USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 755 hydrogens (62 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 29 SER OG : rot -54:sc= 1.29 USER MOD Set 1.2: A 30 HIS : no HE2:sc= -0.241! C(o=1!,f=-11!) USER MOD Set 2.1: A 28 TYR OH : rot 39:sc= 0.95 USER MOD Set 2.2: A 32 LYS NZ :NH3+ 173:sc= -0.837! (180deg=-2.27!) USER MOD Set 2.3: A 87 COA O2B : rot -101:sc= 1.05! USER MOD Set 3.1: A 16 LYS NZ :NH3+ 133:sc= 2.48 (180deg=-0.504) USER MOD Set 3.2: A 17 THR OG1 : rot 180:sc= 1.01 USER MOD Single : A 1 SER N :NH3+ -140:sc= 1.44 (180deg=0.161) USER MOD Single : A 1 SER OG : rot 43:sc= 0.419 USER MOD Single : A 2 GLN : amide:sc= -2.25! K(o=-2.2!,f=-0.99) USER MOD Single : A 7 LYS NZ :NH3+ -98:sc= -0.368! (180deg=-2.52!) USER MOD Single : A 13 LYS NZ :NH3+ -175:sc= -1.2 (180deg=-1.34) USER MOD Single : A 14 HIS : no HE2:sc= -0.672! C(o=-0.67!,f=-5.8!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -160:sc= -13.3! (180deg=-14.2!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -2.79! C(o=-2.8!,f=-6.1!) USER MOD Single : A 35 THR OG1 : rot -81:sc= 0.719 USER MOD Single : A 40 ASN : amide:sc= -0.0604 X(o=-0.06,f=-0.074) USER MOD Single : A 41 THR OG1 : rot 78:sc= -0.86 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -129:sc= -1.94! (180deg=-4.15!) USER MOD Single : A 52 LYS NZ :NH3+ 151:sc= 0.589! (180deg=-0.439) USER MOD Single : A 54 LYS NZ :NH3+ -148:sc= 0.41 (180deg=-2.58!) USER MOD Single : A 59 ASN : amide:sc= -0.475 K(o=-0.47,f=-5!) USER MOD Single : A 62 LYS NZ :NH3+ -114:sc= 0.672 (180deg=-2.48!) USER MOD Single : A 64 THR OG1 : rot 83:sc= 0.73 USER MOD Single : A 65 SER OG : rot -145:sc= 0.653 USER MOD Single : A 66 LYS NZ :NH3+ -116:sc= 1.61 (180deg=-2.25) USER MOD Single : A 70 MET CE :methyl -111:sc= -1.03 (180deg=-5.81!) USER MOD Single : A 71 LYS NZ :NH3+ -137:sc= -0.709 (180deg=-1.45) USER MOD Single : A 73 TYR OH : rot 20:sc= -1.94! USER MOD Single : A 76 LYS NZ :NH3+ -158:sc= 1.36 (180deg=1.03) USER MOD Single : A 81 LYS NZ :NH3+ -174:sc= 0.398 (180deg=-0.21) USER MOD Single : A 82 LYS NZ :NH3+ 162:sc= -0.0285 (180deg=-0.359) USER MOD Single : A 83 LYS NZ :NH3+ 156:sc= -0.315! (180deg=-2.11!) USER MOD Single : A 84 TYR OH : rot 174:sc= 2.15 USER MOD Single : A 87 COA OAP : rot -111:sc= -2.8! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 1.418 3.516 -7.723 1.00 2.87 N ATOM 2 CA SER A 1 2.513 3.648 -6.710 1.00 2.09 C ATOM 3 C SER A 1 1.948 3.963 -5.336 1.00 1.82 C ATOM 4 O SER A 1 1.152 4.862 -5.188 1.00 2.37 O ATOM 5 CB SER A 1 3.457 4.783 -7.176 1.00 3.10 C ATOM 6 OG SER A 1 2.530 5.801 -7.577 1.00 3.42 O ATOM 0 H1 SER A 1 1.633 2.728 -8.366 1.00 2.87 H new ATOM 0 H2 SER A 1 0.517 3.331 -7.238 1.00 2.87 H new ATOM 0 H3 SER A 1 1.342 4.398 -8.269 1.00 2.87 H new ATOM 0 HA SER A 1 3.058 2.707 -6.630 1.00 2.09 H new ATOM 0 HB2 SER A 1 4.113 5.122 -6.374 1.00 3.10 H new ATOM 0 HB3 SER A 1 4.097 4.468 -8.000 1.00 3.10 H new ATOM 0 HG SER A 1 1.808 5.865 -6.917 1.00 3.42 H new ATOM 14 N GLN A 2 2.363 3.193 -4.376 1.00 1.11 N ATOM 15 CA GLN A 2 1.922 3.383 -2.965 1.00 1.14 C ATOM 16 C GLN A 2 3.286 3.315 -2.252 1.00 0.93 C ATOM 17 O GLN A 2 4.243 2.826 -2.840 1.00 1.02 O ATOM 18 CB GLN A 2 0.966 2.224 -2.511 1.00 1.07 C ATOM 19 CG GLN A 2 1.724 0.885 -2.325 1.00 1.14 C ATOM 20 CD GLN A 2 2.176 0.296 -3.657 1.00 0.98 C ATOM 21 OE1 GLN A 2 1.455 -0.408 -4.323 1.00 1.07 O ATOM 22 NE2 GLN A 2 3.366 0.554 -4.104 1.00 1.04 N ATOM 0 H GLN A 2 3.009 2.416 -4.512 1.00 1.11 H new ATOM 0 HA GLN A 2 1.351 4.291 -2.771 1.00 1.14 H new ATOM 0 HB2 GLN A 2 0.482 2.500 -1.574 1.00 1.07 H new ATOM 0 HB3 GLN A 2 0.177 2.094 -3.252 1.00 1.07 H new ATOM 0 HG2 GLN A 2 2.592 1.045 -1.686 1.00 1.14 H new ATOM 0 HG3 GLN A 2 1.079 0.171 -1.813 1.00 1.14 H new ATOM 0 HE21 GLN A 2 3.997 1.146 -3.563 1.00 1.04 H new ATOM 0 HE22 GLN A 2 3.671 0.165 -4.996 1.00 1.04 H new ATOM 31 N ALA A 3 3.379 3.746 -1.030 1.00 1.08 N ATOM 32 CA ALA A 3 4.717 3.680 -0.376 1.00 1.13 C ATOM 33 C ALA A 3 5.272 2.295 0.004 1.00 0.90 C ATOM 34 O ALA A 3 5.822 2.098 1.072 1.00 1.40 O ATOM 35 CB ALA A 3 4.622 4.559 0.829 1.00 1.55 C ATOM 0 H ALA A 3 2.618 4.129 -0.469 1.00 1.08 H new ATOM 0 HA ALA A 3 5.445 4.004 -1.120 1.00 1.13 H new ATOM 0 HB1 ALA A 3 5.575 4.556 1.358 1.00 1.55 H new ATOM 0 HB2 ALA A 3 4.382 5.576 0.519 1.00 1.55 H new ATOM 0 HB3 ALA A 3 3.839 4.187 1.490 1.00 1.55 H new ATOM 41 N GLU A 4 5.116 1.364 -0.892 1.00 0.34 N ATOM 42 CA GLU A 4 5.617 -0.009 -0.657 1.00 0.56 C ATOM 43 C GLU A 4 6.956 -0.143 -1.355 1.00 0.54 C ATOM 44 O GLU A 4 7.923 -0.725 -0.890 1.00 0.79 O ATOM 45 CB GLU A 4 4.574 -0.963 -1.218 1.00 0.69 C ATOM 46 CG GLU A 4 3.518 -1.301 -0.130 1.00 0.90 C ATOM 47 CD GLU A 4 2.406 -2.201 -0.681 1.00 2.36 C ATOM 48 OE1 GLU A 4 2.742 -3.304 -1.066 1.00 3.38 O ATOM 49 OE2 GLU A 4 1.284 -1.735 -0.683 1.00 2.76 O ATOM 0 H GLU A 4 4.654 1.502 -1.791 1.00 0.34 H new ATOM 0 HA GLU A 4 5.768 -0.235 0.399 1.00 0.56 H new ATOM 0 HB2 GLU A 4 4.086 -0.513 -2.082 1.00 0.69 H new ATOM 0 HB3 GLU A 4 5.056 -1.877 -1.565 1.00 0.69 H new ATOM 0 HG2 GLU A 4 4.006 -1.797 0.709 1.00 0.90 H new ATOM 0 HG3 GLU A 4 3.083 -0.378 0.254 1.00 0.90 H new ATOM 56 N PHE A 5 6.901 0.493 -2.486 1.00 0.20 N ATOM 57 CA PHE A 5 8.027 0.551 -3.427 1.00 0.09 C ATOM 58 C PHE A 5 8.783 1.864 -3.234 1.00 0.19 C ATOM 59 O PHE A 5 9.989 1.821 -3.136 1.00 0.19 O ATOM 60 CB PHE A 5 7.321 0.342 -4.740 1.00 0.20 C ATOM 61 CG PHE A 5 8.267 0.759 -5.846 1.00 0.14 C ATOM 62 CD1 PHE A 5 8.392 2.084 -6.109 1.00 1.17 C ATOM 63 CD2 PHE A 5 9.021 -0.154 -6.548 1.00 1.22 C ATOM 64 CE1 PHE A 5 9.280 2.501 -7.075 1.00 1.28 C ATOM 65 CE2 PHE A 5 9.906 0.234 -7.508 1.00 1.13 C ATOM 66 CZ PHE A 5 10.040 1.574 -7.775 1.00 0.21 C ATOM 0 H PHE A 5 6.074 0.998 -2.804 1.00 0.20 H new ATOM 0 HA PHE A 5 8.825 -0.183 -3.314 1.00 0.09 H new ATOM 0 HB2 PHE A 5 7.034 -0.703 -4.857 1.00 0.20 H new ATOM 0 HB3 PHE A 5 6.405 0.931 -4.779 1.00 0.20 H new ATOM 0 HD1 PHE A 5 7.800 2.805 -5.565 1.00 1.17 H new ATOM 0 HD2 PHE A 5 8.908 -1.206 -6.332 1.00 1.22 H new ATOM 0 HE1 PHE A 5 9.386 3.554 -7.289 1.00 1.28 H new ATOM 0 HE2 PHE A 5 10.490 -0.497 -8.048 1.00 1.13 H new ATOM 0 HZ PHE A 5 10.737 1.907 -8.530 1.00 0.21 H new ATOM 76 N ASP A 6 8.113 2.987 -3.192 1.00 0.26 N ATOM 77 CA ASP A 6 8.831 4.282 -2.980 1.00 0.27 C ATOM 78 C ASP A 6 9.773 4.033 -1.775 1.00 0.20 C ATOM 79 O ASP A 6 10.952 4.335 -1.734 1.00 0.19 O ATOM 80 CB ASP A 6 7.726 5.264 -2.728 1.00 0.34 C ATOM 81 CG ASP A 6 6.616 5.152 -3.788 1.00 0.69 C ATOM 82 OD1 ASP A 6 6.908 4.918 -4.952 1.00 0.50 O ATOM 83 OD2 ASP A 6 5.494 5.308 -3.352 1.00 1.79 O ATOM 0 H ASP A 6 7.101 3.064 -3.295 1.00 0.26 H new ATOM 0 HA ASP A 6 9.449 4.659 -3.795 1.00 0.27 H new ATOM 0 HB2 ASP A 6 7.303 5.091 -1.738 1.00 0.34 H new ATOM 0 HB3 ASP A 6 8.131 6.276 -2.729 1.00 0.34 H new ATOM 88 N LYS A 7 9.096 3.452 -0.819 1.00 0.25 N ATOM 89 CA LYS A 7 9.686 3.032 0.486 1.00 0.40 C ATOM 90 C LYS A 7 11.011 2.390 0.106 1.00 0.19 C ATOM 91 O LYS A 7 12.069 2.892 0.401 1.00 0.22 O ATOM 92 CB LYS A 7 8.756 2.002 1.132 1.00 0.69 C ATOM 93 CG LYS A 7 9.489 1.060 2.138 1.00 1.33 C ATOM 94 CD LYS A 7 8.463 -0.046 2.542 1.00 2.45 C ATOM 95 CE LYS A 7 9.182 -1.302 3.099 1.00 3.25 C ATOM 96 NZ LYS A 7 10.069 -1.837 2.025 1.00 4.05 N ATOM 0 H LYS A 7 8.101 3.241 -0.898 1.00 0.25 H new ATOM 0 HA LYS A 7 9.818 3.851 1.193 1.00 0.40 H new ATOM 0 HB2 LYS A 7 7.952 2.523 1.652 1.00 0.69 H new ATOM 0 HB3 LYS A 7 8.293 1.399 0.351 1.00 0.69 H new ATOM 0 HG2 LYS A 7 10.375 0.619 1.681 1.00 1.33 H new ATOM 0 HG3 LYS A 7 9.825 1.615 3.014 1.00 1.33 H new ATOM 0 HD2 LYS A 7 7.778 0.347 3.293 1.00 2.45 H new ATOM 0 HD3 LYS A 7 7.862 -0.322 1.676 1.00 2.45 H new ATOM 0 HE2 LYS A 7 9.765 -1.047 3.984 1.00 3.25 H new ATOM 0 HE3 LYS A 7 8.455 -2.055 3.403 1.00 3.25 H new ATOM 0 HZ1 LYS A 7 9.589 -2.620 1.537 1.00 4.05 H new ATOM 0 HZ2 LYS A 7 10.282 -1.082 1.342 1.00 4.05 H new ATOM 0 HZ3 LYS A 7 10.955 -2.183 2.446 1.00 4.05 H new ATOM 110 N ALA A 8 10.886 1.277 -0.562 1.00 0.17 N ATOM 111 CA ALA A 8 12.076 0.521 -1.013 1.00 0.20 C ATOM 112 C ALA A 8 13.083 1.502 -1.663 1.00 0.22 C ATOM 113 O ALA A 8 14.229 1.522 -1.277 1.00 0.27 O ATOM 114 CB ALA A 8 11.559 -0.531 -1.956 1.00 0.27 C ATOM 0 H ALA A 8 9.992 0.857 -0.816 1.00 0.17 H new ATOM 0 HA ALA A 8 12.619 0.035 -0.203 1.00 0.20 H new ATOM 0 HB1 ALA A 8 12.392 -1.128 -2.327 1.00 0.27 H new ATOM 0 HB2 ALA A 8 10.856 -1.177 -1.430 1.00 0.27 H new ATOM 0 HB3 ALA A 8 11.054 -0.051 -2.794 1.00 0.27 H new ATOM 120 N ALA A 9 12.650 2.293 -2.619 1.00 0.26 N ATOM 121 CA ALA A 9 13.561 3.272 -3.288 1.00 0.39 C ATOM 122 C ALA A 9 14.331 4.149 -2.291 1.00 0.36 C ATOM 123 O ALA A 9 15.392 4.619 -2.645 1.00 0.38 O ATOM 124 CB ALA A 9 12.732 4.152 -4.229 1.00 0.49 C ATOM 0 H ALA A 9 11.691 2.300 -2.966 1.00 0.26 H new ATOM 0 HA ALA A 9 14.308 2.706 -3.844 1.00 0.39 H new ATOM 0 HB1 ALA A 9 13.385 4.871 -4.724 1.00 0.49 H new ATOM 0 HB2 ALA A 9 12.247 3.527 -4.978 1.00 0.49 H new ATOM 0 HB3 ALA A 9 11.974 4.685 -3.655 1.00 0.49 H new ATOM 130 N GLU A 10 13.816 4.348 -1.104 1.00 0.34 N ATOM 131 CA GLU A 10 14.554 5.190 -0.119 1.00 0.27 C ATOM 132 C GLU A 10 15.419 4.159 0.547 1.00 0.23 C ATOM 133 O GLU A 10 16.631 4.258 0.517 1.00 0.20 O ATOM 134 CB GLU A 10 13.530 5.825 0.843 1.00 0.29 C ATOM 135 CG GLU A 10 13.551 5.282 2.282 1.00 