEU A 76 33.976 7.224 -1.016 1.00 31.03 H new ATOM 0 HD11 LEU A 76 32.672 7.687 -3.054 1.00 34.10 H new ATOM 0 HD12 LEU A 76 31.992 6.327 -2.129 1.00 34.10 H new ATOM 0 HD13 LEU A 76 31.215 7.927 -2.061 1.00 34.10 H new ATOM 0 HD21 LEU A 76 33.844 9.523 -1.896 1.00 2.24 H new ATOM 0 HD22 LEU A 76 32.432 9.834 -0.858 1.00 2.24 H new ATOM 0 HD23 LEU A 76 34.020 9.503 -0.125 1.00 2.24 H new ATOM 1187 N MET A 77 29.770 5.488 0.697 1.00 63.11 N ATOM 1188 CA MET A 77 28.470 5.074 0.184 1.00 34.51 C ATOM 1189 C MET A 77 27.357 5.947 0.755 1.00 52.15 C ATOM 1190 O MET A 77 27.260 6.132 1.968 1.00 43.13 O ATOM 1191 CB MET A 77 28.207 3.605 0.525 1.00 1.54 C ATOM 1192 CG MET A 77 28.443 3.270 1.989 1.00 15.43 C ATOM 1193 SD MET A 77 27.219 2.120 2.644 1.00 34.40 S ATOM 1194 CE MET A 77 25.724 3.097 2.501 1.00 4.02 C ATOM 0 H MET A 77 29.756 5.826 1.659 1.00 63.11 H new ATOM 0 HA MET A 77 28.481 5.192 -0.900 1.00 34.51 H new ATOM 0 HB2 MET A 77 27.177 3.359 0.266 1.00 1.54 H new ATOM 0 HB3 MET A 77 28.850 2.977 -0.091 1.00 1.54 H new ATOM 0 HG2 MET A 77 29.438 2.840 2.103 1.00 15.43 H new ATOM 0 HG3 MET A 77 28.423 4.188 2.576 1.00 15.43 H new ATOM 0 HE1 MET A 77 24.862 2.485 2.767 1.00 4.02 H new ATOM 0 HE2 MET A 77 25.783 3.953 3.174 1.00 4.02 H new ATOM 0 HE3 MET A 77 25.616 3.449 1.475 1.00 4.02 H new ATOM 1204 N SER A 78 26.519 6.482 -0.128 1.00 2.10 N ATOM 1205 CA SER A 78 25.416 7.340 0.288 1.00 34.30 C ATOM 1206 C SER A 78 24.073 6.717 -0.084 1.00 65.11 C ATOM 1207 O SER A 78 23.919 6.145 -1.163 1.00 63.22 O ATOM 1208 CB SER A 78 25.545 8.722 -0.355 1.00 63.34 C ATOM 1209 OG SER A 78 26.905 9.098 -0.486 1.00 23.12 O ATOM 0 H SER A 78 26.583 6.336 -1.135 1.00 2.10 H new ATOM 0 HA SER A 78 25.460 7.446 1.372 1.00 34.30 H new ATOM 0 HB2 SER A 78 25.070 8.716 -1.336 1.00 63.34 H new ATOM 0 HB3 SER A 78 25.017 9.459 0.250 1.00 63.34 H new ATOM 0 HG SER A 78 26.961 9.984 -0.901 1.00 23.12 H new ATOM 1215 N VAL A 79 23.104 6.833 0.818 1.00 21.41 N ATOM 1216 CA VAL A 79 21.774 6.282 0.586 1.00 50.51 C ATOM 1217 C VAL A 79 20.728 7.389 0.508 1.00 72.35 C ATOM 1218 O VAL A 79 20.551 8.158 1.452 1.00 0.01 O ATOM 1219 CB VAL A 79 21.375 5.291 1.695 1.00 10.32 C ATOM 1220 CG1 VAL A 79 19.966 4.768 1.462 1.00 12.04 C ATOM 1221 CG2 VAL A 79 22.373 4.145 1.769 1.00 14.32 C ATOM 0 H VAL A 79 23.215 7.304 1.716 1.00 21.41 H new ATOM 0 HA VAL A 79 21.812 5.753 -0.366 1.00 50.51 H new ATOM 0 HB VAL A 79 21.388 5.816 2.650 1.00 10.32 H new ATOM 0 HG11 VAL A 79 19.701 4.069 2.256 1.00 12.04 H new ATOM 0 HG12 VAL A 79 19.264 5.602 1.463 1.00 12.04 H new ATOM 0 HG13 VAL A 79 19.922 4.258 0.500 1.00 12.04 H new ATOM 0 HG21 VAL A 79 22.076 3.454 2.558 1.00 14.32 H new ATOM 0 HG22 VAL A 79 22.394 3.619 0.815 1.00 14.32 H new ATOM 0 HG23 VAL A 79 23.365 4.540 1.987 1.00 14.32 H new ATOM 1231 N SER A 80 20.036 7.462 -0.625 1.00 50.20 N ATOM 1232 CA SER A 80 19.009 8.477 -0.829 1.00 34.24 C ATOM 1233 C SER A 80 17.631 7.835 -0.965 1.00 0.32 C ATOM 1234 O SER A 80 17.399 7.020 -1.858 1.00 33.25 O ATOM 1235 CB SER A 80 19.322 9.308 -2.074 1.00 61.44 C ATOM 1236 OG SER A 80 20.465 10.120 -1.871 1.00 42.11 O ATOM 0 H SER A 80 20.168 6.831 -1.415 1.00 50.20 H new ATOM 0 HA SER A 80 19.002 9.132 0.043 1.00 34.24 H new ATOM 0 HB2 SER A 80 19.488 8.646 -2.924 1.00 61.44 H new ATOM 0 HB3 SER A 80 18.466 9.935 -2.321 1.00 61.44 H new ATOM 0 HG SER A 80 20.645 10.640 -2.682 1.00 42.11 H new ATOM 1242 N PHE A 81 16.720 8.210 -0.073 1.00 22.35 N ATOM 1243 CA PHE A 81 15.365 7.671 -0.091 1.00 42.01 C ATOM 1244 C PHE A 81 14.335 8.783 0.085 1.00 43.23 C ATOM 1245 O PHE A 81 14.575 9.759 0.796 1.00 72.11 O ATOM 1246 CB PHE A 81 15.195 6.624 1.011 1.00 32.24 C ATOM 1247 CG PHE A 81 15.894 6.982 2.291 1.00 23.35 C ATOM 1248 CD1 PHE A 81 15.439 8.029 3.076 1.00 41.33 C ATOM 1249 CD2 PHE A 81 17.007 6.271 2.710 1.00 25.22 C ATOM 1250 CE1 PHE A 81 16.080 8.361 4.254 1.00 3.14 C ATOM 1251 CE2 PHE A 81 17.652 6.598 3.888 1.00 24.31 C ATOM 1252 CZ PHE A 81 17.189 7.645 4.660 1.00 21.15 C ATOM 0 H PHE A 81 16.895 8.885 0.671 1.00 22.35 H new ATOM 0 HA PHE A 81 15.202 7.198 -1.060 1.00 42.01 H new ATOM 0 HB2 PHE A 81 14.132 6.489 1.212 1.00 32.24 H new ATOM 0 HB3 PHE A 81 15.576 5.667 0.654 1.00 32.24 H new ATOM 0 HD1 PHE A 81 14.572 8.593 2.763 1.00 41.33 H new ATOM 0 HD2 PHE A 81 17.375 5.452 2.109 1.00 25.22 H new ATOM 0 HE1 PHE A 81 15.714 9.179 4.857 1.00 3.14 H new ATOM 0 HE2 PHE A 81 18.518 6.035 4.204 1.00 24.31 H new ATOM 0 HZ PHE A 81 17.693 7.904 5.579 1.00 21.15 H new ATOM 1262 N SER A 82 13.189 8.628 -0.569 1.00 55.32 N ATOM 1263 CA SER A 82 12.123 9.621 -0.490 1.00 21.35 C ATOM 1264 C SER A 82 10.879 9.030 0.166 1.00 15.12 C ATOM 1265 O SER A 82 10.619 7.831 0.063 1.00 12.11 O ATOM 1266 CB SER A 82 11.779 10.143 -1.885 1.00 53.45 C ATOM 1267 OG SER A 82 12.662 11.181 -2.274 1.00 64.20 O ATOM 0 H SER A 82 12.974 7.825 -1.160 1.00 55.32 H new ATOM 0 HA SER A 82 12.477 10.450 0.123 1.00 21.35 H new ATOM 0 HB2 SER A 82 11.833 9.327 -2.605 1.00 53.45 H new ATOM 0 HB3 SER A 82 10.753 10.511 -1.896 1.00 53.45 H new ATOM 0 HG SER A 82 12.422 11.496 -3.170 1.00 64.20 H new ATOM 1273 N ASP A 83 10.113 9.881 0.840 1.00 32.24 N ATOM 1274 CA ASP A 83 8.894 9.445 1.513 1.00 43.02 C ATOM 1275 C ASP A 83 8.989 7.975 1.910 1.00 53.14 C ATOM 1276 O ASP A 83 8.449 7.103 1.229 1.00 72.42 O ATOM 1277 CB ASP A 83 7.681 9.665 0.608 1.00 13.15 C ATOM 1278 CG ASP A 83 7.432 11.133 0.320 1.00 64.43 C ATOM 1279 OD1 ASP A 83 8.148 11.979 0.894 1.00 43.22 O ATOM 1280 OD2 ASP A 83 6.521 11.434 -0.480 1.00 4.53 O ATOM 0 H ASP A 83 10.314 10.876 0.935 1.00 32.24 H new ATOM 0 HA ASP A 83 8.775 10.040 2.418 1.00 43.02 H new ATOM 0 HB2 ASP A 83 7.831 9.134 -0.332 1.00 13.15 H new ATOM 0 HB3 ASP A 83 6.797 9.235 1.079 1.00 13.15 H new ATOM 1285 N ILE A 84 9.678 7.709 3.014 1.00 62.33 N ATOM 1286 CA ILE A 84 9.843 6.345 3.500 1.00 30.34 C ATOM 1287 C ILE A 84 9.446 6.233 4.968 1.00 11.15 C ATOM 1288 O ILE A 84 9.626 7.172 5.744 1.00 50.20 O ATOM 1289 CB ILE A 84 11.295 5.859 3.335 1.00 42.42 C ATOM 1290 CG1 ILE A 84 12.232 6.670 4.233 1.00 63.33 C ATOM 1291 CG2 ILE A 84 11.726 5.964 1.879 1.00 32.23 C ATOM 1292 CD1 ILE A 84 13.059 5.817 5.169 1.00 31.34 C ATOM 0 H ILE A 84 10.131 8.420 3.589 1.00 62.33 H new ATOM 0 HA ILE A 84 9.187 5.715 2.899 1.00 30.34 H new ATOM 0 HB ILE A 84 11.349 4.813 3.636 1.00 42.42 H new ATOM 0 HG12 ILE A 84 12.900 7.261 3.607 1.00 63.33 H new ATOM 0 HG13 ILE A 84 11.641 7.372 4.821 1.00 63.33 H new ATOM 0 HG21 ILE A 84 12.754 5.617 1.778 1.00 32.23 H new ATOM 0 HG22 ILE A 84 11.073 5.348 1.261 1.00 32.23 H new ATOM 0 HG23 ILE A 84 11.660 7.002 1.554 1.00 32.23 H new ATOM 0 HD11 ILE A 84 13.700 6.458 5.775 1.00 31.34 H new ATOM 0 HD12 ILE A 84 12.398 5.245 5.820 1.00 31.34 H new ATOM 0 HD13 ILE A 84 13.677 5.132 4.587 1.00 31.34 H new ATOM 1304 N ASP A 85 8.907 5.079 5.344 1.00 75.55 N ATOM 1305 CA ASP A 85 8.486 4.842 6.720 1.00 43.21 C ATOM 1306 C ASP A 85 9.689 4.554 7.613 1.00 12.03 C ATOM 1307 O ASP A 85 10.755 4.174 7.131 1.00 71.43 O ATOM 1308 CB ASP A 85 7.499 3.676 6.781 1.00 73.10 C ATOM 1309 CG ASP A 85 6.403 3.898 7.805 1.00 22.01 C ATOM 1310 OD1 ASP A 85 6.660 3.672 9.006 1.00 12.51 O ATOM 1311 OD2 ASP A 85 5.289 4.297 7.406 1.00 71.54 O ATOM 0 H ASP A 85 8.751 4.292 4.714 1.00 75.55 H new ATOM 0 HA ASP A 85 7.993 5.743 7.084 1.00 43.21 H new ATOM 0 HB2 ASP A 85 7.050 3.532 5.798 1.00 73.10 H new ATOM 0 HB3 ASP A 85 8.038 2.760 7.023 1.00 73.10 H new ATOM 1316 N GLU A 86 9.509 4.739 8.917 1.00 13.23 N ATOM 1317 CA GLU A 86 10.580 4.501 9.877 1.00 23.32 C ATOM 1318 C GLU A 86 10.894 3.011 9.983 1.00 44.11 C ATOM 1319 O GLU A 86 12.009 2.624 10.332 1.00 50.54 O ATOM 1320 CB GLU A 86 10.195 5.051 