2.07 C ATOM 136 CD GLU A 10 12.927 6.312 3.217 1.00 2.46 C ATOM 137 OE1 GLU A 10 11.714 6.262 3.358 1.00 2.82 O ATOM 138 OE2 GLU A 10 13.720 7.092 3.719 1.00 2.96 O ATOM 0 H GLU A 10 12.927 3.968 -0.778 1.00 0.34 H new ATOM 0 HA GLU A 10 15.132 6.022 -0.522 1.00 0.27 H new ATOM 0 HB2 GLU A 10 13.706 6.900 0.876 1.00 0.29 H new ATOM 0 HB3 GLU A 10 12.531 5.678 0.432 1.00 0.29 H new ATOM 0 HG2 GLU A 10 13.000 4.343 2.337 1.00 2.07 H new ATOM 0 HG3 GLU A 10 14.575 5.069 2.588 1.00 2.07 H new ATOM 145 N GLU A 11 14.735 3.193 1.093 1.00 0.27 N ATOM 146 CA GLU A 11 15.337 2.048 1.824 1.00 0.33 C ATOM 147 C GLU A 11 16.633 1.646 1.110 1.00 0.32 C ATOM 148 O GLU A 11 17.727 1.884 1.571 1.00 0.36 O ATOM 149 CB GLU A 11 14.214 1.007 1.810 1.00 0.42 C ATOM 150 CG GLU A 11 13.185 1.285 2.925 1.00 0.52 C ATOM 151 CD GLU A 11 12.921 0.079 3.825 1.00 0.87 C ATOM 152 OE1 GLU A 11 12.300 -0.852 3.326 1.00 2.19 O ATOM 153 OE2 GLU A 11 13.310 0.057 4.974 1.00 0.49 O ATOM 0 H GLU A 11 13.716 3.154 1.057 1.00 0.27 H new ATOM 0 HA GLU A 11 15.649 2.230 2.852 1.00 0.33 H new ATOM 0 HB2 GLU A 11 13.716 1.018 0.840 1.00 0.42 H new ATOM 0 HB3 GLU A 11 14.636 0.011 1.941 1.00 0.42 H new ATOM 0 HG2 GLU A 11 13.539 2.114 3.537 1.00 0.52 H new ATOM 0 HG3 GLU A 11 12.246 1.602 2.471 1.00 0.52 H new ATOM 160 N VAL A 12 16.480 1.044 -0.034 1.00 0.30 N ATOM 161 CA VAL A 12 17.577 0.578 -0.891 1.00 0.30 C ATOM 162 C VAL A 12 18.582 1.690 -1.168 1.00 0.35 C ATOM 163 O VAL A 12 19.782 1.492 -1.139 1.00 0.36 O ATOM 164 CB VAL A 12 16.908 0.061 -2.159 1.00 0.30 C ATOM 165 CG1 VAL A 12 16.842 1.055 -3.276 1.00 0.37 C ATOM 166 CG2 VAL A 12 17.583 -1.145 -2.650 1.00 0.27 C ATOM 0 H VAL A 12 15.559 0.848 -0.427 1.00 0.30 H new ATOM 0 HA VAL A 12 18.162 -0.208 -0.414 1.00 0.30 H new ATOM 0 HB VAL A 12 15.882 -0.156 -1.860 1.00 0.30 H new ATOM 0 HG11 VAL A 12 16.351 0.602 -4.137 1.00 0.37 H new ATOM 0 HG12 VAL A 12 16.276 1.928 -2.953 1.00 0.37 H new ATOM 0 HG13 VAL A 12 17.852 1.359 -3.552 1.00 0.37 H new ATOM 0 HG21 VAL A 12 17.088 -1.496 -3.556 1.00 0.27 H new ATOM 0 HG22 VAL A 12 18.625 -0.914 -2.872 1.00 0.27 H new ATOM 0 HG23 VAL A 12 17.538 -1.923 -1.888 1.00 0.27 H new ATOM 176 N LYS A 13 18.096 2.873 -1.427 1.00 0.41 N ATOM 177 CA LYS A 13 19.058 3.954 -1.701 1.00 0.45 C ATOM 178 C LYS A 13 19.882 4.296 -0.410 1.00 0.41 C ATOM 179 O LYS A 13 20.756 5.144 -0.424 1.00 0.53 O ATOM 180 CB LYS A 13 18.305 5.196 -2.139 1.00 0.45 C ATOM 181 CG LYS A 13 17.958 5.201 -3.623 1.00 0.76 C ATOM 182 CD LYS A 13 17.336 6.589 -3.971 1.00 1.38 C ATOM 183 CE LYS A 13 18.413 7.714 -4.101 1.00 0.80 C ATOM 184 NZ LYS A 13 19.214 7.455 -5.332 1.00 0.95 N ATOM 0 H LYS A 13 17.108 3.125 -1.459 1.00 0.41 H new ATOM 0 HA LYS A 13 19.739 3.624 -2.486 1.00 0.45 H new ATOM 0 HB2 LYS A 13 17.386 5.279 -1.558 1.00 0.45 H new ATOM 0 HB3 LYS A 13 18.906 6.076 -1.911 1.00 0.45 H new ATOM 0 HG2 LYS A 13 18.850 5.023 -4.223 1.00 0.76 H new ATOM 0 HG3 LYS A 13 17.255 4.401 -3.852 1.00 0.76 H new ATOM 0 HD2 LYS A 13 16.783 6.511 -4.907 1.00 1.38 H new ATOM 0 HD3 LYS A 13 16.618 6.865 -3.199 1.00 1.38 H new ATOM 0 HE2 LYS A 13 17.935 8.692 -4.157 1.00 0.80 H new ATOM 0 HE3 LYS A 13 19.059 7.725 -3.223 1.00 0.80 H new ATOM 0 HZ1 LYS A 13 19.991 8.144 -5.392 1.00 0.95 H new ATOM 0 HZ2 LYS A 13 19.607 6.493 -5.295 1.00 0.95 H new ATOM 0 HZ3 LYS A 13 18.604 7.547 -6.169 1.00 0.95 H new ATOM 198 N HIS A 14 19.586 3.640 0.673 1.00 0.25 N ATOM 199 CA HIS A 14 20.337 3.904 1.942 1.00 0.24 C ATOM 200 C HIS A 14 21.250 2.675 2.180 1.00 0.35 C ATOM 201 O HIS A 14 21.952 2.598 3.168 1.00 0.47 O ATOM 202 CB HIS A 14 19.366 4.061 3.159 1.00 0.04 C ATOM 203 CG HIS A 14 18.511 5.334 3.165 1.00 0.28 C ATOM 204 ND1 HIS A 14 17.335 5.460 2.649 1.00 0.35 N ATOM 205 CD2 HIS A 14 18.774 6.578 3.710 1.00 0.54 C ATOM 206 CE1 HIS A 14 16.892 6.667 2.848 1.00 0.61 C ATOM 207 NE2 HIS A 14 17.760 7.394 3.504 1.00 0.74 N ATOM 0 H HIS A 14 18.857 2.930 0.741 1.00 0.25 H new ATOM 0 HA HIS A 14 20.905 4.830 1.852 1.00 0.24 H new ATOM 0 HB2 HIS A 14 18.701 3.198 3.184 1.00 0.04 H new ATOM 0 HB3 HIS A 14 19.955 4.036 4.076 1.00 0.04 H new ATOM 0 HD1 HIS A 14 16.828 4.723 2.158 1.00 0.35 H new ATOM 0 HD2 HIS A 14 19.682 6.843 4.231 1.00 0.54 H new ATOM 0 HE1 HIS A 14 15.929 7.024 2.514 1.00 0.61 H new ATOM 215 N LEU A 15 21.237 1.722 1.274 1.00 0.41 N ATOM 216 CA LEU A 15 22.076 0.510 1.409 1.00 0.59 C ATOM 217 C LEU A 15 23.553 0.750 1.647 1.00 0.59 C ATOM 218 O LEU A 15 24.331 0.739 0.713 1.00 0.72 O ATOM 219 CB LEU A 15 21.892 -0.291 0.158 1.00 0.72 C ATOM 220 CG LEU A 15 20.543 -0.915 0.150 1.00 0.51 C ATOM 221 CD1 LEU A 15 20.375 -1.437 -1.239 1.00 0.65 C ATOM 222 CD2 LEU A 15 20.449 -2.091 1.103 1.00 0.58 C ATOM 0 H LEU A 15 20.663 1.745 0.431 1.00 0.41 H new ATOM 0 HA LEU A 15 21.743 -0.007 2.309 1.00 0.59 H new ATOM 0 HB2 LEU A 15 22.011 0.350 -0.715 1.00 0.72 H new ATOM 0 HB3 LEU A 15 22.659 -1.062 0.094 1.00 0.72 H new ATOM 0 HG LEU A 15 19.789 -0.190 0.455 1.00 0.51 H new ATOM 0 HD11 LEU A 15 19.400 -1.916 -1.332 1.00 0.65 H new ATOM 0 HD12 LEU A 15 20.443 -0.612 -1.948 1.00 0.65 H new ATOM 0 HD13 LEU A 15 21.158 -2.164 -1.452 1.00 0.65 H new ATOM 0 HD21 LEU A 15 19.445 -2.513 1.062 1.00 0.58 H new ATOM 0 HD22 LEU A 15 21.175 -2.852 0.815 1.00 0.58 H new ATOM 0 HD23 LEU A 15 20.660 -1.754 2.118 1.00 0.58 H new ATOM 234 N LYS A 16 23.892 0.968 2.889 1.00 0.52 N ATOM 235 CA LYS A 16 25.304 1.214 3.322 1.00 0.47 C ATOM 236 C LYS A 16 26.400 0.840 2.309 1.00 0.63 C ATOM 237 O LYS A 16 27.289 1.617 2.021 1.00 0.95 O ATOM 238 CB LYS A 16 25.466 0.440 4.671 1.00 0.64 C ATOM 239 CG LYS A 16 26.943 0.072 4.973 1.00 2.17 C ATOM 240 CD LYS A 16 27.827 1.341 5.145 1.00 3.07 C ATOM 241 CE LYS A 16 29.288 0.944 4.909 1.00 4.74 C ATOM 242 NZ LYS A 16 29.523 0.912 3.431 1.00 6.10 N ATOM 0 H LYS A 16 23.219 0.987 3.656 1.00 0.52 H new ATOM 0 HA LYS A 16 25.455 2.289 3.423 1.00 0.47 H new ATOM 0 HB2 LYS A 16 25.073 1.049 5.485 1.00 0.64 H new ATOM 0 HB3 LYS A 16 24.868 -0.471 4.637 1.00 0.64 H new ATOM 0 HG2 LYS A 16 26.990 -0.530 5.880 1.00 2.17 H new ATOM 0 HG3 LYS A 16 27.339 -0.540 4.163 1.00 2.17 H new ATOM 0 HD2 LYS A 16 27.524 2.113 4.438 1.00 3.07 H new ATOM 0 HD3 LYS A 16 27.703 1.758 6.145 1.00 3.07 H new ATOM 0 HE2 LYS A 16 29.959 1.658 5.387 1.00 4.74 H new ATOM 0 HE3 LYS A 16 29.494 -0.032 5.349 1.00 4.74 H new ATOM 0 HZ1 LYS A 16 30.404 1.418 3.208 1.00 6.10 H new ATOM 0 HZ2 LYS A 16 29.601 -0.075 3.113 1.00 6.10 H new ATOM 0 HZ3 LYS A 16 28.727 1.371 2.943 1.00 6.10 H new ATOM 256 N THR A 17 26.284 -0.351 1.819 1.00 0.51 N ATOM 257 CA THR A 17 27.271 -0.889 0.822 1.00 0.66 C ATOM 258 C THR A 17 26.862 -1.375 -0.588 1.00 0.63 C ATOM 259 O THR A 17 26.286 -2.437 -0.695 1.00 0.63 O ATOM 260 CB THR A 17 28.066 -2.058 1.522 1.00 0.86 C ATOM 261 OG1 THR A 17 29.190 -1.472 2.175 1.00 1.11 O ATOM 262 CG2 THR A 17 28.697 -3.009 0.534 1.00 0.94 C ATOM 0 H THR A 17 25.535 -0.999 2.064 1.00 0.51 H new ATOM 0 HA THR A 17 27.815 0.020 0.567 1.00 0.66 H new ATOM 0 HB THR A 17 27.360 -2.583 2.166 1.00 0.86 H new ATOM 0 HG1 THR A 17 29.709 -2.172 2.624 1.00 1.11 H new ATOM 0 HG21 THR A 17 29.230 -3.792 1.073 1.00 0.94 H new ATOM 0 HG22 THR A 17 27.921 -3.458 -0.085 1.00 0.94 H new ATOM 0 HG23 THR A 17 29.396 -2.464 -0.100 1.00 0.94 H new ATOM 270 N LYS A 18 27.125 -0.592 -1.612 1.00 0.63 N ATOM 271 CA LYS A 18 26.839 -0.925 -3.058 1.00 0.64 C ATOM 272 C LYS A 18 26.648 -2.463 -3.292 1.00 0.70 C ATOM 273 O LYS A 18 27.607 -3.146 -3.606 1.00 0.92 O ATOM 274 CB LYS A 18 28.052 -0.374 -3.856 1.00 0.69 C ATOM 275 CG LYS A 18 29.353 -0.899 -3.172 1.00 0.96 C ATOM 276 CD LYS A 18 30.577 -0.743 -4.079 1.00 1.08 C ATOM 277 CE LYS A 18 31.712 -1.575 -3.460 1.00 1.67 C ATOM 278 NZ LYS A 18 32.894 -1.454 -4.357 1.00 3.02 N ATOM 0 H LYS A 18 27.555 0.326 -1.497 1.00 0.63 H new ATOM 0 HA LYS A 18 25.901 -0.476 -3.383 1.00 0.64 H new ATOM 0 HB2 LYS A 18 28.007 -0.703 -4.894 1.00 0.69 H new ATOM 0 HB3 LYS A 18 28.039 0.716 -3.866 1.00 0.69 H new ATOM 0 HG2 LYS A 18 29.519 -0.356 -2.242 1.00 0.96 H new ATOM 0 HG3 LYS A 18 29.227 -1.949 -2.910 1.00 0.96 H new ATOM 0 HD2 LYS A 18 30.354 -1.088 -5.089 1.00 1.08 H new ATOM 0 HD3 LYS A 18 30.867 0.305 -4.157 1.00 1.08 H new ATOM 0 HE2 LYS A 18 31.951 -1.214 -2.460 1.00 1.67 H new ATOM 0 HE3 LYS A 18 31.412 -2.618 -3.359 1.00 1.67 H new ATOM 0 HZ1 LYS A 18 33.684 -2.007 -3.967 1.00 3.02 H new ATOM 0 HZ2 LYS A 18 32.651 -1.815 -5.302 1.00 3.02 H new ATOM 0 HZ3 LYS A 18 33.174 -0.455 -4.430 1.00 3.02 H new ATOM 292 N PRO A 19 25.464 -2.988 -3.144 1.00 0.53 N ATOM 293 CA PRO A 19 25.258 -4.442 -3.342 1.00 0.59 C ATOM 294 C PRO A 19 25.804 -5.157 -4.593 1.00 0.63 C ATOM 295 O PRO A 19 26.236 -4.590 -5.589 1.00 0.78 O ATOM 296 CB PRO A 19 23.756 -4.558 -3.171 1.00 0.39 C ATOM 297 CG PRO A 19 23.462 -3.429 -2.153 1.00 0.27 C ATOM 298 CD PRO A 19 24.225 -2.269 -2.758 1.00 0.29 C ATOM 0 HA PRO A 19 25.879 -4.993 -2.636 1.00 0.59 H new ATOM 0 HB2 PRO A 19 23.225 -4.408 -4.111 1.00 0.39 H new ATOM 0 HB3 PRO A 19 23.463 -5.537 -2.791 1.00 0.39 H new ATOM 0 HG2 PRO A 19 22.396 -3.219 -2.070 1.00 0.27 H new ATOM 0 HG3 PRO A 19 23.817 -3.676 -1.153 1.00 0.27 H new ATOM 0 HD2 PRO A 19 23.712 -1.826 -3.611 1.00 0.29 H new ATOM 0 HD3 PRO A 19 24.408 -1.466 -2.044 1.00 0.29 H new ATOM 306 N ALA A 20 25.762 -6.454 -4.463 1.00 0.45 N ATOM 307 CA ALA A 20 26.233 -7.343 -5.551 1.00 0.40 C ATOM 308 C ALA A 20 25.543 -6.928 -6.850 1.00 0.51 C ATOM 309 O ALA A 20 24.338 -6.751 -6.908 1.00 0.41 O ATOM 310 CB ALA A 20 25.876 -8.785 -5.197 1.00 0.28 C ATOM 0 H ALA A 20 25.415 -6.938 -3.635 1.00 0.45 H new ATOM 0 HA ALA A 20 27.313 -7.265 -5.676 1.00 0.40 H new ATOM 0 HB1 ALA A 20 26.218 -9.450 -5.990 1.00 0.28 H new ATOM 0 HB2 ALA A 20 26.360 -9.060 -4.260 1.00 0.28 H new ATOM 0 HB3 ALA A 20 24.795 -8.876 -5.088 1.00 0.28 H new ATOM 316 N ASP A 21 26.328 -6.761 -7.869 1.00 0.75 N ATOM 317 CA ASP A 21 25.765 -6.366 -9.179 1.00 0.93 C ATOM 318 C ASP A 21 24.449 -7.132 -9.453 1.00 0.84 C ATOM 319 O ASP A 21 23.466 -6.485 -9.723 1.00 0.83 O ATOM 320 CB ASP A 21 26.918 -6.625 -10.136 1.00 1.26 C ATOM 321 CG ASP A 21 28.019 -5.655 -9.724 1.00 1.31 C ATOM 322 OD1 ASP A 21 28.725 -5.851 -8.746 1.00 1.32 O ATOM 323 OD2 ASP A 21 28.080 -4.670 -10.424 1.00 1.81 O ATOM 0 H ASP A 21 27.341 -6.882 -7.850 1.00 0.75 H new ATOM 0 HA ASP A 21 25.444 -5.328 -9.267 1.00 0.93 H new ATOM 0 HB2 ASP A 21 27.260 -7.658 -10.067 1.00 1.26 H new ATOM 0 HB3 ASP A 21 26.615 -6.458 -11.169 1.00 1.26 H new ATOM 328 N GLU A 22 24.393 -8.439 -9.382 1.00 0.89 N ATOM 329 CA GLU A 22 23.097 -9.160 -9.639 1.00 0.93 C ATOM 330 C GLU A 22 21.906 -8.544 -8.841 1.00 0.71 C ATOM 331 O GLU A 22 20.789 -8.393 -9.311 1.00 0.76 O ATOM 332 CB GLU A 22 23.270 -10.648 -9.236 1.00 1.13 C ATOM 333 CG GLU A 22 24.227 -11.401 -10.214 1.00 1.54 C ATOM 334 CD GLU A 22 24.428 -12.898 -9.851 1.00 1.93 C ATOM 335 OE1 GLU A 22 23.978 -13.327 -8.796 1.00 2.64 O ATOM 336 OE2 GLU A 22 25.047 -13.542 -10.685 1.00 1.84 O ATOM 0 H GLU A 22 25.185 -9.042 -9.158 1.00 0.89 H new ATOM 0 HA GLU A 22 22.862 -9.064 -10.699 1.00 0.93 H new ATOM 0 HB2 GLU A 22 23.665 -10.707 -8.222 1.00 1.13 H new ATOM 0 HB3 GLU A 22 22.297 -11.139 -9.228 1.00 1.13 H new ATOM 0 HG2 GLU A 22 23.829 -11.331 -11.226 1.00 1.54 H new ATOM 0 HG3 GLU A 22 25.196 -10.902 -10.218 1.00 1.54 H new ATOM 343 N GLU A 23 22.183 -8.165 -7.620 1.00 0.49 N ATOM 344 CA GLU A 23 21.097 -7.575 -6.785 1.00 0.42 C ATOM 345 C GLU A 23 20.799 -6.170 -7.257 1.00 0.35 C ATOM 346 O GLU A 23 19.645 -5.796 -7.359 1.00 0.37 O ATOM 347 CB GLU A 23 21.544 -7.583 -5.317 1.00 0.40 C ATOM 348 CG GLU A 23 21.903 -9.043 -4.940 1.00 0.40 C ATOM 349 CD GLU A 23 21.949 -9.044 -3.442 1.00 0.68 C ATOM 350 OE1 GLU A 23 20.827 -9.189 -2.991 1.00 1.34 O ATOM 351 OE2 GLU A 23 23.024 -8.882 -2.885 1.00 1.56 O ATOM 0 H GLU A 23 23.097 -8.237 -7.172 1.00 0.49 H new ATOM 0 HA GLU A 23 20.184 -8.162 -6.879 1.00 0.42 H new ATOM 0 HB2 GLU A 23 22.405 -6.929 -5.176 1.00 0.40 H new ATOM 0 HB3 GLU A 23 20.749 -7.207 -4.673 1.00 0.40 H new ATOM 0 HG2 GLU A 23 21.157 -9.744 -5.315 1.00 0.40 H new ATOM 0 HG3 GLU A 23 22.861 -9.339 -5.367 1.00 0.40 H new ATOM 358 N MET A 24 21.858 -5.459 -7.535 1.00 0.30 N ATOM 359 CA MET A 24 21.776 -4.076 -8.013 1.00 0.31 C ATOM 360 C MET A 24 21.085 -4.150 -9.409 1.00 0.35 C ATOM 361 O MET A 24 20.425 -3.216 -9.801 1.00 0.75 O ATOM 362 CB MET A 24 23.249 -3.618 -7.970 1.00 0.20 C ATOM 363 CG MET A 24 23.741 -3.257 -6.564 1.00 0.26 C ATOM 364 SD MET A 24 25.185 -2.154 -6.479 1.00 0.43 S ATOM 365 CE MET A 24 24.528 -0.640 -7.231 1.00 0.65 C ATOM 0 H MET A 24 22.811 -5.809 -7.441 1.00 0.30 H new ATOM 0 HA MET A 24 21.186 -3.353 -7.450 1.00 0.31 H new ATOM 0 HB2 MET A 24 23.879 -4.411 -8.373 1.00 0.20 H new ATOM 0 HB3 MET A 24 23.370 -2.752 -8.621 1.00 0.20 H new ATOM 0 HG2 MET A 24 22.919 -2.788 -6.023 1.00 0.26 H new ATOM 0 HG3 MET A 24 23.983 -4.180 -6.038 1.00 0.26 H new ATOM 0 HE1 MET A 24 25.354 -0.015 -7.571 1.00 0.65 H new ATOM 0 HE2 MET A 24 23.896 -0.900 -8.080 1.00 0.65 H new ATOM 0 HE3 MET A 24 23.939 -0.094 -6.494 1.00 0.65 H new ATOM 375 N LEU A 25 21.259 -5.251 -10.105 1.00 0.54 N ATOM 376 CA LEU A 25 20.681 -5.544 -11.445 1.00 0.59 C ATOM 377 C LEU A 25 19.179 -5.655 -11.245 1.00 0.52 C ATOM 378 O LEU A 25 18.404 -4.879 -11.771 1.00 0.53 O ATOM 379 CB LEU A 25 21.268 -6.882 -11.933 1.00 0.76 C ATOM 380 CG LEU A 25 22.456 -6.606 -12.772 1.00 0.80 C ATOM 381 CD1 LEU A 25 23.437 -7.676 -12.839 1.00 0.92 C ATOM 382 CD2 LEU A 25 22.039 -6.213 -14.178 1.00 0.66 C ATOM 0 H LEU A 25 21.832 -6.019 -9.755 1.00 0.54 H new ATOM 0 HA LEU A 25 20.907 -4.775 -12.183 1.00 0.59 H new ATOM 0 HB2 LEU A 25 21.544 -7.505 -11.082 1.00 0.76 H new ATOM 0 HB3 LEU A 25 20.523 -7.435 -12.505 1.00 0.76 H new ATOM 0 HG LEU A 25 22.957 -5.780 -12.267 1.00 0.80 H new ATOM 0 HD11 LEU A 25 24.265 -7.371 -13.478 1.00 0.92 H new ATOM 0 HD12 LEU A 25 23.811 -7.890 -11.838 1.00 0.92 H new ATOM 0 HD13 LEU A 25 22.971 -8.571 -13.251 1.00 0.92 H new ATOM 0 HD21 LEU A 25 22.927 -6.014 -14.779 1.00 0.66 H new ATOM 0 HD22 LEU A 25 21.470 -7.026 -14.629 1.00 0.66 H new ATOM 0 HD23 LEU A 25 21.421 -5.316 -14.137 1.00 0.66 H new ATOM 394 N PHE A 26 18.839 -6.654 -10.470 1.00 0.49 N ATOM 395 CA PHE A 26 17.416 -6.916 -10.156 1.00 0.49 C ATOM 396 C PHE A 26 16.795 -5.584 -9.763 1.00 0.35 C ATOM 397 O PHE A 26 15.954 -5.030 -10.438 1.00 0.23 O ATOM 398 CB PHE A 26 17.370 -7.915 -8.999 1.00 0.42 C ATOM 399 CG PHE A 26 15.922 -8.247 -8.630 1.00 0.59 C ATOM 400 CD1 PHE A 26 14.998 -7.264 -8.285 1.00 1.22 C ATOM 401 CD2 PHE A 26 15.528 -9.575 -8.646 1.00 1.26 C ATOM 402 CE1 PHE A 26 13.717 -7.634 -7.971 1.00 1.32 C ATOM 403 CE2 PHE A 26 14.237 -9.930 -8.324 1.00 1.44 C ATOM 404 CZ PHE A 26 13.333 -8.957 -7.987 1.00 1.05 C ATOM 0 H PHE A 26 19.499 -7.302 -10.041 1.00 0.49 H new ATOM 0 HA PHE A 26 16.867 -7.335 -10.999 1.00 0.49 H new ATOM 0 HB2 PHE A 26 17.898 -8.827 -9.278 1.00 0.42 H new ATOM 0 HB3 PHE A 26 17.886 -7.500 -8.133 1.00 0.42 H new ATOM 0 HD1 PHE A 26 15.287 -6.224 -8.265 1.00 1.22 H new ATOM 0 HD2 PHE A 26 16.241 -10.340 -8.914 1.00 1.26 H new ATOM 0 HE1 PHE A 26 12.995 -6.875 -7.706 1.00 1.32 H new ATOM 0 HE2 PHE A 26 13.939 -10.968 -8.337 1.00 1.44 H new ATOM 0 HZ PHE A 26 12.319 -9.227 -7.734 1.00 1.05 H new ATOM 414 N ILE A 27 17.262 -5.114 -8.645 1.00 0.36 N ATOM 415 CA ILE A 27 16.783 -3.839 -8.086 1.00 0.23 C ATOM 416 C ILE A 27 16.756 -2.765 -9.157 1.00 0.15 C ATOM 417 O ILE A 27 15.699 -2.295 -9.497 1.00 0.12 O ATOM 418 CB ILE A 27 17.724 -3.562 -6.942 1.00 0.23 C ATOM 419 CG1 ILE A 27 17.523 -4.734 -5.867 1.00 0.30 C ATOM 420 CG2 ILE A 27 17.329 -2.187 -6.423 1.00 0.14 C ATOM 421 CD1 ILE A 27 16.639 -4.321 -4.737 1.00 0.20 C ATOM 0 H ILE A 27 17.976 -5.579 -8.085 1.00 0.36 H new ATOM 0 HA ILE A 27 15.755 -3.867 -7.726 1.00 0.23 H new ATOM 0 HB ILE A 27 18.781 -3.550 -7.207 1.00 0.23 H new ATOM 0 HG12 ILE A 27 17.095 -5.607 -6.360 1.00 0.30 H new ATOM 0 HG13 ILE A 27 18.494 -5.034 -5.474 1.00 0.30 H new ATOM 0 HG21 ILE A 27 17.972 -1.915 -5.586 1.00 0.14 H new ATOM 0 HG22 ILE A 27 17.440 -1.452 -7.220 1.00 0.14 H new ATOM 0 HG23 ILE A 27 16.291 -2.208 -6.091 1.00 0.14 H new ATOM 0 HD11 ILE A 27 16.534 -5.149 -4.036 1.00 0.20 H new ATOM 0 HD12 ILE A 27 17.079 -3.465 -4.225 1.00 0.20 H new ATOM 0 HD13 ILE A 27 15.658 -4.047 -5.124 1.00 0.20 H new ATOM 433 N TYR A 28 17.881 -2.376 -9.679 1.00 0.19 N ATOM 434 CA TYR A 28 17.864 -1.326 -10.739 1.00 0.20 C ATOM 435 C TYR A 28 16.779 -1.542 -11.817 1.00 0.11 C ATOM 436 O TYR A 28 15.892 -0.723 -11.992 1.00 0.10 O ATOM 437 CB TYR A 28 19.212 -1.296 -11.419 1.00 0.32 C ATOM 438 CG TYR A 28 19.099 -0.218 -12.471 1.00 0.31 C ATOM 439 CD1 TYR A 28 19.415 1.065 -12.122 1.00 0.59 C ATOM 440 CD2 TYR A 28 18.666 -0.500 -13.752 1.00 0.58 C ATOM 441 CE1 TYR A 28 19.306 2.065 -13.031 1.00 0.64 C ATOM 442 CE2 TYR A 28 18.559 0.523 -14.662 1.00 0.56 C ATOM 443 CZ TYR A 28 18.879 1.809 -14.303 1.00 0.39 C ATOM 444 OH TYR A 28 18.755 2.847 -15.197 1.00 0.48 O ATOM 0 H TYR A 28 18.803 -2.732 -9.425 1.00 0.19 H new ATOM 0 HA TYR A 28 17.634 -0.385 -10.239 1.00 0.20 H new ATOM 0 HB2 TYR A 28 20.007 -1.071 -10.708 1.00 0.32 H new ATOM 0 HB3 TYR A 28 19.449 -2.261 -11.867 1.00 0.32 H new ATOM 0 HD1 TYR A 28 19.752 1.283 -11.119 1.00 0.59 H new ATOM 0 HD2 TYR A 28 18.415 -1.512 -14.034 1.00 0.58 H new ATOM 0 HE1 TYR A 28 19.560 3.075 -12.746 1.00 0.64 H new ATOM 0 HE2 TYR A 28 18.221 0.315 -15.666 1.00 0.56 H new ATOM 0 HH TYR A 28 19.497 3.475 -15.074 1.00 0.48 H new ATOM 454 N SER A 29 16.890 -2.648 -12.502 1.00 0.11 N ATOM 455 CA SER A 29 15.889 -2.958 -13.585 1.00 0.09 C ATOM 456 C SER A 29 14.462 -2.771 -13.084 1.00 0.09 C ATOM 457 O SER A 29 13.693 -2.021 -13.659 1.00 0.11 O ATOM 458 CB SER A 29 16.119 -4.400 -14.063 1.00 0.08 C ATOM 459 OG SER A 29 15.939 -5.179 -12.887 1.00 0.29 O ATOM 0 H SER A 29 17.619 -3.349 -12.367 1.00 0.11 H new ATOM 0 HA SER A 29 16.027 -2.268 -14.418 1.00 0.09 H new ATOM 0 HB2 SER A 29 15.410 -4.681 -14.842 1.00 0.08 H new ATOM 0 HB3 SER A 29 17.118 -4.529 -14.480 1.00 0.08 H new ATOM 0 HG SER A 29 16.524 -4.840 -12.178 1.00 0.29 H new ATOM 465 N HIS A 30 14.152 -3.449 -12.020 1.00 0.08 N ATOM 466 CA HIS A 30 12.811 -3.371 -11.415 1.00 0.10 C ATOM 467 C HIS A 30 12.492 -1.926 -11.054 1.00 0.13 C ATOM 468 O HIS A 30 11.461 -1.425 -11.439 1.00 0.17 O ATOM 469 CB HIS A 30 12.904 -4.327 -10.270 1.00 0.14 C ATOM 470 CG HIS A 30 12.903 -5.701 -10.925 1.00 0.30 C ATOM 471 ND1 HIS A 30 13.877 -6.277 -11.551 1.00 1.59 N ATOM 472 CD2 HIS A 30 11.876 -6.595 -10.998 1.00 0.89 C ATOM 473 CE1 HIS A 30 13.486 -7.440 -11.976 1.00 1.30 C ATOM 474 