11.252 1.00 22.31 C ATOM 1321 CG GLU A 86 8.989 4.361 11.868 1.00 65.13 C ATOM 1322 CD GLU A 86 8.385 5.153 13.011 1.00 20.30 C ATOM 1323 OE1 GLU A 86 8.285 6.391 12.888 1.00 11.20 O ATOM 1324 OE2 GLU A 86 8.012 4.533 14.029 1.00 72.20 O ATOM 0 H GLU A 86 8.632 5.053 9.333 1.00 13.23 H new ATOM 0 HA GLU A 86 11.472 5.019 9.523 1.00 23.32 H new ATOM 0 HB2 GLU A 86 11.045 4.948 11.926 1.00 22.31 H new ATOM 0 HB3 GLU A 86 9.986 6.117 11.162 1.00 22.31 H new ATOM 0 HG2 GLU A 86 8.232 4.205 11.099 1.00 65.13 H new ATOM 0 HG3 GLU A 86 9.284 3.376 12.229 1.00 65.13 H new ATOM 1331 N ASN A 87 9.902 2.180 9.679 1.00 4.25 N ATOM 1332 CA ASN A 87 10.072 0.733 9.741 1.00 32.03 C ATOM 1333 C ASN A 87 11.188 0.276 8.807 1.00 20.52 C ATOM 1334 O ASN A 87 12.066 -0.491 9.202 1.00 41.00 O ATOM 1335 CB ASN A 87 8.764 0.029 9.374 1.00 53.41 C ATOM 1336 CG ASN A 87 8.755 -1.429 9.790 1.00 11.21 C ATOM 1337 OD1 ASN A 87 9.216 -1.779 10.876 1.00 5.45 O ATOM 1338 ND2 ASN A 87 8.228 -2.288 8.925 1.00 2.30 N ATOM 0 H ASN A 87 8.973 2.484 9.388 1.00 4.25 H new ATOM 0 HA ASN A 87 10.346 0.468 10.762 1.00 32.03 H new ATOM 0 HB2 ASN A 87 7.931 0.545 9.851 1.00 53.41 H new ATOM 0 HB3 ASN A 87 8.607 0.098 8.298 1.00 53.41 H new ATOM 0 HD21 ASN A 87 8.194 -3.282 9.150 1.00 2.30 H new ATOM 0 HD22 ASN A 87 7.857 -1.953 8.036 1.00 2.30 H new ATOM 1345 N MET A 88 11.147 0.752 7.567 1.00 30.03 N ATOM 1346 CA MET A 88 12.156 0.393 6.577 1.00 1.34 C ATOM 1347 C MET A 88 13.458 1.148 6.830 1.00 75.11 C ATOM 1348 O MET A 88 14.545 0.643 6.548 1.00 13.15 O ATOM 1349 CB MET A 88 11.646 0.691 5.166 1.00 13.23 C ATOM 1350 CG MET A 88 11.197 2.131 4.974 1.00 72.33 C ATOM 1351 SD MET A 88 10.100 2.333 3.557 1.00 35.53 S ATOM 1352 CE MET A 88 10.888 1.257 2.362 1.00 22.51 C ATOM 0 H MET A 88 10.426 1.387 7.224 1.00 30.03 H new ATOM 0 HA MET A 88 12.353 -0.675 6.666 1.00 1.34 H new ATOM 0 HB2 MET A 88 12.435 0.466 4.448 1.00 13.23 H new ATOM 0 HB3 MET A 88 10.812 0.026 4.942 1.00 13.23 H new ATOM 0 HG2 MET A 88 10.687 2.472 5.875 1.00 72.33 H new ATOM 0 HG3 MET A 88 12.073 2.766 4.844 1.00 72.33 H new ATOM 0 HE1 MET A 88 10.693 1.626 1.355 1.00 22.51 H new ATOM 0 HE2 MET A 88 11.963 1.241 2.540 1.00 22.51 H new ATOM 0 HE3 MET A 88 10.488 0.248 2.462 1.00 22.51 H new ATOM 1362 N LYS A 89 13.340 2.360 7.362 1.00 71.22 N ATOM 1363 CA LYS A 89 14.506 3.184 7.653 1.00 5.53 C ATOM 1364 C LYS A 89 15.541 2.400 8.455 1.00 53.24 C ATOM 1365 O LYS A 89 16.745 2.538 8.237 1.00 33.12 O ATOM 1366 CB LYS A 89 14.090 4.438 8.426 1.00 23.14 C ATOM 1367 CG LYS A 89 14.743 5.711 7.917 1.00 2.33 C ATOM 1368 CD LYS A 89 15.506 6.426 9.020 1.00 52.30 C ATOM 1369 CE LYS A 89 17.005 6.197 8.900 1.00 34.45 C ATOM 1370 NZ LYS A 89 17.634 5.942 10.226 1.00 41.32 N ATOM 0 H LYS A 89 12.448 2.793 7.600 1.00 71.22 H new ATOM 0 HA LYS A 89 14.955 3.481 6.705 1.00 5.53 H new ATOM 0 HB2 LYS A 89 13.007 4.547 8.369 1.00 23.14 H new ATOM 0 HB3 LYS A 89 14.342 4.306 9.478 1.00 23.14 H new ATOM 0 HG2 LYS A 89 15.423 5.470 7.100 1.00 2.33 H new ATOM 0 HG3 LYS A 89 13.980 6.375 7.512 1.00 2.33 H new ATOM 0 HD2 LYS A 89 15.295 7.495 8.976 1.00 52.30 H new ATOM 0 HD3 LYS A 89 15.160 6.073 9.991 1.00 52.30 H new ATOM 0 HE2 LYS A 89 17.191 5.350 8.240 1.00 34.45 H new ATOM 0 HE3 LYS A 89 17.470 7.068 8.439 1.00 34.45 H new ATOM 0 HZ1 LYS A 89 18.491 6.523 10.321 1.00 41.32 H new ATOM 0 HZ2 LYS A 89 16.963 6.188 10.982 1.00 41.32 H new ATOM 0 HZ3 LYS A 89 17.888 4.936 10.302 1.00 41.32 H new ATOM 1384 N LYS A 90 15.064 1.576 9.381 1.00 34.11 N ATOM 1385 CA LYS A 90 15.946 0.767 10.213 1.00 31.25 C ATOM 1386 C LYS A 90 16.812 -0.151 9.357 1.00 75.45 C ATOM 1387 O LYS A 90 17.987 -0.366 9.652 1.00 63.15 O ATOM 1388 CB LYS A 90 15.126 -0.065 11.203 1.00 5.41 C ATOM 1389 CG LYS A 90 14.413 -1.243 10.563 1.00 24.22 C ATOM 1390 CD LYS A 90 15.233 -2.518 10.673 1.00 4.31 C ATOM 