NE2 HIS A 30 12.241 -7.679 -11.650 1.00 0.35 N ATOM 0 H HIS A 30 14.797 -4.072 -11.534 1.00 0.08 H new ATOM 0 HA HIS A 30 11.979 -3.650 -12.061 1.00 0.10 H new ATOM 0 HB2 HIS A 30 13.812 -4.164 -9.689 1.00 0.14 H new ATOM 0 HB3 HIS A 30 12.063 -4.212 -9.586 1.00 0.14 H new ATOM 0 HD1 HIS A 30 14.806 -5.880 -11.689 1.00 1.59 H new ATOM 0 HD2 HIS A 30 10.894 -6.435 -10.577 1.00 0.89 H new ATOM 0 HE1 HIS A 30 14.111 -8.125 -12.530 1.00 1.30 H new ATOM 482 N TYR A 31 13.355 -1.276 -10.341 1.00 0.14 N ATOM 483 CA TYR A 31 13.148 0.135 -9.948 1.00 0.21 C ATOM 484 C TYR A 31 12.796 0.990 -11.184 1.00 0.26 C ATOM 485 O TYR A 31 11.743 1.591 -11.260 1.00 0.32 O ATOM 486 CB TYR A 31 14.420 0.630 -9.379 1.00 0.25 C ATOM 487 CG TYR A 31 14.245 2.069 -8.934 1.00 0.25 C ATOM 488 CD1 TYR A 31 13.449 2.501 -7.882 1.00 1.22 C ATOM 489 CD2 TYR A 31 14.927 2.979 -9.681 1.00 1.43 C ATOM 490 CE1 TYR A 31 13.361 3.850 -7.617 1.00 1.24 C ATOM 491 CE2 TYR A 31 14.834 4.311 -9.410 1.00 1.42 C ATOM 492 CZ TYR A 31 14.053 4.752 -8.381 1.00 0.32 C ATOM 493 OH TYR A 31 13.973 6.101 -8.134 1.00 0.37 O ATOM 0 H TYR A 31 14.228 -1.680 -10.002 1.00 0.14 H new ATOM 0 HA TYR A 31 12.333 0.204 -9.228 1.00 0.21 H new ATOM 0 HB2 TYR A 31 14.719 0.010 -8.534 1.00 0.25 H new ATOM 0 HB3 TYR A 31 15.215 0.561 -10.122 1.00 0.25 H new ATOM 0 HD1 TYR A 31 12.906 1.789 -7.279 1.00 1.22 H new ATOM 0 HD2 TYR A 31 15.549 2.642 -10.497 1.00 1.43 H new ATOM 0 HE1 TYR A 31 12.743 4.198 -6.803 1.00 1.24 H new ATOM 0 HE2 TYR A 31 15.381 5.021 -10.012 1.00 1.42 H new ATOM 0 HH TYR A 31 14.532 6.585 -8.777 1.00 0.37 H new ATOM 503 N LYS A 32 13.718 1.027 -12.120 1.00 0.24 N ATOM 504 CA LYS A 32 13.502 1.821 -13.356 1.00 0.23 C ATOM 505 C LYS A 32 12.197 1.478 -14.035 1.00 0.20 C ATOM 506 O LYS A 32 11.467 2.396 -14.337 1.00 0.16 O ATOM 507 CB LYS A 32 14.697 1.578 -14.225 1.00 0.32 C ATOM 508 CG LYS A 32 15.972 2.106 -13.540 1.00 0.43 C ATOM 509 CD LYS A 32 15.856 3.535 -12.885 1.00 0.43 C ATOM 510 CE LYS A 32 16.050 4.650 -13.886 1.00 0.63 C ATOM 511 NZ LYS A 32 17.500 4.683 -14.177 1.00 0.45 N ATOM 0 H LYS A 32 14.611 0.537 -12.073 1.00 0.24 H new ATOM 0 HA LYS A 32 13.411 2.883 -13.129 1.00 0.23 H new ATOM 0 HB2 LYS A 32 14.799 0.511 -14.425 1.00 0.32 H new ATOM 0 HB3 LYS A 32 14.562 2.072 -15.187 1.00 0.32 H new ATOM 0 HG2 LYS A 32 16.268 1.396 -12.768 1.00 0.43 H new ATOM 0 HG3 LYS A 32 16.775 2.129 -14.277 1.00 0.43 H new ATOM 0 HD2 LYS A 32 14.877 3.638 -12.417 1.00 0.43 H new ATOM 0 HD3 LYS A 32 16.599 3.629 -12.093 1.00 0.43 H new ATOM 0 HE2 LYS A 32 15.473 4.466 -14.793 1.00 0.63 H new ATOM 0 HE3 LYS A 32 15.711 5.603 -13.480 1.00 0.63 H new ATOM 0 HZ1 LYS A 32 17.684 5.353 -14.951 1.00 0.45 H new ATOM 0 HZ2 LYS A 32 18.018 4.985 -13.327 1.00 0.45 H new ATOM 0 HZ3 LYS A 32 17.819 3.734 -14.458 1.00 0.45 H new ATOM 525 N GLN A 33 11.909 0.234 -14.307 1.00 0.23 N ATOM 526 CA GLN A 33 10.573 -0.005 -14.951 1.00 0.20 C ATOM 527 C GLN A 33 9.450 0.456 -14.011 1.00 0.18 C ATOM 528 O GLN A 33 8.531 1.121 -14.450 1.00 0.15 O ATOM 529 CB GLN A 33 10.411 -1.479 -15.301 1.00 0.32 C ATOM 530 CG GLN A 33 9.948 -1.615 -16.813 1.00 0.79 C ATOM 531 CD GLN A 33 8.435 -1.231 -16.918 1.00 0.92 C ATOM 532 OE1 GLN A 33 7.659 -1.556 -16.044 1.00 1.17 O ATOM 533 NE2 GLN A 33 7.918 -0.580 -17.913 1.00 1.74 N ATOM 0 H GLN A 33 12.493 -0.583 -14.129 1.00 0.23 H new ATOM 0 HA GLN A 33 10.514 0.573 -15.873 1.00 0.20 H new ATOM 0 HB2 GLN A 33 11.353 -2.006 -15.149 1.00 0.32 H new ATOM 0 HB3 GLN A 33 9.677 -1.942 -14.641 1.00 0.32 H new ATOM 0 HG2 GLN A 33 10.547 -0.964 -17.450 1.00 0.79 H new ATOM 0 HG3 GLN A 33 10.103 -2.635 -17.164 1.00 0.79 H new ATOM 0 HE21 GLN A 33 8.510 -0.274 -18.685 1.00 1.74 H new ATOM 0 HE22 GLN A 33 6.919 -0.374 -17.924 1.00 1.74 H new ATOM 542 N ALA A 34 9.545 0.117 -12.748 1.00 0.22 N ATOM 543 CA ALA A 34 8.490 0.532 -11.771 1.00 0.25 C ATOM 544 C ALA A 34 8.207 2.044 -11.773 1.00 0.26 C ATOM 545 O ALA A 34 7.080 2.490 -11.726 1.00 0.30 O ATOM 546 CB ALA A 34 8.927 0.117 -10.376 1.00 0.22 C ATOM 0 H ALA A 34 10.309 -0.430 -12.351 1.00 0.22 H new ATOM 0 HA ALA A 34 7.566 0.038 -12.072 1.00 0.25 H new ATOM 0 HB1 ALA A 34 8.167 0.414 -9.653 1.00 0.22 H new ATOM 0 HB2 ALA A 34 9.057 -0.965 -10.342 1.00 0.22 H new ATOM 0 HB3 ALA A 34 9.871 0.604 -10.130 1.00 0.22 H new ATOM 552 N THR A 35 9.286 2.771 -11.831 1.00 0.30 N ATOM 553 CA THR A 35 9.278 4.286 -11.840 1.00 0.31 C ATOM 554 C THR A 35 9.266 4.953 -13.219 1.00 0.25 C ATOM 555 O THR A 35 8.363 5.703 -13.530 1.00 0.32 O ATOM 556 CB THR A 35 10.528 4.862 -11.120 1.00 0.27 C ATOM 557 OG1 THR A 35 11.592 4.280 -11.862 1.00 0.27 O ATOM 558 CG2 THR A 35 10.755 4.282 -9.760 1.00 0.24 C ATOM 0 H THR A 35 10.223 2.370 -11.875 1.00 0.30 H new ATOM 0 HA THR A 35 8.339 4.513 -11.336 1.00 0.31 H new ATOM 0 HB THR A 35 10.439 5.946 -11.049 1.00 0.27 H new ATOM 0 HG1 THR A 35 11.746 3.364 -11.549 1.00 0.27 H new ATOM 0 HG21 THR A 35 11.644 4.730 -9.317 1.00 0.24 H new ATOM 0 HG22 THR A 35 9.891 4.488 -9.128 1.00 0.24 H new ATOM 0 HG23 THR A 35 10.895 3.204 -9.843 1.00 0.24 H new ATOM 566 N VAL A 36 10.243 4.644 -14.019 1.00 0.17 N ATOM 567 CA VAL A 36 10.394 5.224 -15.396 1.00 0.19 C ATOM 568 C VAL A 36 9.479 4.619 -16.446 1.00 0.38 C ATOM 569 O VAL A 36 8.601 5.260 -16.997 1.00 0.57 O ATOM 570 CB VAL A 36 11.883 5.031 -15.910 1.00 0.19 C ATOM 571 CG1 VAL A 36 12.117 5.851 -17.181 1.00 0.34 C ATOM 572 CG2 VAL A 36 12.919 5.361 -14.893 1.00 0.11 C ATOM 0 H VAL A 36 10.980 3.984 -13.770 1.00 0.17 H new ATOM 0 HA VAL A 36 10.122 6.273 -15.282 1.00 0.19 H new ATOM 0 HB VAL A 36 11.991 3.968 -16.124 1.00 0.19 H new ATOM 0 HG11 VAL A 36 13.142 5.709 -17.522 1.00 0.34 H new ATOM 0 HG12 VAL A 36 11.427 5.522 -17.958 1.00 0.34 H new ATOM 0 HG13 VAL A 36 11.948 6.907 -16.969 1.00 0.34 H new ATOM 0 HG21 VAL A 36 13.910 5.204 -15.319 1.00 0.11 H new ATOM 0 HG22 VAL A 36 12.814 6.403 -14.592 1.00 0.11 H new ATOM 0 HG23 VAL A 36 12.792 4.717 -14.022 1.00 0.11 H new ATOM 582 N GLY A 37 9.756 3.367 -16.628 1.00 0.32 N ATOM 583 CA GLY A 37 9.065 2.460 -17.607 1.00 0.46 C ATOM 584 C GLY A 37 10.135 2.132 -18.667 1.00 0.53 C ATOM 585 O GLY A 37 10.863 1.172 -18.481 1.00 0.43 O ATOM 0 H GLY A 37 10.489 2.892 -16.101 1.00 0.32 H new ATOM 0 HA2 GLY A 37 8.702 1.555 -17.119 1.00 0.46 H new ATOM 0 HA3 GLY A 37 8.201 2.949 -18.056 1.00 0.46 H new ATOM 589 N ASP A 38 10.212 2.931 -19.703 1.00 0.75 N ATOM 590 CA ASP A 38 11.215 2.701 -20.783 1.00 0.88 C ATOM 591 C ASP A 38 12.588 3.362 -20.530 1.00 0.86 C ATOM 592 O ASP A 38 12.744 4.248 -19.714 1.00 0.87 O ATOM 593 CB ASP A 38 10.648 3.233 -22.125 1.00 1.08 C ATOM 594 CG ASP A 38 9.459 2.463 -22.660 1.00 1.14 C ATOM 595 OD1 ASP A 38 8.371 2.769 -22.212 1.00 1.34 O ATOM 596 OD2 ASP A 38 9.720 1.608 -23.493 1.00 1.78 O ATOM 0 H ASP A 38 9.613 3.744 -19.846 1.00 0.75 H new ATOM 0 HA ASP A 38 11.388 1.625 -20.809 1.00 0.88 H new ATOM 0 HB2 ASP A 38 10.359 4.276 -21.994 1.00 1.08 H new ATOM 0 HB3 ASP A 38 11.442 3.214 -22.872 1.00 1.08 H new ATOM 601 N ILE A 39 13.549 2.908 -21.285 1.00 0.96 N ATOM 602 CA ILE A 39 14.944 3.443 -21.141 1.00 0.94 C ATOM 603 C ILE A 39 15.418 4.421 -22.254 1.00 1.17 C ATOM 604 O ILE A 39 15.358 4.167 -23.441 1.00 1.30 O ATOM 605 CB ILE A 39 15.769 2.138 -20.996 1.00 0.82 C ATOM 606 CG1 ILE A 39 17.268 2.335 -20.760 1.00 0.74 C ATOM 607 CG2 ILE A 39 15.543 1.243 -22.204 1.00 0.79 C ATOM 608 CD1 ILE A 39 17.867 0.939 -20.415 1.00 0.52 C ATOM 0 H ILE A 39 13.434 2.188 -21.999 1.00 0.96 H new ATOM 0 HA ILE A 39 15.054 4.117 -20.291 1.00 0.94 H new ATOM 0 HB ILE A 39 15.399 1.665 -20.087 1.00 0.82 H new ATOM 0 HG12 ILE A 39 17.746 2.750 -21.647 1.00 0.74 H new ATOM 0 HG13 ILE A 39 17.440 3.039 -19.946 1.00 0.74 H new ATOM 0 HG21 ILE A 39 16.126 0.329 -22.094 1.00 0.79 H new ATOM 0 HG22 ILE A 39 14.485 0.992 -22.278 1.00 0.79 H new ATOM 0 HG23 ILE A 39 15.856 1.766 -23.108 1.00 0.79 H new ATOM 0 HD11 ILE A 39 18.938 1.036 -20.239 1.00 0.52 H new ATOM 0 HD12 ILE A 39 17.386 0.548 -19.518 1.00 0.52 H new ATOM 0 HD13 ILE A 39 17.697 0.254 -21.246 1.00 0.52 H new ATOM 620 N ASN A 40 15.888 5.546 -21.782 1.00 1.22 N ATOM 621 CA ASN A 40 16.402 6.663 -22.665 1.00 1.42 C ATOM 622 C ASN A 40 17.794 7.137 -22.204 1.00 1.41 C ATOM 623 O ASN A 40 18.133 8.305 -22.150 1.00 1.55 O ATOM 624 CB ASN A 40 15.329 7.786 -22.594 1.00 1.56 C ATOM 625 CG ASN A 40 14.805 7.899 -21.162 1.00 1.27 C ATOM 626 OD1 ASN A 40 15.486 8.297 -20.247 1.00 1.46 O ATOM 627 ND2 ASN A 40 13.592 7.555 -20.888 1.00 0.94 N ATOM 0 H ASN A 40 15.943 5.753 -20.785 1.00 1.22 H new ATOM 0 HA ASN A 40 16.542 6.339 -23.696 1.00 1.42 H new ATOM 0 HB2 ASN A 40 15.759 8.736 -22.911 1.00 1.56 H new ATOM 0 HB3 ASN A 40 14.509 7.564 -23.277 1.00 1.56 H new ATOM 0 HD21 ASN A 40 13.246 7.625 -19.931 1.00 0.94 H new ATOM 0 HD22 ASN A 40 12.979 7.213 -21.628 1.00 0.94 H new ATOM 634 N THR A 41 18.568 6.140 -21.891 1.00 1.28 N ATOM 635 CA THR A 41 19.971 6.358 -21.404 1.00 1.27 C ATOM 636 C THR A 41 20.936 5.419 -22.152 1.00 1.18 C ATOM 637 O THR A 41 20.490 4.651 -22.977 1.00 1.09 O ATOM 638 CB THR A 41 19.992 6.085 -19.874 1.00 1.22 C ATOM 639 OG1 THR A 41 20.161 4.685 -19.734 1.00 1.53 O ATOM 640 CG2 THR A 41 18.569 6.213 -19.220 1.00 1.00 C ATOM 0 H THR A 41 18.289 5.161 -21.951 1.00 1.28 H new ATOM 0 HA THR A 41 20.295 7.381 -21.596 1.00 1.27 H new ATOM 0 HB THR A 41 20.730 6.760 -19.441 1.00 1.22 H new ATOM 0 HG1 THR A 41 21.101 4.453 -19.882 1.00 1.53 H new ATOM 0 HG21 THR A 41 18.641 6.013 -18.151 1.00 1.00 H new ATOM 0 HG22 THR A 41 18.187 7.222 -19.375 1.00 1.00 H new ATOM 0 HG23 THR A 41 17.891 5.493 -19.680 1.00 1.00 H new ATOM 648 N GLU A 42 22.209 5.466 -21.864 1.00 1.20 N ATOM 649 CA GLU A 42 23.217 4.577 -22.556 1.00 1.18 C ATOM 650 C GLU A 42 23.897 3.409 -21.831 1.00 1.13 C ATOM 651 O GLU A 42 23.778 3.212 -20.637 1.00 1.21 O ATOM 652 CB GLU A 42 24.258 5.530 -23.100 1.00 1.22 C ATOM 653 CG GLU A 42 23.464 6.285 -24.153 1.00 1.11 C ATOM 654 CD GLU A 42 24.137 7.525 -24.710 1.00 1.39 C ATOM 655 OE1 GLU A 42 25.286 7.743 -24.368 1.00 1.65 O ATOM 656 OE2 GLU A 42 23.420 8.174 -25.452 1.00 2.52 O ATOM 0 H GLU A 42 22.611 6.092 -21.166 1.00 1.20 H new ATOM 0 HA GLU A 42 22.632 4.002 -23.274 1.00 1.18 H new ATOM 0 HB2 GLU A 42 24.649 6.193 -22.328 1.00 1.22 H new ATOM 0 HB3 GLU A 42 25.110 5.004 -23.529 1.00 1.22 H new ATOM 0 HG2 GLU A 42 23.250 5.606 -24.979 1.00 1.11 H new ATOM 0 HG3 GLU A 42 22.505 6.575 -23.722 1.00 1.11 H new ATOM 663 N ARG A 43 24.597 2.676 -22.660 1.00 1.01 N ATOM 664 CA ARG A 43 25.371 1.449 -22.239 1.00 0.97 C ATOM 665 C ARG A 43 26.964 1.371 -22.023 1.00 1.26 C ATOM 666 O ARG A 43 27.675 1.044 -22.958 1.00 1.45 O ATOM 667 CB ARG A 43 24.890 0.396 -23.250 1.00 0.84 C ATOM 668 CG ARG A 43 25.316 -1.002 -22.776 1.00 1.00 C ATOM 669 CD ARG A 43 24.470 -2.010 -23.523 1.00 0.99 C ATOM 670 NE ARG A 43 24.866 -3.347 -22.979 1.00 1.12 N ATOM 671 CZ ARG A 43 25.219 -4.339 -23.697 1.00 1.26 C ATOM 672 NH1 ARG A 43 26.236 -4.250 -24.453 1.00 1.97 N ATOM 673 NH2 ARG A 43 24.490 -5.375 -23.589 1.00 1.60 N ATOM 0 H ARG A 43 24.671 2.882 -23.656 1.00 1.01 H new ATOM 0 HA ARG A 43 25.153 1.345 -21.176 1.00 0.97 H new ATOM 0 HB2 ARG A 43 23.806 0.442 -23.351 1.00 0.84 H new ATOM 0 HB3 ARG A 43 25.311 0.602 -24.234 1.00 0.84 H new ATOM 0 HG2 ARG A 43 26.375 -1.168 -22.974 1.00 1.00 H new ATOM 0 HG3 ARG A 43 25.173 -1.103 -21.700 1.00 1.00 H new ATOM 0 HD2 ARG A 43 23.408 -1.822 -23.368 1.00 0.99 H new ATOM 0 HD3 ARG A 43 24.650 -1.954 -24.597 1.00 0.99 H new ATOM 0 HE ARG A 43 24.852 -3.472 -21.967 1.00 1.12 H new ATOM 0 HH11 ARG A 43 26.772 -3.383 -24.486 1.00 1.97 H new ATOM 0 HH12 ARG A 43 26.516 -5.046 -25.027 1.00 1.97 H new ATOM 0 HH21 ARG A 43 23.687 -5.370 -22.960 1.00 1.60 H new ATOM 0 HH22 ARG A 43 24.708 -6.211 -24.132 1.00 1.60 H new ATOM 687 N PRO A 44 27.469 1.681 -20.836 1.00 1.33 N ATOM 688 CA PRO A 44 28.956 1.640 -20.466 1.00 1.66 C ATOM 689 C PRO A 44 29.937 0.480 -20.983 1.00 2.05 C ATOM 690 O PRO A 44 29.540 -0.476 -21.616 1.00 2.00 O ATOM 691 CB PRO A 44 28.860 1.798 -18.848 1.00 1.44 C ATOM 692 CG PRO A 44 27.682 2.847 -18.819 1.00 1.38 C ATOM 693 CD PRO A 44 26.628 2.156 -19.702 1.00 1.21 C ATOM 0 HA PRO A 44 29.493 2.410 -21.019 1.00 1.66 H new ATOM 0 HB2 PRO A 44 28.615 0.865 -18.340 1.00 1.44 H new ATOM 0 HB3 PRO A 44 29.779 2.174 -18.399 1.00 1.44 H new ATOM 0 HG2 PRO A 44 27.316 3.024 -17.808 1.00 1.38 H new ATOM 0 HG3 PRO A 44 27.984 3.813 -19.222 1.00 1.38 H new ATOM 0 HD2 PRO A 44 26.132 1.335 -19.185 1.00 1.21 H new ATOM 0 HD3 PRO A 44 25.848 2.845 -20.028 1.00 1.21 H new ATOM 701 N GLY A 45 31.210 0.619 -20.678 1.00 2.60 N ATOM 702 CA GLY A 45 32.379 -0.316 -21.030 1.00 3.14 C ATOM 703 C GLY A 45 32.241 -1.841 -21.349 1.00 4.36 C ATOM 704 O GLY A 45 31.384 -2.298 -22.079 1.00 4.45 O ATOM 0 H GLY A 45 31.530 1.426 -20.142 1.00 2.60 H new ATOM 0 HA2 GLY A 45 32.868 0.129 -21.897 1.00 3.14 H new ATOM 0 HA3 GLY A 45 33.080 -0.246 -20.198 1.00 3.14 H new ATOM 708 N MET A 46 33.129 -2.621 -20.776 1.00 5.83 N ATOM 709 CA MET A 46 33.139 -4.105 -20.979 1.00 7.34 C ATOM 710 C MET A 46 32.168 -4.725 -19.955 1.00 6.94 C ATOM 711 O MET A 46 31.188 -5.314 -20.373 1.00 7.59 O ATOM 712 CB MET A 46 34.618 -4.514 -20.822 1.00 8.91 C ATOM 713 CG MET A 46 35.242 -4.302 -19.422 1.00 9.02 C ATOM 714 SD MET A 46 37.036 -4.494 -19.348 1.00 10.76 S ATOM 715 CE MET A 46 37.055 -6.282 -19.098 1.00 12.76 C ATOM 0 H MET A 46 33.867 -2.280 -20.160 1.00 5.83 H new ATOM 0 HA MET A 46 32.792 -4.454 -21.951 1.00 7.34 H new ATOM 0 HB2 MET A 46 34.711 -5.568 -21.082 1.00 8.91 H new ATOM 0 HB3 MET A 46 35.207 -3.953 -21.548 1.00 8.91 H new ATOM 0 HG2 MET A 46 34.984 -3.302 -19.074 1.00 9.02 H new ATOM 0 HG3 MET A 46 34.787 -5.008 -18.728 1.00 9.02 H new ATOM 0 HE1 MET A 46 38.086 -6.628 -19.023 1.00 12.76 H new ATOM 0 HE2 MET A 46 36.522 -6.527 -18.179 1.00 12.76 H new ATOM 0 HE3 MET A 46 36.569 -6.772 -19.941 1.00 12.76 H new ATOM 725 N LEU A 47 32.427 -4.572 -18.678 1.00 6.23 N ATOM 726 CA LEU A 47 31.505 -5.136 -17.615 1.00 5.76 C ATOM 727 C LEU A 47 30.829 -3.879 -17.218 1.00 3.70 C ATOM 728 O LEU A 47 29.616 -3.853 -17.255 1.00 3.60 O ATOM 729 CB LEU A 47 32.065 -5.592 -16.228 1.00 6.41 C ATOM 730 CG LEU A 47 32.192 -7.155 -16.135 1.00 8.35 C ATOM 731 CD1 LEU A 47 30.861 -7.942 -16.536 1.00 9.58 C ATOM 732 CD2 LEU A 47 33.318 -7.559 -17.100 1.00 9.21 C ATOM 0 H LEU A 47 33.242 -4.078 -18.314 1.00 6.23 H new ATOM 0 HA LEU A 47 31.023 -6.014 -18.044 1.00 5.76 H new ATOM 0 HB2 LEU A 47 33.042 -5.138 -16.063 1.00 6.41 H new ATOM 0 HB3 LEU A 47 31.409 -5.233 -15.435 1.00 6.41 H new ATOM 0 HG LEU A 47 32.393 -7.420 -15.097 1.00 8.35 H new ATOM 0 HD11 LEU A 47 31.031 -9.015 -16.445 1.00 9.58 H new ATOM 0 HD12 LEU A 47 30.049 -7.646 -15.871 1.00 9.58 H new ATOM 0 HD13 LEU A 47 30.593 -7.703 -17.565 1.00 9.58 H new ATOM 0 HD21 LEU A 47 33.449 -8.641 -17.074 1.00 9.21 H new ATOM 0 HD22 LEU A 47 33.058 -7.249 -18.112 1.00 9.21 H new ATOM 0 HD23 LEU A 47 34.247 -7.074 -16.799 1.00 9.21 H new ATOM 744 N ASP A 48 31.672 -2.908 -16.873 1.00 2.56 N ATOM 745 CA ASP A 48 31.308 -1.528 -16.414 1.00 1.83 C ATOM 746 C ASP A 48 29.867 -1.635 -15.987 1.00 1.38 C ATOM 747 O ASP A 48 28.920 -0.990 -16.392 1.00 1.23 O ATOM 748 CB ASP A 48 31.653 -0.672 -17.635 1.00 1.42 C ATOM 749 CG ASP A 48 33.168 -0.767 -17.774 1.00 2.25 C ATOM 750 OD1 ASP A 48 33.568 -1.792 -18.301 1.00 1.93 O ATOM 751 OD2 ASP A 48 33.825 0.161 -17.348 1.00 3.70 O ATOM 0 H ASP A 48 32.682 -3.048 -16.900 1.00 2.56 H new ATOM 0 HA ASP A 48 31.816 -1.078 -15.561 1.00 1.83 H new ATOM 0 HB2 ASP A 48 31.152 -1.042 -18.529 1.00 1.42 H new ATOM 0 HB3 ASP A 48 31.334 0.361 -17.495 1.00 1.42 H new ATOM 756 N PHE A 49 29.883 -2.610 -15.123 1.00 1.63 N ATOM 757 CA PHE A 49 28.754 -3.166 -14.380 1.00 1.69 C ATOM 758 C PHE A 49 27.694 -2.207 -14.037 1.00 1.38 C ATOM 759 O PHE A 49 26.571 -2.169 -14.483 1.00 1.27 O ATOM 760 CB PHE A 49 29.349 -3.831 -13.097 1.00 2.15 C ATOM 761 CG PHE A 49 28.957 -5.249 -13.290 1.00 2.42 C ATOM 762 CD1 PHE A 49 27.615 -5.512 -13.275 1.00 3.24 C ATOM 763 CD2 PHE A 49 29.878 -6.218 -13.560 1.00 3.27 C ATOM 764 CE1 PHE A 49 27.178 -6.760 -13.549 1.00 4.87 C ATOM 765 CE2 PHE A 49 29.441 -7.475 -13.838 1.00 5.08 C ATOM 766 CZ PHE A 49 28.094 -7.732 -13.832 1.00 5.83 C ATOM 0 H PHE A 49 30.754 -3.087 -14.890 1.00 1.63 H new ATOM 0 HA PHE A 49 28.244 -3.882 -15.024 1.00 1.69 H new ATOM 0 HB2 PHE A 49 30.430 -3.709 -13.036 1.00 2.15 H new ATOM 0 HB3 PHE A 49 28.928 -3.410 -12.184 1.00 2.15 H new ATOM 0 HD1 PHE A 49 26.910 -4.727 -13.046 1.00 3.24 H new ATOM 0 HD2 PHE A 49 30.934 -5.991 -13.553 1.00 3.27 H new ATOM 0 HE1 PHE A 49 26.122 -6.985 -13.544 1.00 4.87 H new ATOM 0 HE2 PHE A 49 30.146 -8.262 -14.061 1.00 5.08 H new ATOM 0 HZ PHE A 49 27.748 -8.730 -14.057 1.00 5.83 H new ATOM 776 N LYS A 50 28.203 -1.396 -13.194 1.00 1.35 N ATOM 777 CA LYS A 50 27.375 -0.308 -12.629 1.00 1.19 C ATOM 778 C LYS A 50 26.917 0.647 -13.703 1.00 1.09 C ATOM 779 O LYS A 50 26.099 1.497 -13.431 1.00 1.46 O ATOM 780 CB LYS A 50 28.212 0.419 -11.591 1.00 1.29 C ATOM 781 CG LYS A 50 27.955 -0.007 -10.093 1.00 1.87 C ATOM 782 CD LYS A 50 27.752 -1.548 -9.876 1.00 3.46 C ATOM 783 CE LYS A 50 27.954 -1.951 -8.381 1.00 4.60 C ATOM 784 NZ LYS A 50 27.612 -3.404 -8.218 1.00 5.94 N ATOM 0 H LYS A 50 29.166 -1.429 -12.860 1.00 1.35 H new ATOM 0 HA LYS A 50 26.478 -0.726 -12.173 1.00 1.19 H new ATOM 0 HB2 LYS A 50 29.265 0.258 -11.821 1.00 1.29 H new ATOM 0 HB3 LYS A 50 28.026 1.489 -11.684 1.00 1.29 H new ATOM 0 HG2 LYS A 50 28.797 0.324 -9.486 1.00 1.87 H new ATOM 0 HG3 LYS A 50 27.072 0.517 -9.727 1.00 1.87 H new ATOM 0 HD2 LYS A 50 26.750 -1.832 -10.198 1.00 3.46 H new ATOM 0 HD3 LYS A 50 28.455 -2.099 -10.500 1.00 3.46 H new ATOM 0 HE2 LYS A 50 28.985 -1.770 -8.078 1.00 4.60 H new ATOM 0 HE3 LYS A 50 27.321 -1.340 -7.737 1.00 4.60 H new ATOM 0 HZ1 LYS A 50 26.942 -3.517 -7.431 1.00 5.94 H new ATOM 0 HZ2 LYS A 50 27.179 -3.759 -9.095 1.00 5.94 H new ATOM 0 HZ3 LYS A 50 28.478 -3.944 -8.016 1.00 5.94 H new ATOM 798 N GLY A 51 27.456 0.512 -14.881 1.00 0.94 N ATOM 799 CA GLY A 51 27.079 1.373 -16.017 1.00 1.09 C ATOM 800 C GLY A 51 26.094 0.656 -16.984 1.00 0.94 C ATOM 801 O GLY A 51 25.090 1.252 -17.311 1.00 1.17 O ATOM 0 H GLY A 51 28.166 -0.186 -15.103 1.00 0.94 H new ATOM 0 HA2 GLY A 51 26.619 2.288 -15.643 1.00 1.09 H new ATOM 0 HA3 GLY A 51 27.975 1.667 -16.563 1.00 1.09 H new ATOM 805 N LYS A 52 26.381 -0.555 -17.415 1.00 0.81 N ATOM 806 CA LYS A 52 25.478 -1.319 -18.362 1.00 0.68 C ATOM 807 C LYS A 52 24.456 -2.227 -17.673 1.00 0.47 C ATOM 808 O LYS A 52 23.294 -2.121 -17.990 1.00 0.36 O ATOM 809 CB LYS