1391 CE LYS A 90 15.277 -3.031 12.104 1.00 12.12 C ATOM 1392 NZ LYS A 90 16.673 -3.259 12.570 1.00 72.04 N ATOM 0 H LYS A 90 14.070 1.451 9.574 1.00 34.11 H new ATOM 0 HA LYS A 90 16.600 1.441 10.767 1.00 31.25 H new ATOM 0 HB2 LYS A 90 15.786 -0.434 11.989 1.00 5.41 H new ATOM 0 HB3 LYS A 90 14.388 0.579 11.682 1.00 5.41 H new ATOM 0 HG2 LYS A 90 13.446 -1.389 11.044 1.00 24.22 H new ATOM 0 HG3 LYS A 90 14.217 -1.024 9.513 1.00 24.22 H new ATOM 0 HD2 LYS A 90 14.807 -3.283 10.024 1.00 4.31 H new ATOM 0 HD3 LYS A 90 16.248 -2.331 10.321 1.00 4.31 H new ATOM 0 HE2 LYS A 90 14.787 -2.313 12.762 1.00 12.12 H new ATOM 0 HE3 LYS A 90 14.715 -3.962 12.173 1.00 12.12 H new ATOM 0 HZ1 LYS A 90 16.659 -3.608 13.550 1.00 72.04 H new ATOM 0 HZ2 LYS A 90 17.133 -3.963 11.958 1.00 72.04 H new ATOM 0 HZ3 LYS A 90 17.203 -2.365 12.529 1.00 72.04 H new ATOM 1406 N VAL A 91 16.223 -0.690 8.293 1.00 12.13 N ATOM 1407 CA VAL A 91 16.941 -1.583 7.392 1.00 42.21 C ATOM 1408 C VAL A 91 17.959 -0.816 6.555 1.00 22.31 C ATOM 1409 O VAL A 91 19.049 -1.316 6.273 1.00 34.44 O ATOM 1410 CB VAL A 91 15.975 -2.326 6.451 1.00 70.52 C ATOM 1411 CG1 VAL A 91 14.603 -2.464 7.094 1.00 43.05 C ATOM 1412 CG2 VAL A 91 15.877 -1.609 5.113 1.00 14.52 C ATOM 0 H VAL A 91 15.250 -0.523 8.035 1.00 12.13 H new ATOM 0 HA VAL A 91 17.461 -2.311 8.015 1.00 42.21 H new ATOM 0 HB VAL A 91 16.368 -3.327 6.272 1.00 70.52 H new ATOM 0 HG11 VAL A 91 13.934 -2.992 6.414 1.00 43.05 H new ATOM 0 HG12 VAL A 91 14.692 -3.025 8.024 1.00 43.05 H new ATOM 0 HG13 VAL A 91 14.199 -1.474 7.305 1.00 43.05 H new ATOM 0 HG21 VAL A 91 15.190 -2.148 4.461 1.00 14.52 H new ATOM 0 HG22 VAL A 91 15.508 -0.595 5.270 1.00 14.52 H new ATOM 0 HG23 VAL A 91 16.862 -1.569 4.649 1.00 14.52 H new ATOM 1422 N ILE A 92 17.597 0.400 6.161 1.00 22.00 N ATOM 1423 CA ILE A 92 18.480 1.236 5.358 1.00 40.45 C ATOM 1424 C ILE A 92 19.699 1.679 6.160 1.00 31.10 C ATOM 1425 O ILE A 92 20.832 1.599 5.685 1.00 72.32 O ATOM 1426 CB ILE A 92 17.747 2.483 4.829 1.00 10.51 C ATOM 1427 CG1 ILE A 92 16.329 2.119 4.386 1.00 34.31 C ATOM 1428 CG2 ILE A 92 18.523 3.106 3.678 1.00 4.45 C ATOM 1429 CD1 ILE A 92 15.660 3.191 3.555 1.00 45.51 C ATOM 0 H ILE A 92 16.699 0.828 6.385 1.00 22.00 H new ATOM 0 HA ILE A 92 18.805 0.629 4.513 1.00 40.45 H new ATOM 0 HB ILE A 92 17.680 3.214 5.634 1.00 10.51 H new ATOM 0 HG12 ILE A 92 16.363 1.194 3.811 1.00 34.31 H new ATOM 0 HG13 ILE A 92 15.721 1.923 5.269 1.00 34.31 H new ATOM 0 HG21 ILE A 92 17.992 3.986 3.315 1.00 4.45 H new ATOM 0 HG22 ILE A 92 19.515 3.397 4.023 1.00 4.45 H new ATOM 0 HG23 ILE A 92 18.619 2.381 2.869 1.00 4.45 H new ATOM 0 HD11 ILE A 92 14.658 2.864 3.277 1.00 45.51 H new ATOM 0 HD12 ILE A 92 15.593 4.112 4.134 1.00 45.51 H new ATOM 0 HD13 ILE A 92 16.246 3.371 2.654 1.00 45.51 H new ATOM 1441 N LYS A 93 19.459 2.145 7.381 1.00 20.20 N ATOM 1442 CA LYS A 93 20.536 2.598 8.253 1.00 64.40 C ATOM 1443 C LYS A 93 21.462 1.442 8.620 1.00 72.14 C ATOM 1444 O LYS A 93 22.684 1.589 8.622 1.00 55.42 O ATOM 1445 CB LYS A 93 19.961 3.227 9.524 1.00 43.33 C ATOM 1446 CG LYS A 93 20.464 4.636 9.786 1.00 42.33 C ATOM 1447 CD LYS A 93 20.394 4.988 11.262 1.00 13.12 C ATOM 1448 CE LYS A 93 21.740 4.800 11.945 1.00 72.40 C ATOM 1449 NZ LYS A 93 21.890 5.689 13.130 1.00 32.42 N ATOM 0 H LYS A 93 18.527 2.219 7.789 1.00 20.20 H new ATOM 0 HA LYS A 93 21.115 3.348 7.714 1.00 64.40 H new ATOM 0 HB2 LYS A 93 18.874 3.246 9.450 1.00 43.33 H new ATOM 0 HB3 LYS A 93 20.211 2.596 10.377 1.00 43.33 H new ATOM 0 HG2 LYS A 93 21.493 4.726 9.438 1.00 42.33 H new ATOM 0 HG3 LYS A 93 19.870 5.348 9.213 1.00 42.33 H new ATOM 0 HD2 LYS A 93 20.069 6.022 11.375 1.00 13.12 H new ATOM 0 HD3 LYS A 93 19.646 4.363 11.751 1.00 13.12 H new ATOM 0 HE2 LYS A 93 21.848 3.761 12.255 1.00 72.40 H new ATOM 0 HE3 LYS A 93 22.540 5.005 11.234 1.00 72.40 H new ATOM 0 