A 52 26.297 -2.209 -19.251 1.00 0.55 C ATOM 810 CG LYS A 52 27.425 -1.434 -19.918 1.00 1.15 C ATOM 811 CD LYS A 52 28.724 -2.074 -19.388 1.00 1.46 C ATOM 812 CE LYS A 52 28.906 -3.456 -19.976 1.00 1.86 C ATOM 813 NZ LYS A 52 29.266 -3.265 -21.410 1.00 1.18 N ATOM 0 H LYS A 52 27.224 -1.063 -17.146 1.00 0.81 H new ATOM 0 HA LYS A 52 24.940 -0.545 -18.910 1.00 0.68 H new ATOM 0 HB2 LYS A 52 26.712 -3.029 -18.665 1.00 0.55 H new ATOM 0 HB3 LYS A 52 25.657 -2.654 -20.013 1.00 0.55 H new ATOM 0 HG2 LYS A 52 27.365 -1.507 -21.004 1.00 1.15 H new ATOM 0 HG3 LYS A 52 27.377 -0.374 -19.667 1.00 1.15 H new ATOM 0 HD2 LYS A 52 29.578 -1.447 -19.645 1.00 1.46 H new ATOM 0 HD3 LYS A 52 28.690 -2.136 -18.300 1.00 1.46 H new ATOM 0 HE2 LYS A 52 29.689 -4.001 -19.449 1.00 1.86 H new ATOM 0 HE3 LYS A 52 27.991 -4.041 -19.881 1.00 1.86 H new ATOM 0 HZ1 LYS A 52 29.856 -4.060 -21.729 1.00 1.18 H new ATOM 0 HZ2 LYS A 52 28.399 -3.226 -21.983 1.00 1.18 H new ATOM 0 HZ3 LYS A 52 29.794 -2.376 -21.520 1.00 1.18 H new ATOM 827 N ALA A 53 24.933 -3.094 -16.801 1.00 0.44 N ATOM 828 CA ALA A 53 24.095 -4.055 -16.020 1.00 0.32 C ATOM 829 C ALA A 53 22.704 -3.499 -15.907 1.00 0.20 C ATOM 830 O ALA A 53 21.764 -4.028 -16.453 1.00 0.09 O ATOM 831 CB ALA A 53 24.794 -4.231 -14.672 1.00 0.39 C ATOM 0 H ALA A 53 25.929 -3.172 -16.594 1.00 0.44 H new ATOM 0 HA ALA A 53 23.995 -5.032 -16.493 1.00 0.32 H new ATOM 0 HB1 ALA A 53 24.225 -4.926 -14.055 1.00 0.39 H new ATOM 0 HB2 ALA A 53 25.798 -4.625 -14.831 1.00 0.39 H new ATOM 0 HB3 ALA A 53 24.859 -3.267 -14.167 1.00 0.39 H new ATOM 837 N LYS A 54 22.610 -2.423 -15.196 1.00 0.32 N ATOM 838 CA LYS A 54 21.292 -1.757 -15.021 1.00 0.21 C ATOM 839 C LYS A 54 20.508 -1.558 -16.341 1.00 0.14 C ATOM 840 O LYS A 54 19.357 -1.924 -16.496 1.00 0.09 O ATOM 841 CB LYS A 54 21.560 -0.458 -14.434 1.00 0.22 C ATOM 842 CG LYS A 54 22.824 0.182 -15.007 1.00 0.30 C ATOM 843 CD LYS A 54 23.250 1.076 -13.940 1.00 0.57 C ATOM 844 CE LYS A 54 23.867 2.317 -14.596 1.00 1.23 C ATOM 845 NZ LYS A 54 24.030 3.406 -13.599 1.00 1.26 N ATOM 0 H LYS A 54 23.391 -1.969 -14.723 1.00 0.32 H new ATOM 0 HA LYS A 54 20.667 -2.394 -14.395 1.00 0.21 H new ATOM 0 HB2 LYS A 54 20.709 0.201 -14.609 1.00 0.22 H new ATOM 0 HB3 LYS A 54 21.665 -0.563 -13.354 1.00 0.22 H new ATOM 0 HG2 LYS A 54 23.585 -0.563 -15.237 1.00 0.30 H new ATOM 0 HG3 LYS A 54 22.619 0.724 -15.930 1.00 0.30 H new ATOM 0 HD2 LYS A 54 22.403 1.355 -13.313 1.00 0.57 H new ATOM 0 HD3 LYS A 54 23.976 0.583 -13.294 1.00 0.57 H new ATOM 0 HE2 LYS A 54 24.835 2.064 -15.028 1.00 1.23 H new ATOM 0 HE3 LYS A 54 23.232 2.657 -15.414 1.00 1.23 H new ATOM 0 HZ1 LYS A 54 23.916 4.327 -14.069 1.00 1.26 H new ATOM 0 HZ2 LYS A 54 23.311 3.306 -12.855 1.00 1.26 H new ATOM 0 HZ3 LYS A 54 24.978 3.349 -13.175 1.00 1.26 H new ATOM 859 N TRP A 55 21.224 -0.970 -17.262 1.00 0.21 N ATOM 860 CA TRP A 55 20.698 -0.654 -18.613 1.00 0.24 C ATOM 861 C TRP A 55 20.106 -1.934 -19.190 1.00 0.20 C ATOM 862 O TRP A 55 18.926 -2.070 -19.415 1.00 0.21 O ATOM 863 CB TRP A 55 21.893 -0.133 -19.429 1.00 0.41 C ATOM 864 CG TRP A 55 21.384 0.838 -20.447 1.00 0.54 C ATOM 865 CD1 TRP A 55 21.160 2.124 -20.140 1.00 0.68 C ATOM 866 CD2 TRP A 55 21.083 0.603 -21.735 1.00 0.57 C ATOM 867 NE1 TRP A 55 20.731 2.605 -21.278 1.00 0.79 N ATOM 868 CE2 TRP A 55 20.650 1.775 -22.305 1.00 0.74 C ATOM 869 CE3 TRP A 55 21.150 -0.556 -22.480 1.00 0.48 C ATOM 870 CZ2 TRP A 55 20.287 1.793 -23.629 1.00 0.82 C ATOM 871 CZ3 TRP A 55 20.786 -0.542 -23.808 1.00 0.56 C ATOM 872 CH2 TRP A 55 20.355 0.639 -24.382 1.00 0.73 C ATOM 0 H TRP A 55 22.193 -0.686 -17.121 1.00 0.21 H new ATOM 0 HA TRP A 55 19.912 0.101 -18.614 1.00 0.24 H new ATOM 0 HB2 TRP A 55 22.618 0.350 -18.774 1.00 0.41 H new ATOM 0 HB3 TRP A 55 22.407 -0.960 -19.918 1.00 0.41 H new ATOM 0 HD1 TRP A 55 21.298 2.631 -19.197 1.00 0.68 H new ATOM 0 HE1 TRP A 55 20.468 3.586 -21.371 1.00 0.79 H new ATOM 0 HE3 TRP A 55 21.488 -1.474 -22.022 1.00 0.48 H new ATOM 0 HZ2 TRP A 55 19.947 2.713 -24.082 1.00 0.82 H new ATOM 0 HZ3 TRP A 55 20.837 -1.446 -24.396 1.00 0.56 H new ATOM 0 HH2 TRP A 55 20.070 0.659 -25.424 1.00 0.73 H new ATOM 883 N ASP A 56 21.022 -2.826 -19.369 1.00 0.25 N ATOM 884 CA ASP A 56 20.789 -4.176 -19.911 1.00 0.24 C ATOM 885 C ASP A 56 19.558 -4.800 -19.213 1.00 0.13 C ATOM 886 O ASP A 56 18.514 -5.005 -19.802 1.00 0.15 O ATOM 887 CB ASP A 56 22.182 -4.869 -19.649 1.00 0.32 C ATOM 888 CG ASP A 56 22.909 -5.173 -20.922 1.00 0.54 C ATOM 889 OD1 ASP A 56 22.341 -5.769 -21.813 1.00 0.97 O ATOM 890 OD2 ASP A 56 24.052 -4.780 -20.954 1.00 1.16 O ATOM 0 H ASP A 56 22.001 -2.654 -19.141 1.00 0.25 H new ATOM 0 HA ASP A 56 20.527 -4.255 -20.966 1.00 0.24 H new ATOM 0 HB2 ASP A 56 22.798 -4.220 -19.027 1.00 0.32 H new ATOM 0 HB3 ASP A 56 22.028 -5.793 -19.091 1.00 0.32 H new ATOM 895 N ALA A 57 19.748 -5.046 -17.950 1.00 0.18 N ATOM 896 CA ALA A 57 18.711 -5.645 -17.077 1.00 0.16 C ATOM 897 C ALA A 57 17.355 -4.907 -17.107 1.00 0.15 C ATOM 898 O ALA A 57 16.294 -5.489 -17.030 1.00 0.21 O ATOM 899 CB ALA A 57 19.345 -5.664 -15.705 1.00 0.27 C ATOM 0 H ALA A 57 20.624 -4.845 -17.468 1.00 0.18 H new ATOM 0 HA ALA A 57 18.435 -6.642 -17.420 1.00 0.16 H new ATOM 0 HB1 ALA A 57 18.646 -6.094 -14.987 1.00 0.27 H new ATOM 0 HB2 ALA A 57 20.253 -6.266 -15.732 1.00 0.27 H new ATOM 0 HB3 ALA A 57 19.593 -4.646 -15.405 1.00 0.27 H new ATOM 905 N TRP A 58 17.405 -3.613 -17.231 1.00 0.19 N ATOM 906 CA TRP A 58 16.147 -2.786 -17.268 1.00 0.20 C ATOM 907 C TRP A 58 15.501 -2.815 -18.665 1.00 0.18 C ATOM 908 O TRP A 58 14.325 -3.059 -18.845 1.00 0.19 O ATOM 909 CB TRP A 58 16.519 -1.347 -16.858 1.00 0.26 C ATOM 910 CG TRP A 58 15.330 -0.409 -17.090 1.00 0.28 C ATOM 911 CD1 TRP A 58 14.017 -0.793 -17.159 1.00 0.28 C ATOM 912 CD2 TRP A 58 15.429 0.924 -17.289 1.00 0.30 C ATOM 913 NE1 TRP A 58 13.424 0.362 -17.410 1.00 0.30 N ATOM 914 CE2 TRP A 58 14.178 1.425 -17.498 1.00 0.31 C ATOM 915 CE3 TRP A 58 16.494 1.797 -17.305 1.00 0.30 C ATOM 916 CZ2 TRP A 58 13.947 2.754 -17.720 1.00 0.29 C ATOM 917 CZ3 TRP A 58 16.279 3.145 -17.528 1.00 0.29 C ATOM 918 CH2 TRP A 58 15.018 3.626 -17.735 1.00 0.29 C ATOM 0 H TRP A 58 18.269 -3.077 -17.310 1.00 0.19 H new ATOM 0 HA TRP A 58 15.411 -3.195 -16.576 1.00 0.20 H new ATOM 0 HB2 TRP A 58 16.811 -1.324 -15.808 1.00 0.26 H new ATOM 0 HB3 TRP A 58 17.379 -1.007 -17.435 1.00 0.26 H new ATOM 0 HD1 TRP A 58 13.583 -1.775 -17.040 1.00 0.28 H new ATOM 0 HE1 TRP A 58 12.413 0.421 -17.531 1.00 0.30 H new ATOM 0 HE3 TRP A 58 17.497 1.429 -17.144 1.00 0.30 H new ATOM 0 HZ2 TRP A 58 12.942 3.116 -17.881 1.00 0.29 H new ATOM 0 HZ3 TRP A 58 17.118 3.825 -17.539 1.00 0.29 H new ATOM 0 HH2 TRP A 58 14.859 4.680 -17.909 1.00 0.29 H new ATOM 929 N ASN A 59 16.298 -2.561 -19.644 1.00 0.20 N ATOM 930 CA ASN A 59 15.901 -2.541 -21.068 1.00 0.24 C ATOM 931 C ASN A 59 15.035 -3.773 -21.409 1.00 0.25 C ATOM 932 O ASN A 59 14.258 -3.781 -22.344 1.00 0.29 O ATOM 933 CB ASN A 59 17.207 -2.527 -21.830 1.00 0.19 C ATOM 934 CG ASN A 59 16.935 -2.276 -23.284 1.00 0.30 C ATOM 935 OD1 ASN A 59 16.288 -1.350 -23.714 1.00 0.62 O ATOM 936 ND2 ASN A 59 17.438 -3.112 -24.106 1.00 0.20 N ATOM 0 H ASN A 59 17.286 -2.350 -19.503 1.00 0.20 H new ATOM 0 HA ASN A 59 15.286 -1.678 -21.324 1.00 0.24 H new ATOM 0 HB2 ASN A 59 17.864 -1.753 -21.433 1.00 0.19 H new ATOM 0 HB3 ASN A 59 17.724 -3.479 -21.705 1.00 0.19 H new ATOM 0 HD21 ASN A 59 17.291 -2.993 -25.108 1.00 0.20 H new ATOM 0 HD22 ASN A 59 17.987 -3.899 -23.761 1.00 0.20 H new ATOM 943 N GLU A 60 15.228 -4.770 -20.588 1.00 0.23 N ATOM 944 CA GLU A 60 14.510 -6.078 -20.735 1.00 0.23 C ATOM 945 C GLU A 60 13.051 -6.032 -20.255 1.00 0.18 C ATOM 946 O GLU A 60 12.156 -6.647 -20.795 1.00 0.18 O ATOM 947 CB GLU A 60 15.396 -7.094 -19.970 1.00 0.26 C ATOM 948 CG GLU A 60 14.737 -8.493 -19.880 1.00 0.34 C ATOM 949 CD GLU A 60 15.796 -9.578 -19.609 1.00 0.45 C ATOM 950 OE1 GLU A 60 16.464 -9.503 -18.591 1.00 0.96 O ATOM 951 OE2 GLU A 60 15.873 -10.435 -20.467 1.00 1.00 O ATOM 0 H GLU A 60 15.872 -4.734 -19.797 1.00 0.23 H new ATOM 0 HA GLU A 60 14.393 -6.363 -21.780 1.00 0.23 H new ATOM 0 HB2 GLU A 60 16.361 -7.180 -20.469 1.00 0.26 H new ATOM 0 HB3 GLU A 60 15.590 -6.720 -18.965 1.00 0.26 H new ATOM 0 HG2 GLU A 60 13.992 -8.499 -19.085 1.00 0.34 H new ATOM 0 HG3 GLU A 60 14.213 -8.714 -20.810 1.00 0.34 H new ATOM 958 N LEU A 61 12.882 -5.270 -19.225 1.00 0.15 N ATOM 959 CA LEU A 61 11.578 -5.026 -18.539 1.00 0.12 C ATOM 960 C LEU A 61 10.757 -3.930 -19.196 1.00 0.16 C ATOM 961 O LEU A 61 9.543 -3.991 -19.200 1.00 0.06 O ATOM 962 CB LEU A 61 11.809 -4.562 -17.133 1.00 0.12 C ATOM 963 CG LEU A 61 12.883 -5.322 -16.430 1.00 0.12 C ATOM 964 CD1 LEU A 61 12.992 -4.663 -15.095 1.00 0.15 C ATOM 965 CD2 LEU A 61 12.563 -6.782 -16.414 1.00 0.16 C ATOM 0 H LEU A 61 13.655 -4.764 -18.793 1.00 0.15 H new ATOM 0 HA LEU A 61 11.045 -5.976 -18.590 1.00 0.12 H new ATOM 0 HB2 LEU A 61 12.071 -3.504 -17.145 1.00 0.12 H new ATOM 0 HB3 LEU A 61 10.880 -4.654 -16.570 1.00 0.12 H new ATOM 0 HG LEU A 61 13.856 -5.293 -16.920 1.00 0.12 H new ATOM 0 HD11 LEU A 61 13.763 -5.160 -14.506 1.00 0.15 H new ATOM 0 HD12 LEU A 61 13.256 -3.614 -15.228 1.00 0.15 H new ATOM 0 HD13 LEU A 61 12.037 -4.734 -14.575 1.00 0.15 H new ATOM 0 HD21 LEU A 61 13.356 -7.323 -15.898 1.00 0.16 H new ATOM 0 