HZ1 LYS A 93 22.820 5.531 13.567 1.00 32.42 H new ATOM 0 HZ2 LYS A 93 21.813 6.682 12.831 1.00 32.42 H new ATOM 0 HZ3 LYS A 93 21.142 5.476 13.821 1.00 32.42 H new ATOM 1463 N ALA A 94 20.871 0.292 8.928 1.00 63.23 N ATOM 1464 CA ALA A 94 21.643 -0.890 9.292 1.00 3.32 C ATOM 1465 C ALA A 94 22.512 -1.358 8.130 1.00 74.35 C ATOM 1466 O ALA A 94 23.639 -1.813 8.326 1.00 21.02 O ATOM 1467 CB ALA A 94 20.715 -2.007 9.744 1.00 24.55 C ATOM 0 H ALA A 94 19.860 0.154 8.933 1.00 63.23 H new ATOM 0 HA ALA A 94 22.302 -0.623 10.118 1.00 3.32 H new ATOM 0 HB1 ALA A 94 21.305 -2.883 10.013 1.00 24.55 H new ATOM 0 HB2 ALA A 94 20.142 -1.676 10.610 1.00 24.55 H new ATOM 0 HB3 ALA A 94 20.033 -2.263 8.934 1.00 24.55 H new ATOM 1473 N THR A 95 21.980 -1.245 6.916 1.00 34.43 N ATOM 1474 CA THR A 95 22.705 -1.659 5.722 1.00 22.21 C ATOM 1475 C THR A 95 23.900 -0.749 5.461 1.00 15.42 C ATOM 1476 O THR A 95 25.002 -1.219 5.183 1.00 20.54 O ATOM 1477 CB THR A 95 21.792 -1.658 4.481 1.00 3.34 C ATOM 1478 OG1 THR A 95 20.759 -2.637 4.632 1.00 32.24 O ATOM 1479 CG2 THR A 95 22.592 -1.947 3.220 1.00 24.54 C ATOM 0 H THR A 95 21.049 -0.870 6.735 1.00 34.43 H new ATOM 0 HA THR A 95 23.058 -2.674 5.903 1.00 22.21 H new ATOM 0 HB THR A 95 21.343 -0.669 4.388 1.00 3.34 H new ATOM 0 HG1 THR A 95 21.139 -3.533 4.519 1.00 32.24 H new ATOM 0 HG21 THR A 95 21.926 -1.941 2.357 1.00 24.54 H new ATOM 0 HG22 THR A 95 23.358 -1.183 3.092 1.00 24.54 H new ATOM 0 HG23 THR A 95 23.066 -2.925 3.306 1.00 24.54 H new ATOM 1487 N ALA A 96 23.673 0.558 5.553 1.00 20.31 N ATOM 1488 CA ALA A 96 24.732 1.534 5.330 1.00 52.23 C ATOM 1489 C ALA A 96 25.793 1.453 6.422 1.00 61.24 C ATOM 1490 O ALA A 96 26.989 1.404 6.135 1.00 73.13 O ATOM 1491 CB ALA A 96 24.149 2.938 5.261 1.00 41.11 C ATOM 0 H ALA A 96 22.766 0.964 5.780 1.00 20.31 H new ATOM 0 HA ALA A 96 25.210 1.303 4.378 1.00 52.23 H new ATOM 0 HB1 ALA A 96 24.951 3.657 5.094 1.00 41.11 H new ATOM 0 HB2 ALA A 96 23.434 2.995 4.440 1.00 41.11 H new ATOM 0 HB3 ALA A 96 23.644 3.169 6.199 1.00 41.11 H new ATOM 1497 N GLU A 97 25.347 1.440 7.674 1.00 24.50 N ATOM 1498 CA GLU A 97 26.261 1.366 8.808 1.00 34.34 C ATOM 1499 C GLU A 97 27.023 0.044 8.808 1.00 60.21 C ATOM 1500 O GLU A 97 28.177 -0.021 9.232 1.00 41.11 O ATOM 1501 CB GLU A 97 25.491 1.523 10.122 1.00 45.02 C ATOM 1502 CG GLU A 97 24.784 0.255 10.568 1.00 32.24 C ATOM 1503 CD GLU A 97 25.675 -0.650 11.397 1.00 42.21 C ATOM 1504 OE1 GLU A 97 26.592 -0.129 12.066 1.00 33.22 O ATOM 1505 OE2 GLU A 97 25.455 -1.879 11.376 1.00 63.12 O ATOM 0 H GLU A 97 24.360 1.480 7.929 1.00 24.50 H new ATOM 0 HA GLU A 97 26.980 2.180 8.716 1.00 34.34 H new ATOM 0 HB2 GLU A 97 26.183 1.837 10.903 1.00 45.02 H new ATOM 0 HB3 GLU A 97 24.755 2.319 10.009 1.00 45.02 H new ATOM 0 HG2 GLU A 97 23.901 0.521 11.150 1.00 32.24 H new ATOM 0 HG3 GLU A 97 24.435 -0.290 9.691 1.00 32.24 H new ATOM 1512 N LYS A 98 26.369 -1.009 8.329 1.00 22.24 N ATOM 1513 CA LYS A 98 26.983 -2.330 8.272 1.00 22.51 C ATOM 1514 C LYS A 98 28.274 -2.296 7.460 1.00 1.33 C ATOM 1515 O LYS A 98 29.255 -2.955 7.806 1.00 12.34 O ATOM 1516 CB LYS A 98 26.011 -3.341 7.660 1.00 33.45 C ATOM 1517 CG LYS A 98 26.656 -4.672 7.312 1.00 15.22 C ATOM 1518 CD LYS A 98 27.208 -5.364 8.547 1.00 44.31 C ATOM 1519 CE LYS A 98 28.106 -6.534 8.175 1.00 10.01 C ATOM 1520 NZ LYS A 98 27.340 -7.638 7.532 1.00 5.31 N ATOM 0 H LYS A 98 25.413 -0.973 7.975 1.00 22.24 H new ATOM 0 HA LYS A 98 27.223 -2.635 9.291 1.00 22.51 H new ATOM 0 HB2 LYS A 98 25.193 -3.515 8.359 1.00 33.45 H new ATOM 0 HB3 LYS A 98 25.574 -2.912 6.758 1.00 33.45 H new ATOM 0 HG2 LYS A 98 25.922 -5.318 6.829 1.00 15.22 H new ATOM 0 HG3 LYS A 98 27.460 -4.511 6.594 1.00 15.22 H new ATOM 0 HD2 LYS A 98 27.771 -4.648 9.146 1.00 44.31 H new ATOM 0 HD3 LYS A 98 26.384 -5.719 9.166 1.00 44.31 H new ATOM 0 HE2 LYS A 98 28.887 -6.191 7.497 1.00 10.01 H new ATOM 0 HE3 LYS A 98 28.603 -6.910 9.070 1.00 10.01 H new ATOM 0 HZ1 LYS A 98 27.337 -8.469 8.157 1.00 5.31 H new ATOM 0 HZ2 LYS A 98 26.361 -7.329 7.363 1.00 5.31 H new ATOM 0 HZ3 LYS A 98 27.786 -7.888 6.626 1.00 5.31 H new ATOM 1534 N PHE A 99 28.268 -1.522 6.380 1.00 74.12 N ATOM 1535 CA PHE A 99 29.439 -1.401 5.519 1.00 34.11 C ATOM 1536 C PHE A 99 30.599 -0.752 6.268 1.00 61.24 C ATOM 1537 O PHE A 99 31.764 -1.072 6.028 1.00 11.34 O ATOM 1538 CB PHE A 99 29.099 -0.581 4.272 1.00 30.55 C ATOM 1539 CG PHE A 99 28.573 -1.410 3.135 1.00 5.12 C ATOM 1540 CD1 PHE A 99 29.391 -2.326 2.492 1.00 14.42 C ATOM 1541 CD2 PHE A 99 27.262 -1.272 2.709 1.00 63.44 C ATOM 1542 CE1 PHE A 99 28.910 -3.090 1.446 1.00 41.25 C ATOM 1543 CE2 PHE A 99 26.776 -2.034 1.663 1.00 62.11 C ATOM 1544 CZ PHE A 99 27.601 -2.943 1.030 1.00 43.03 C ATOM 0 H PHE A 99 27.465 -0.969 6.080 1.00 74.12 H new ATOM 0 HA PHE A 99 29.741 -2.403 5.215 1.00 34.11 H new ATOM 0 HB2 PHE A 99 28.358 0.174 4.534 1.00 30.55 H new ATOM 0 HB3 PHE A 99 29.992 -0.050 3.941 1.00 30.55 H new ATOM 0 HD1 PHE A 99 30.416 -2.444 2.812 1.00 14.42 H new ATOM 0 HD2 PHE A 99 26.613 -0.562 3.199 1.00 63.44 H new ATOM 0 HE1 PHE A 99 29.557 -3.801 0.954 1.00 41.25 H new ATOM 0 HE2 PHE A 99 25.752 -1.919 1.341 1.00 62.11 H new ATOM 0 HZ PHE A 99 27.223 -3.538 0.211 1.00 43.03 H new ATOM 1554 N LYS A 100 30.273 0.162 7.175 1.00 33.21 N ATOM 1555 CA LYS A 100 31.286 0.857 7.961 1.00 74.25 C ATOM 1556 C LYS A 100 32.066 -0.123 8.831 1.00 11.11 C ATOM 1557 O LYS A 100 33.236 0.101 9.138 1.00 11.11 O ATOM 1558 CB LYS A 100 30.634 1.928 8.838 1.00 60.01 C ATOM 1559 CG LYS A 100 31.617 2.662 9.733 1.00 45.32 C ATOM 1560 CD LYS A 100 32.544 3.556 8.927 1.00 45.54 C ATOM 1561 CE LYS A 100 31.879 4.879 8.578 1.00 2.22 C ATOM 1562 NZ LYS A 100 32.863 5.995 8.516 1.00 11.54 N ATOM 0 H LYS A 100 29.314 0.439 7.384 1.00 33.21 H new ATOM 0 HA LYS A 100 31.981 1.335 7.271 1.00 74.25 H new ATOM 0 HB2 LYS A 100 30.128 2.651 8.198 1.00 60.01 H new ATOM 0 HB3 LYS A 100 29.869 1.461 9.459 1.00 60.01 H new ATOM 0 HG2 LYS A 100 31.070 3.264 10.459 1.00 45.32 H new ATOM 0 HG3 LYS A 100 32.207 1.939 10.297 1.00 45.32 H new ATOM 0 HD2 LYS A 100 33.455 3.744 9.496 1.00 45.54 H new ATOM 0 HD3 LYS A 100 32.840 3.044 8.012 1.00 45.54 H new ATOM 0 HE2 LYS A 100 31.372 4.788 7.617 1.00 2.22 H new ATOM 0 HE3 LYS A 100 31.115 5.109 9.321 1.00 2.22 H new ATOM 0 HZ1 LYS A 100 32.367 6.902 8.632 1.00 11.54 H new ATOM 0 HZ2 LYS A 100 33.563 5.883 9.277 1.00 11.54 H new ATOM 0 HZ3 LYS A 100 33.347 5.981 7.595 1.00 11.54 H new ATOM 1576 N ASN A 101 31.410 -1.210 9.224 1.00 22.13 N ATOM 1577 CA ASN A 101 32.043 -2.225 10.059 1.00 45.31 C ATOM 1578 C ASN A 101 33.215 -2.876 9.329 1.00 13.44 C ATOM 1579 O ASN A 101 34.057 -3.531 9.944 1.00 52.32 O ATOM 1580 CB ASN A 101 31.024 -3.291 10.464 1.00 72.24 C ATOM 1581 CG ASN A 101 29.921 -2.733 11.342 1.00 1.13 C ATOM 1582 OD1 ASN A 101 29.443 -1.619 11.125 1.00 31.52 O ATOM 1583 ND2 ASN A 101 29.512 -3.506 12.341 1.00 24.35 N ATOM 0 H ASN A 101 30.441 -1.411 8.978 1.00 22.13 H new ATOM 0 HA ASN A 101 32.423 -1.736 10.956 1.00 45.31 H new ATOM 0 HB2 ASN A 101 30.585 -3.729 9.568 1.00 72.24 H new ATOM 0 HB3 ASN A 101 31.535 -4.095 10.994 1.00 72.24 H new ATOM 0 HD21 ASN A 101 28.773 -3.183 12.966 1.00 24.35 H new ATOM 0 HD22 ASN A 101 29.937 -4.422 12.484 1.00 24.35 H new ATOM 1590 N LYS A 102 33.262 -2.690 8.015 1.00 61.45 N ATOM 1591 CA LYS A 102 34.330 -3.257 7.200 1.00 62.04 C ATOM 1592 C LYS A 102 35.347 -2.187 6.814 1.00 13.03 C ATOM 1593 O LYS A 102 36.393 -2.489 6.242 1.00 2.51 O ATOM 1594 CB LYS A 102 33.750 -3.902 5.939 1.00 62.12 C ATOM 1595 CG LYS A 102 34.724 -4.823 5.224 1.00 34.41 C ATOM 1596 CD LYS A 102 35.150 -5.981 6.111 1.00 13.15 C ATOM 1597 CE LYS A 102 35.990 -6.991 5.345 1.00 74.12 C ATOM 1598 NZ LYS A 102 37.422 -6.588 5.282 1.00 54.43 N ATOM 0 H LYS A 102 32.573 -2.151 7.491 1.00 61.45 H new ATOM 0 HA LYS A 102 34.837 -4.020 7.791 1.00 62.04 H new ATOM 0 HB2 LYS A 102 32.858 -4.468 6.208 1.00 62.12 H new ATOM 0 HB3 LYS A 102 33.434 -3.117 5.252 1.00 62.12 H new ATOM 0 HG2 LYS A 102 34.261 -5.210 4.316 1.00 34.41 H new ATOM 0 HG3 LYS A 102 35.603 -4.256 4.917 1.00 34.41 H new ATOM 0 HD2 LYS A 102 35.720 -5.601 6.959 1.00 13.15 H new ATOM 0 HD3 LYS A 102 34.267 -6.474 6.516 1.00 13.15 H new ATOM 0 HE2 LYS A 102 35.908 -7.968 5.822 1.00 74.12 H new ATOM 0 HE3 LYS A 102 35.598 -7.097 4.334 1.00 74.12 H new ATOM 0 HZ1 LYS A 102 37.961 -7.302 4.752 1.00 54.43 H new ATOM 0 HZ2 LYS A 102 37.503 -5.668 4.804 1.00 54.43 H new ATOM 0 HZ3 LYS A 102 37.804 -6.512 6.246 1.00 54.43 H new ATOM 1612 N GLY A 103 35.032 -0.935 7.134 1.00 74.25 N ATOM 1613 CA GLY A 103 35.929 0.160 6.814 1.00 34.02 C ATOM 1614 C GLY A 103 35.480 0.940 5.594 1.00 63.40 C ATOM 1615 O GLY A 103 36.193 1.003 4.592 1.00 23.22 O ATOM 0 H GLY A 103 34.172 -0.660 7.609 1.00 74.25 H new ATOM 0 HA2 GLY A 103 35.994 0.834 7.668 1.00 34.02 H new ATOM 0 HA3 GLY A 103 36.931 -0.234 6.641 1.00 34.02 H new ATOM 1619 N PHE A 104 34.295 1.534 5.676 1.00 34.12 N ATOM 1620 CA PHE A 104 33.751 2.311 4.569 1.00 55.13 C ATOM 1621 C PHE A 104 32.820 3.408 5.079 1.00 21.51 C ATOM 1622 O PHE A 104 31.926 3.154 5.887 1.00 25.41 O ATOM 1623 CB PHE A 104 32.998 1.398 3.599 1.00 55.33 C ATOM 1624 CG PHE A 104 33.863 0.340 2.977 1.00 44.34 C ATOM 1625 CD1 PHE A 104 34.018 -0.894 3.587 1.00 43.03 C ATOM 1626 CD2 PHE A 104 34.523 0.580 1.782 1.00 52.41 C ATOM 1627 CE1 PHE A 104 34.814 -1.870 3.017 1.00 50.13 C ATOM 1628 CE2 PHE A 104 35.319 -0.392 1.207 1.00 4.20 C ATOM 1629 CZ PHE A 104 35.466 -1.618 1.826 1.00 42.12 C ATOM 0 H PHE A 104 33.692 1.492 6.498 1.00 34.12 H new ATOM 0 HA PHE A 104 34.583 2.780 4.044 1.00 55.13 H new ATOM 0 HB2 PHE A 104 32.175 0.918 4.129 1.00 55.33 H new ATOM 0 HB3 PHE A 104 32.557 2.006 2.809 1.00 55.33 H new ATOM 0 HD1 PHE A 104 33.511 -1.096 4.519 1.00 43.03 H new ATOM 0 HD2 PHE A 104 34.414 1.538 1.295 1.00 52.41 H new ATOM 0 HE1 PHE A 104 34.926 -2.828 3.502 1.00 50.13 H new ATOM 0 HE2 PHE A 104 35.826 -0.193 0.274 1.00 4.20 H new ATOM 0 HZ PHE A 104 36.090 -2.378 1.379 1.00 42.12 H new ATOM 1639 N LYS A 105 33.037 4.629 4.602 1.00 31.51 N ATOM 1640 CA LYS A 105 32.219 5.765 5.008 1.00 41.42 C ATOM 1641 C LYS A 105 30.797 5.631 4.473 1.00 40.22 C ATOM 1642 O LYS A 105 30.589 5.234 3.326 1.00 3.40 O ATOM 1643 CB LYS A 105 32.842 7.072 4.509 1.00 33.54 C ATOM 1644 CG LYS A 105 31.996 8.299 4.802 1.00 22.10 C ATOM 1645 CD LYS A 105 31.878 8.551 6.296 1.00 51.43 C ATOM 1646 CE LYS A 105 33.091 9.296 6.833 1.00 54.12 C ATOM 1647 NZ LYS A 105 33.005 10.759 6.568 1.00 63.03 N ATOM 0 H LYS A 105 33.773 4.857 3.934 1.00 31.51 H new ATOM 0 HA LYS A 105 32.178 5.781 6.097 1.00 41.42 H new ATOM 0 HB2 LYS A 105 33.821 7.197 4.971 1.00 33.54 H new ATOM 0 HB3 LYS A 105 33.003 7.001 3.433 1.00 33.54 H new ATOM 0 HG2 LYS A 105 32.438 9.171 4.319 1.00 22.10 H new ATOM 0 HG3 LYS A 105 31.002 8.167 4.375 1.00 22.10 H new ATOM 0 HD2 LYS A 105 30.976 9.128 6.499 1.00 51.43 H new ATOM 0 HD3 LYS A 105 31.772 7.601 6.819 1.00 51.43 H new ATOM 0 HE2 LYS A 105 33.176 9.126 7.906 1.00 54.12 H new ATOM 0 HE3 LYS A 105 33.995 8.896 6.374 1.00 54.12 H new ATOM 0 HZ1 LYS A 105 33.850 11.231 6.949 1.00 63.03 H new ATOM 0 HZ2 LYS A 105 32.949 10.923 5.543 1.00 63.03 H new ATOM 0 HZ3 LYS A 105 32.156 11.146 7.027 1.00 63.03 H new ATOM 1661 N VAL A 106 29.820 5.966 5.310 1.00 24.32 N ATOM 1662 CA VAL A 106 28.418 5.885 4.920 1.00 32.03 C ATOM 1663 C VAL A 106 27.701 7.207 5.171 1.00 33.30 C ATOM 1664 O VAL A 106 27.932 7.867 6.183 1.00 21.13 O ATOM 1665 CB VAL A 106 27.687 4.764 5.683 1.00 12.21 C ATOM 1666 CG1 VAL A 106 28.675 3.934 6.488 1.00 33.04 C ATOM 1667 CG2 VAL A 106 26.610 5.349 6.584 1.00 34.44 C ATOM 0 H VAL A 106 29.974 6.296 6.263 1.00 24.32 H new ATOM 0 HA VAL A 106 28.398 5.661 3.853 1.00 32.03 H new ATOM 0 HB VAL A 106 27.205 4.108 4.958 1.00 12.21 H new ATOM 0 HG11 VAL A 106 28.140 3.147 7.020 1.00 33.04 H new ATOM 0 HG12 VAL A 106 29.406 3.485 5.815 1.00 33.04 H new ATOM 0 HG13 VAL A 106 29.188 4.574 7.206 1.00 33.04 H new ATOM 0 HG21 VAL A 106 26.103 4.544 7.116 1.00 34.44 H new ATOM 0 HG22 VAL A 106 27.067 6.028 7.304 1.00 34.44 H new ATOM 0 HG23 VAL A 106 25.887 5.896 5.979 1.00 34.44 H new ATOM 1677 N GLU A 107 26.829 7.586 4.242 1.00 12.30 N ATOM 1678 CA GLU A 107 26.078 8.830 4.363 1.00 52.40 C ATOM 1679 C GLU A 107 24.585 8.586 4.162 1.00 11.35 C ATOM 1680 O GLU A 107 24.184 7.701 3.406 1.00 63.01 O ATOM 1681 CB GLU A 107 26.579 9.856 3.344 1.00 25.03 C ATOM 1682 CG GLU A 107 25.754 11.131 3.307 1.00 75.22 C ATOM 1683 CD GLU A 107 25.780 11.882 4.624 1.00 42.24 C ATOM 1684 OE1 GLU A 107 26.728 11.669 5.408 1.00 3.22 O ATOM 1685 OE2 GLU A 107 24.854 12.682 4.870 1.00 52.43 O ATOM 0 H GLU A 107 26.625 7.050 3.398 1.00 12.30 H new ATOM 0 HA GLU A 107 26.233 9.221 5.368 1.00 52.40 H new ATOM 0 HB2 GLU A 107 27.614 10.109 3.575 1.00 25.03 H new ATOM 0 HB3 GLU A 107 26.576 9.402 2.353 1.00 25.03 H new ATOM 0 HG2 GLU A 107 26.130 11.780 2.516 1.00 75.22 H new ATOM 0 HG3 GLU A 107 24.723 10.885 3.054 1.00 75.22 H new ATOM 1692 N THR A 108 23.765 9.378 4.847 1.00 74.04 N ATOM 1693 CA THR A 108 22.317 9.248 4.746 1.00 35.00 C ATOM 1694 C THR A 108 21.684 10.532 4.222 1.00 43.23 C ATOM 1695 O THR A 108 21.996 11.626 4.693 1.00 42.13 O ATOM 1696 CB THR A 108 21.688 8.899 6.108 1.00 31.32 C ATOM 1697 OG1 THR A 108 22.170 9.796 7.115 1.00 53.14 O ATOM 1698 CG2 THR A 108 22.012 7.466 6.502 1.00 21.42 C ATOM 0 H THR A 108 24.079 10.116 5.477 1.00 74.04 H new ATOM 0 HA THR A 108 22.121 8.437 4.044 1.00 35.00 H new ATOM 0 HB THR A 108 20.606 9.000 6.020 1.00 31.32 H new ATOM 0 HG1 THR A 108 21.764 9.568 7.977 1.00 53.14 H new ATOM 0 HG21 THR A 108 21.557 7.242 7.467 1.00 21.42 H new ATOM 0 HG22 THR A 108 21.618 6.784 5.749 1.00 21.42 H new ATOM 0 HG23 THR A 108 23.093 7.344 6.573 1.00 21.42 H new ATOM 1706 N ASP A 109 20.794 10.392 3.245 1.00 4.15 N ATOM 1707 CA ASP A 109 20.116 11.542 2.658 1.00 24.21 C ATOM 1708 C ASP A 109 18.630 11.256 2.465 1.00 3.22 C ATOM 1709 O ASP A 109 18.240 10.131 2.155 1.00 51.34 O ATOM 1710 CB ASP A 109 20.756 11.908 1.318 1.00 1.41 C ATOM 1711 CG ASP A 109 20.969 13.402 1.167 1.00 20.24 C ATOM 1712 OD1 ASP A 109 21.492 14.026 2.115 1.00 71.51 O ATOM 1713 OD2 ASP A 109 20.614 13.947 0.102 1.00 74.22 O ATOM 0 H ASP A 109 20.526 9.494 2.843 1.00 4.15 H new ATOM 0 HA ASP A 109 20.220 12.383 3.343 1.00 24.21 H new ATOM 0 HB2 ASP A 109 21.714 11.396 1.224 1.00 1.41 H new ATOM 0 HB3 ASP A 109 20.122 11.550 0.506 1.00 1.41 H new ATOM 1718 N MET A 110 17.807 12.282 2.653 1.00 55.13 N ATOM 1719 CA MET A 110 16.363 12.141 2.499 1.00 22.21 C ATOM 1720 C MET A 110 15.809 13.210 1.564 1.00 53.53 C ATOM 1721 O MET A 110 14.654 13.622 1.689 1.00 65.52 O ATOM 1722 CB MET A 110 15.673 12.230 3.861 1.00 13.13 C ATOM 1723 CG MET A 110 16.049 13.472 4.653 1.00 54.21 C ATOM 1724 SD MET A 110 15.582 13.356 6.391 1.00 61.13 S ATOM 1725 CE MET A 110 15.745 15.065 6.900 1.00 1.31 C ATOM 0 H MET A 110 18.114 13.219 2.912 1.00 55.13 H new ATOM 0 HA MET A 110 16.163 11.163 2.062 1.00 22.21 H new ATOM 0 HB2 MET A 110 14.593 12.216 3.714 1.00 13.13 H new ATOM 0 HB3 MET A 110 15.926 11.346 4.446 1.00 13.13 H new ATOM 0 HG2 MET A 110 17.125 13.633 4.580 1.00 54.21 H new ATOM 0 HG3 MET A 110 15.566 14.342 4.208 1.00 54.21 H new ATOM 0 HE1 MET A 110 15.489 15.156 7.956 1.00 1.31 H new ATOM 0 HE2 MET A 110 16.773 15.394 6.746 1.00 1.31 H new ATOM 0 HE3 MET A 110 15.073 15.686 6.309 1.00 1.31 H new TER 1735 MET A 110