HD22 LEU A 61 11.618 -6.942 -15.895 1.00 0.16 H new ATOM 0 HD23 LEU A 61 12.481 -7.148 -17.438 1.00 0.16 H new ATOM 977 N LYS A 62 11.523 -3.002 -19.700 1.00 0.34 N ATOM 978 CA LYS A 62 11.053 -1.772 -20.403 1.00 0.49 C ATOM 979 C LYS A 62 9.557 -1.689 -20.722 1.00 0.70 C ATOM 980 O LYS A 62 8.929 -0.702 -20.410 1.00 1.58 O ATOM 981 CB LYS A 62 11.958 -1.697 -21.659 1.00 0.44 C ATOM 982 CG LYS A 62 11.453 -0.597 -22.553 1.00 0.46 C ATOM 983 CD LYS A 62 12.375 -0.422 -23.772 1.00 0.75 C ATOM 984 CE LYS A 62 11.786 -1.182 -24.929 1.00 1.01 C ATOM 985 NZ LYS A 62 10.434 -0.584 -25.178 1.00 1.31 N ATOM 0 H LYS A 62 12.540 -3.056 -19.646 1.00 0.34 H new ATOM 0 HA LYS A 62 11.146 -0.907 -19.746 1.00 0.49 H new ATOM 0 HB2 LYS A 62 12.991 -1.504 -21.369 1.00 0.44 H new ATOM 0 HB3 LYS A 62 11.948 -2.649 -22.189 1.00 0.44 H new ATOM 0 HG2 LYS A 62 10.441 -0.828 -22.886 1.00 0.46 H new ATOM 0 HG3 LYS A 62 11.399 0.337 -21.994 1.00 0.46 H new ATOM 0 HD2 LYS A 62 12.474 0.634 -24.024 1.00 0.75 H new ATOM 0 HD3 LYS A 62 13.375 -0.791 -23.546 1.00 0.75 H new ATOM 0 HE2 LYS A 62 12.418 -1.097 -25.813 1.00 1.01 H new ATOM 0 HE3 LYS A 62 11.705 -2.244 -24.696 1.00 1.01 H new ATOM 0 HZ1 LYS A 62 9.699 -1.288 -24.965 1.00 1.31 H new ATOM 0 HZ2 LYS A 62 10.304 0.248 -24.567 1.00 1.31 H new ATOM 0 HZ3 LYS A 62 10.360 -0.296 -26.175 1.00 1.31 H new ATOM 999 N GLY A 63 9.026 -2.714 -21.303 1.00 0.38 N ATOM 1000 CA GLY A 63 7.553 -2.748 -21.663 1.00 0.31 C ATOM 1001 C GLY A 63 6.681 -3.456 -20.598 1.00 0.23 C ATOM 1002 O GLY A 63 5.691 -4.092 -20.898 1.00 0.29 O ATOM 0 H GLY A 63 9.542 -3.556 -21.557 1.00 0.38 H new ATOM 0 HA2 GLY A 63 7.195 -1.727 -21.797 1.00 0.31 H new ATOM 0 HA3 GLY A 63 7.431 -3.256 -22.619 1.00 0.31 H new ATOM 1006 N THR A 64 7.099 -3.297 -19.374 1.00 0.20 N ATOM 1007 CA THR A 64 6.399 -3.898 -18.176 1.00 0.17 C ATOM 1008 C THR A 64 5.476 -2.882 -17.512 1.00 0.10 C ATOM 1009 O THR A 64 5.356 -1.742 -17.928 1.00 0.20 O ATOM 1010 CB THR A 64 7.475 -4.367 -17.143 1.00 0.20 C ATOM 1011 OG1 THR A 64 7.940 -5.600 -17.641 1.00 0.35 O ATOM 1012 CG2 THR A 64 7.030 -4.718 -15.711 1.00 0.14 C ATOM 0 H THR A 64 7.929 -2.755 -19.134 1.00 0.20 H new ATOM 0 HA THR A 64 5.796 -4.742 -18.512 1.00 0.17 H new ATOM 0 HB THR A 64 8.157 -3.521 -17.054 1.00 0.20 H new ATOM 0 HG1 THR A 64 8.625 -5.440 -18.324 1.00 0.35 H new ATOM 0 HG21 THR A 64 7.897 -5.024 -15.125 1.00 0.14 H new ATOM 0 HG22 THR A 64 6.569 -3.845 -15.249 1.00 0.14 H new ATOM 0 HG23 THR A 64 6.308 -5.534 -15.744 1.00 0.14 H new ATOM 1020 N SER A 65 4.832 -3.369 -16.485 1.00 0.30 N ATOM 1021 CA SER A 65 3.895 -2.545 -15.681 1.00 0.30 C ATOM 1022 C SER A 65 4.639 -2.070 -14.413 1.00 0.31 C ATOM 1023 O SER A 65 5.295 -2.799 -13.684 1.00 0.46 O ATOM 1024 CB SER A 65 2.650 -3.340 -15.201 1.00 0.49 C ATOM 1025 OG SER A 65 3.107 -4.197 -14.150 1.00 1.58 O ATOM 0 H SER A 65 4.923 -4.333 -16.164 1.00 0.30 H new ATOM 0 HA SER A 65 3.559 -1.725 -16.316 1.00 0.30 H new ATOM 0 HB2 SER A 65 1.871 -2.666 -14.844 1.00 0.49 H new ATOM 0 HB3 SER A 65 2.219 -3.920 -16.017 1.00 0.49 H new ATOM 0 HG SER A 65 2.611 -5.042 -14.178 1.00 1.58 H new ATOM 1031 N LYS A 66 4.474 -0.800 -14.226 1.00 0.27 N ATOM 1032 CA LYS A 66 5.062 -0.041 -13.082 1.00 0.36 C ATOM 1033 C LYS A 66 5.085 -0.840 -11.758 1.00 0.27 C ATOM 1034 O LYS A 66 6.019 -0.887 -10.979 1.00 0.36 O ATOM 1035 CB LYS A 66 4.221 1.213 -12.933 1.00 0.52 C ATOM 1036 CG LYS A 66 4.262 2.110 -14.185 1.00 0.95 C ATOM 1037 CD LYS A 66 5.489 3.029 -14.151 1.00 0.55 C ATOM 1038 CE LYS A 66 5.460 3.866 -15.406 1.00 1.06 C ATOM 1039 NZ LYS A 66 6.543 4.885 -15.328 1.00 1.34 N ATOM 0 H LYS A 66 3.922 -0.217 -14.856 1.00 0.27 H new ATOM 0 HA LYS A 66 6.108 0.181 -13.293 1.00 0.36 H new ATOM 0 HB2 LYS A 66 3.189 0.931 -12.727 1.00 0.52 H new ATOM 0 HB3 LYS A 66 4.573 1.781 -12.072 1.00 0.52 H new ATOM 0 HG2 LYS A 66 4.289 1.491 -15.082 1.00 0.95 H new ATOM 0 HG3 LYS A 66 3.353 2.710 -14.239 1.00 0.95 H new ATOM 0 HD2 LYS A 66 5.469 3.664 -13.265 1.00 0.55 H new ATOM 0 HD3 LYS A 66 6.407 2.443 -14.102 1.00 0.55 H new ATOM 0 HE2 LYS A 66 5.598 3.235 -16.284 1.00 1.06 H new ATOM 0 HE3 LYS A 66 4.491 4.353 -15.513 1.00 1.06 H new ATOM 0 HZ1 LYS A 66 6.124 5.836 -15.307 1.00 1.34 H new ATOM 0 HZ2 LYS A 66 7.101 4.733 -14.463 1.00 1.34 H new ATOM 0 HZ3 LYS A 66 7.162 4.798 -16.159 1.00 1.34 H new ATOM 1053 N GLU A 67 3.973 -1.473 -11.580 1.00 0.19 N ATOM 1054 CA GLU A 67 3.697 -2.312 -10.386 1.00 0.29 C ATOM 1055 C GLU A 67 4.281 -3.717 -10.401 1.00 0.22 C ATOM 1056 O GLU A 67 4.826 -4.101 -9.390 1.00 0.28 O ATOM 1057 CB GLU A 67 2.206 -2.347 -10.234 1.00 0.49 C ATOM 1058 CG GLU A 67 1.743 -1.057 -9.381 1.00 0.88 C ATOM 1059 CD GLU A 67 1.623 0.266 -10.161 1.00 0.70 C ATOM 1060 OE1 GLU A 67 1.567 0.218 -11.376 1.00 1.09 O ATOM 1061 OE2 GLU A 67 1.592 1.274 -9.465 1.00 1.65 O ATOM 0 H GLU A 67 3.202 -1.443 -12.247 1.00 0.19 H new ATOM 0 HA GLU A 67 4.204 -1.856 -9.536 1.00 0.29 H new ATOM 0 HB2 GLU A 67 1.726 -2.345 -11.213 1.00 0.49 H new ATOM 0 HB3 GLU A 67 1.899 -3.263 -9.730 1.00 0.49 H new ATOM 0 HG2 GLU A 67 0.777 -1.276 -8.926 1.00 0.88 H new ATOM 0 HG3 GLU A 67 2.453 -0.912 -8.567 1.00 0.88 H new ATOM 1068 N ASP A 68 4.192 -4.501 -11.441 1.00 0.16 N ATOM 1069 CA ASP A 68 4.833 -5.847 -11.320 1.00 0.18 C ATOM 1070 C ASP A 68 6.299 -5.583 -10.965 1.00 0.15 C ATOM 1071 O ASP A 68 6.937 -6.240 -10.156 1.00 0.20 O ATOM 1072 CB ASP A 68 4.588 -6.497 -12.650 1.00 0.20 C ATOM 1073 CG ASP A 68 3.217 -7.137 -12.532 1.00 0.38 C ATOM 1074 OD1 ASP A 68 3.081 -7.956 -11.635 1.00 1.91 O ATOM 1075 OD2 ASP A 68 2.398 -6.754 -13.348 1.00 1.09 O ATOM 0 H ASP A 68 3.730 -4.288 -12.325 1.00 0.16 H new ATOM 0 HA ASP A 68 4.450 -6.516 -10.550 1.00 0.18 H new ATOM 0 HB2 ASP A 68 4.613 -5.765 -13.457 1.00 0.20 H new ATOM 0 HB3 ASP A 68 5.353 -7.242 -12.872 1.00 0.20 H new ATOM 1080 N ALA A 69 6.765 -4.557 -11.620 1.00 0.07 N ATOM 1081 CA ALA A 69 8.159 -4.100 -11.412 1.00 0.11 C ATOM 1082 C ALA A 69 8.183 -3.809 -9.897 1.00 0.18 C ATOM 1083 O ALA A 69 9.086 -4.260 -9.238 1.00 0.28 O ATOM 1084 CB ALA A 69 8.364 -2.860 -12.234 1.00 0.14 C ATOM 0 H ALA A 69 6.231 -4.012 -12.297 1.00 0.07 H new ATOM 0 HA ALA A 69 8.942 -4.800 -11.704 1.00 0.11 H new ATOM 0 HB1 ALA A 69 9.384 -2.500 -12.101 1.00 0.14 H new ATOM 0 HB2 ALA A 69 8.195 -3.089 -13.286 1.00 0.14 H new ATOM 0 HB3 ALA A 69 7.662 -2.090 -11.913 1.00 0.14 H new ATOM 1090 N MET A 70 7.233 -3.087 -9.355 1.00 0.15 N ATOM 1091 CA MET A 70 7.245 -2.818 -7.886 1.00 0.16 C ATOM 1092 C MET A 70 7.351 -4.099 -7.093 1.00 0.17 C ATOM 1093 O MET A 70 8.277 -4.246 -6.334 1.00 0.25 O ATOM 1094 CB MET A 70 5.952 -2.139 -7.367 1.00 0.12 C ATOM 1095 CG MET A 70 5.859 -0.715 -7.787 1.00 0.17 C ATOM 1096 SD MET A 70 4.485 0.223 -7.090 1.00 0.22 S ATOM 1097 CE MET A 70 4.876 1.679 -8.080 1.00 0.07 C ATOM 0 H MET A 70 6.453 -2.674 -9.866 1.00 0.15 H new ATOM 0 HA MET A 70 8.104 -2.161 -7.748 1.00 0.16 H new ATOM 0 HB2 MET A 70 5.084 -2.683 -7.738 1.00 0.12 H new ATOM 0 HB3 MET A 70 5.924 -2.198 -6.279 1.00 0.12 H new ATOM 0 HG2 MET A 70 6.789 -0.215 -7.517 1.00 0.17 H new ATOM 0 HG3 MET A 70 5.783 -0.681 -8.874 1.00 0.17 H new ATOM 0 HE1 MET A 70 5.244 2.473 -7.430 1.00 0.07 H new ATOM 0 HE2 MET A 70 5.642 1.426 -8.813 1.00 0.07 H new ATOM 0 HE3 MET A 70 3.978 2.020 -8.596 1.00 0.07 H new ATOM 1107 N LYS A 71 6.395 -4.951 -7.310 1.00 0.14 N ATOM 1108 CA LYS A 71 6.315 -6.261 -6.631 1.00 0.20 C ATOM 1109 C LYS A 71 7.695 -6.844 -6.434 1.00 0.31 C ATOM 1110 O LYS A 71 8.133 -7.016 -5.320 1.00 0.52 O ATOM 1111 CB LYS A 71 5.400 -7.133 -7.506 1.00 0.16 C ATOM 1112 CG LYS A 71 3.963 -6.561 -7.452 1.00 0.87 C ATOM 1113 CD LYS A 71 3.427 -6.497 -5.981 1.00 2.25 C ATOM 1114 CE LYS A 71 3.726 -7.777 -5.185 1.00 2.27 C ATOM 1115 NZ LYS A 71 3.248 -8.914 -6.028 1.00 1.96 N ATOM 0 H LYS A 71 5.631 -4.779 -7.963 1.00 0.14 H new ATOM 0 HA LYS A 71 5.899 -6.187 -5.626 1.00 0.20 H new ATOM 0 HB2 LYS A 71 5.762 -7.146 -8.534 1.00 0.16 H new ATOM 0 HB3 LYS A 71 5.409 -8.164 -7.151 1.00 0.16 H new ATOM 0 HG2 LYS A 71 3.951 -5.562 -7.889 1.00 0.87 H new ATOM 0 HG3 LYS A 71 3.300 -7.181 -8.056 1.00 0.87 H new ATOM 0 HD2 LYS A 71 3.876 -5.644 -5.472 1.00 2.25 H new ATOM 0 HD3 LYS A 71 2.350 -6.328 -5.998 1.00 2.25 H new ATOM 0 HE2 LYS A 71 4.793 -7.867 -4.979 1.00 2.27 H new ATOM 0 HE3 LYS A 71 3.215 -7.765 -4.222 1.00 2.27 H new ATOM 0 HZ1 LYS A 71 2.747 -9.602 -5.431 1.00 1.96 H new ATOM 0 HZ2 LYS A 71 2.602 -8.556 -6.760 1.00 1.96 H new ATOM 0 HZ3 LYS A 71 4.062 -9.376 -6.481 1.00 1.96 H new ATOM 1129 N ALA A 72 8.355 -7.096 -7.521 1.00 0.27 N ATOM 1130 CA ALA A 72 9.724 -7.674 -7.404 1.00 0.34 C ATOM 1131 C ALA A 72 10.738 -6.607 -6.900 1.00 0.28 C ATOM 1132 O ALA A 72 11.594 -6.943 -6.099 1.00 0.36 O ATOM 1133 CB ALA A 72 9.968 -8.233 -8.811 1.00 0.40 C ATOM 0 H ALA A 72 8.020 -6.933 -8.470 1.00 0.27 H new ATOM 0 HA ALA A 72 9.843 -8.460 -6.659 1.00 0.34 H new ATOM 0 HB1 ALA A 72 10.956 -8.691 -8.854 1.00 0.40 H new ATOM 0 HB2 ALA A 72 9.210 -8.982 -9.041 1.00 0.40 H new ATOM 0 HB3 ALA A 72 9.911 -7.424 -9.539 1.00 0.40 H new ATOM 1139 N TYR A 73 10.649 -5.372 -7.336 1.00 0.20 N ATOM 1140 CA TYR A 73 11.621 -4.341 -6.842 1.00 0.16 C ATOM 1141 C TYR A 73 11.636 -4.379 -5.325 1.00 0.10 C ATOM 1142 O TYR A 73 12.624 -4.692 -4.691 1.00 0.10 O ATOM 1143 CB TYR A 73 11.186 -2.983 -7.268 1.00 0.18 C ATOM 1144 CG TYR A 73 12.097 -1.932 -6.630 1.00 0.20 C ATOM 1145 CD1 TYR A 73 13.362 -1.767 -7.142 1.00 0.78 C ATOM 1146 CD2 TYR A 73 11.660 -1.121 -5.592 1.00 0.73 C ATOM 1147 CE1 TYR A 73 14.188 -0.794 -6.637 1.00 0.80 C ATOM 1148 CE2 TYR A 73 12.502 -0.143 -5.103 1.00 0.75 C ATOM 1149 CZ TYR A 73 13.758 0.012 -5.633 1.00 0.34 C ATOM 1150 OH TYR A 73 14.619 0.990 -5.215 1.00 0.46 O ATOM 0 H TYR A 73 9.955 -5.035 -8.004 1.00 0.20 H new ATOM 0 HA TYR A 73 12.609 -4.554 -7.250 1.00 0.16 H new ATOM 0 HB2 TYR A 73 11.224 -2.901 -8.354 1.00 0.18 H new ATOM 0 HB3 TYR A 73 10.151 -2.811 -6.971 1.00 0.18 H new ATOM 0 HD1 TYR A 73 13.707 -2.404 -7.943 1.00 0.78 H new ATOM 0 HD2 TYR A 73 10.674 -1.254 -5.172 1.00 0.73 H new ATOM 0 HE1 TYR A 73 15.182 -0.669 -7.039 1.00 0.80 H new ATOM 0 HE2 TYR A 73 12.172 0.501 -4.302 1.00 0.75 H new ATOM 0 HH TYR A 73 15.287 1.158 -5.912 1.00 0.46 H new ATOM 1160 N ILE A 74 10.478 -4.044 -4.827 1.00 0.19 N ATOM 1161 CA ILE A 74 10.210 -3.991 -3.375 1.00 0.21 C ATOM 1162 C ILE A 74 10.808 -5.248 -2.759 1.00 0.21 C ATOM 1163 O ILE A 74 11.765 -5.172 -2.023 1.00 0.19 O ATOM 1164 CB ILE A 74 8.704 -3.959 -3.142 1.00 0.24 C ATOM 1165 CG1 ILE A 74 8.025 -2.689 -3.630 1.00 0.26 C ATOM 1166 CG2 ILE A 74 8.610 -3.915 -1.632 1.00 0.25 C ATOM 1167 CD1 ILE A 74 6.479 -2.905 -3.726 1.00 0.30 C ATOM 0 H ILE A 74 9.674 -3.794 -5.402 1.00 0.19 H new ATOM 0 HA ILE A 74 10.648 -3.100 -2.925 1.00 0.21 H new ATOM 0 HB ILE A 74 8.230 -4.793 -3.660 1.00 0.24 H new ATOM 0 HG12 ILE A 74 8.243 -1.867 -2.949 1.00 0.26 H new ATOM 0 HG13 ILE A 74 8.421 -2.408 -4.606 1.00 0.26 H new ATOM 0 HG21 ILE A 74 7.562 -3.889 -1.333 1.00 0.25 H new ATOM 0 HG22 ILE A 74 9.085 -4.802 -1.212 1.00 0.25 H new ATOM 0 HG23 ILE A 74 9.115 -3.023 -1.262 1.00 0.25 H new ATOM 0 HD11 ILE A 74 6.005 -1.988 -4.076 1.00 0.30 H new ATOM 0 HD12 ILE A 74 6.267 -3.714 -4.426 1.00 0.30 H new ATOM 0 HD13 ILE A 74 6.086 -3.164 -2.743 1.00 0.30 H new ATOM 1179 N ASP A 75 10.227 -6.369 -3.070 1.00 0.26 N ATOM 1180 CA ASP A 75 10.705 -7.665 -2.551 1.00 0.32 C ATOM 1181 C ASP A 75 12.232 -7.815 -2.540 1.00 0.27 C ATOM 1182 O ASP A 75 12.848 -8.197 -1.560 1.00 0.35 O ATOM 1183 CB ASP A 75 9.948 -8.659 -3.456 1.00 0.43 C ATOM 1184 CG ASP A 75 8.443 -8.733 -3.218 1.00 0.92 C ATOM 1185 OD1 ASP A 75 7.932 -7.856 -2.549 1.00 1.82 O ATOM 1186 OD2 ASP A 75 7.878 -9.675 -3.749 1.00 1.43 O ATOM 0 H ASP A 75 9.414 -6.436 -3.683 1.00 0.26 H new ATOM 0 HA ASP A 75 10.500 -7.820 -1.492 1.00 0.32 H new ATOM 0 HB2 ASP A 75 10.123 -8.385 -4.496 1.00 0.43 H new ATOM 0 HB3 ASP A 75 10.372 -9.653 -3.313 1.00 0.43 H new ATOM 1191 N LYS A 76 12.831 -7.479 -3.643 1.00 0.20 N ATOM 1192 CA LYS A 76 14.326 -7.615 -3.693 1.00 0.24 C ATOM 1193 C LYS A 76 14.991 -6.643 -2.737 1.00 0.28 C ATOM 1194 O LYS A 76 15.903 -6.982 -1.998 1.00 0.45 O ATOM 1195 CB LYS A 76 14.795 -7.360 -5.098 1.00 0.22 C ATOM 1196 CG LYS A 76 16.270 -7.859 -5.187 1.00 0.43 C ATOM 1197 CD LYS A 76 16.263 -9.415 -5.238 1.00 0.54 C ATOM 1198 CE LYS A 76 17.671 -9.988 -5.222 1.00 0.96 C ATOM 1199 NZ LYS A 76 18.221 -9.774 -3.846 1.00 1.98 N ATOM 0 H LYS A 76 12.380 -7.128 -4.488 1.00 0.20 H new ATOM 0 HA LYS A 76 14.601 -8.625 -3.389 1.00 0.24 H new ATOM 0 HB2 LYS A 76 14.166 -7.887 -5.816 1.00 0.22 H new ATOM 0 HB3 LYS A 76 14.732 -6.299 -5.338 1.00 0.22 H new ATOM 0 HG2 LYS A 76 16.754 -7.453 -6.075 1.00 0.43 H new ATOM 0 HG3 LYS A 76 16.840 -7.511 -4.326 1.00 0.43 H new ATOM 0 HD2 LYS A 76 15.703 -9.804 -4.388 1.00 0.54 H new ATOM 0 HD3 LYS A 76 15.746 -9.747 -6.139 1.00 0.54 H new ATOM 0 HE2 LYS A 76 17.657 -11.049 -5.470 1.00 0.96 H new ATOM 0 HE3 LYS A 76 18.295 -9.495 -5.967 1.00 0.96 H new ATOM 0 HZ1 LYS A 76 19.260 -9.797 -3.880 1.00 1.98 H new ATOM 0 HZ2 LYS A 76 17.907 -8.850 -3.487 1.00 1.98 H new ATOM 0 HZ3 LYS A 76 17.878 -10.526 -3.214 1.00 1.98 H new ATOM 1213 N VAL A 77 14.513 -5.435 -2.815 1.00 0.19 N ATOM 1214 CA VAL A 77 15.045 -4.363 -1.939 1.00 0.18 C ATOM 1215 C VAL A 77 14.960 -4.924 -0.540 1.00 0.12 C ATOM 1216 O VAL A 77 15.946 -4.865 0.178 1.00 0.10 O ATOM 1217 CB VAL A 77 14.180 -3.096 -2.056 1.00 0.24 C ATOM 1218 CG1 VAL A 77 14.588 -2.138 -0.913 1.00 0.24 C ATOM 1219 CG2 VAL A 77 14.382 -2.413 -3.427 1.00 0.27 C ATOM 0 H VAL A 77 13.772 -5.144 -3.453 1.00 0.19 H new ATOM 0 HA VAL A 77 16.062 -4.081 -2.210 1.00 0.18 H new ATOM 0 HB VAL A 77 13.125 -3.359 -1.976 1.00 0.24 H new ATOM 0 HG11 VAL A 77 13.990 -1.228 -0.970 1.00 0.24 H new ATOM 0 HG12 VAL A 77 14.418 -2.624 0.048 1.00 0.24 H new ATOM 0 HG13 VAL A 77 15.644 -1.885 -1.010 1.00 0.24 H new ATOM 0 HG21 VAL A 77 13.759 -1.520 -3.484 1.00 0.27 H new ATOM 0 HG22 VAL A 77 15.429 -2.133 -3.543 1.00 0.27 H new ATOM 0 HG23 VAL A 77 14.100 -3.103 -4.222 1.00 0.27 H new ATOM 1229 N GLU A 78 13.803 -5.446 -0.189 1.00 0.11 N ATOM 1230 CA GLU A 78 13.639 -6.020 1.168 1.00 0.13 C ATOM 1231 C GLU A 78 14.914 -6.831 1.505 1.00 0.19 C ATOM 1232 O GLU A 78 15.519 -6.591 2.534 1.00 0.33 O ATOM 1233 CB GLU A 78 12.306 -6.819 1.103 1.00 0.14 C ATOM 1234 CG GLU A 78 11.337 -6.203 2.177 1.00 0.13 C ATOM 1235 CD GLU A 78 11.059 -4.703 1.921 1.00 1.66 C ATOM 1236 OE1 GLU A 78 10.395 -4.390 0.950 1.00 3.01 O ATOM 1237 OE2 GLU A 78 11.507 -3.874 2.703 1.00 1.90 O ATOM 0 H GLU A 78 12.978 -5.494 -0.786 1.00 0.11 H new ATOM 0 HA GLU A 78 13.554 -5.302 1.984 1.00 0.13 H new ATOM 0 HB2 GLU A 78 11.867 -6.753 0.107 1.00 0.14 H new ATOM 0 HB3 GLU A 78 12.481 -7.876 1.305 1.00 0.14 H new ATOM 0 HG2 GLU A 78 10.395 -6.752 2.171 1.00 0.13 H new ATOM 0 HG3 GLU A 78 11.771 -6.326 3.169 1.00 0.13 H new ATOM 1244 N GLU A 79 15.295 -7.759 0.655 1.00 0.21 N ATOM 1245 CA GLU A 79 16.538 -8.560 0.926 1.00 0.36 C ATOM 1246 C GLU A 79 17.787 -7.685 1.190 1.00 0.28 C ATOM 1247 O GLU A 79 18.422 -7.755 2.233 1.00 0.39 O ATOM 1248 CB GLU A 79 16.907 -9.430 -0.260 1.00 0.51 C ATOM 1249 CG GLU A 79 16.039 -10.663 -0.421 1.00 0.60 C ATOM 1250 CD GLU A 79 16.701 -11.618 -1.411 1.00 0.48 C ATOM 1251 OE1 GLU A 79 16.656 -11.363 -2.601 1.00 1.16 O ATOM 1252 OE2 GLU A 79 17.242 -12.562 -0.874 1.00 1.56 O ATOM 0 H GLU A 79 14.805 -7.996 -0.208 1.00 0.21 H new ATOM 0 HA GLU A 79 16.288 -9.146 1.811 1.00 0.36 H new ATOM 0 HB2 GLU A 79 16.841 -8.832 -1.169 1.00 0.51 H new ATOM 0 HB3 GLU A 79 17.946 -9.742 -0.158 1.00 0.51 H new ATOM 0 HG2 GLU A 79 15.904 -11.155 0.542 1.00 0.60 H new ATOM 0 HG3 GLU A 79 15.048 -10.381 -0.777 1.00 0.60 H new ATOM 1259 N LEU A 80 18.106 -6.877 0.199 1.00 0.13 N ATOM 1260 CA LEU A 80 19.306 -5.977 0.311 1.00 0.15 C ATOM 1261 C LEU A 80 19.505 -5.436 1.693 1.00 0.27 C ATOM 1262 O LEU A 80 20.573 -5.529 2.257 1.00 0.38 O ATOM 1263 CB LEU A 80 19.144 -4.839 -0.674 1.00 0.13 C ATOM 1264 CG LEU A 80 19.507 -5.331 -2.055 1.00 0.14 C ATOM 1265 CD1 LEU A 80 19.416 -4.160 -2.989 1.00 0.30 C ATOM 1266 CD2 LEU A 80 20.957 -5.845 -1.984 1.00 0.29 C ATOM 0 H LEU A 80 17.590 -6.802 -0.678 1.00 0.13 H new ATOM 0 HA LEU A 80 20.193 -6.568 0.084 1.00 0.15 H new ATOM 0 HB2 LEU A 80 18.117 -4.474 -0.662 1.00 0.13 H new ATOM 0 HB3 LEU A 80 19.783 -4.003 -0.392 1.00 0.13 H new ATOM 0 HG LEU A 80 18.848 -6.126 -2.403 1.00 0.14 H new ATOM 0 HD11 LEU A 80 19.672 -4.479 -3.999 1.00 0.30 H new ATOM 0 HD12 LEU A 80 18.400 -3.766 -2.980 1.00 0.30 H new ATOM 0 HD13 LEU A 80 20.109 -3.383 -2.667 1.00 0.30 H new ATOM 0 HD21 LEU A 80 21.262 -6.211 -2.964 1.00 0.29 H new ATOM 0 HD22 LEU A 80 21.617 -5.032 -1.679 1.00 0.29 H new ATOM 0 HD23 LEU A 80 21.021 -6.655 -1.258 1.00 0.29 H new ATOM 1278 N LYS A 81 18.434 -4.876 2.146 1.00 0.28 N ATOM 1279 CA LYS A 81 18.357 -4.268 3.508 1.00 0.38 C ATOM 1280 C LYS A 81 19.254 -4.938 4.563 1.00 0.62 C ATOM 1281 O LYS A 81 19.958 -4.289 5.299 1.00 0.80 O ATOM 1282 CB LYS A 81 16.923 -4.370 3.891 1.00 0.44 C ATOM 1283 CG LYS A 81 16.612 -3.726 5.237 1.00 0.51 C ATOM 1284 CD LYS A 81 15.091 -3.719 5.492 1.00 0.31 C ATOM 1285 CE LYS A 81 14.389 -2.790 4.510 1.00 1.52 C ATOM 1286 NZ LYS A 81 12.959 -2.720 4.914 1.00 1.74 N ATOM 0 H LYS A 81 17.567 -4.807 1.613 1.00 0.28 H new ATOM 0 HA LYS A 81 18.727 -3.243 3.473 1.00 0.38 H new ATOM 0 HB2 LYS A 81 16.314 -3.898 3.120 1.00 0.44 H new ATOM 0 HB3 LYS A 81 16.637 -5.421 3.924 1.00 0.44 H new ATOM 0 HG2 LYS A 81 17.118 -4.271 6.034 1.00 0.51 H new ATOM 0 HG3 LYS A 81 16.995 -2.706 5.256 1.00 0.51 H new ATOM 0 HD2 LYS A 81 14.695 -4.730 5.392 1.00 0.31 H new ATOM 0 HD3 LYS A 81 14.889 -3.397 6.514 1.00 0.31 H new ATOM 0 HE2 LYS A 81 14.842 -1.799 4.527 1.00 1.52 H new ATOM 0 HE3 LYS A 81 14.483 -3.166 3.491 1.00 1.52 H new ATOM 0 HZ1 LYS A 81 12.425 -2.175 4.207 1.00 1.74 H new ATOM 0 HZ2 LYS A 81 12.569 -3.682 4.977 1.00 1.74 H new ATOM 0 HZ3 LYS A 81 12.882 -2.254 5.841 1.00 1.74 H new ATOM 1300 N LYS A 82 19.201 -6.237 4.591 1.00 0.70 N ATOM 1301 CA LYS A 82 19.993 -7.009 5.565 1.00 1.02 C ATOM 1302 C LYS A 82 21.349 -7.396 5.044 1.00 0.88 C ATOM 1303 O LYS A 82 22.339 -7.291 5.734 1.00 1.06 O ATOM 1304 CB LYS A 82 19.181 -8.228 5.920 1.00 1.30 C ATOM 1305 CG LYS A 82 17.794 -7.755 6.449 1.00 1.45 C ATOM 1306 CD LYS A 82 17.114 -8.885 7.258 1.00 2.22 C ATOM 1307 CE LYS A 82 17.791 -9.126 8.628 1.00 4.26 C ATOM 1308 NZ LYS A 82 17.589 -7.908 9.484 1.00 5.85 N ATOM 0 H LYS A 82 18.628 -6.802 3.964 1.00 0.70 H new ATOM 0 HA LYS A 82 20.191 -6.393 6.442 1.00 1.02 H new ATOM 0 HB2 LYS A 82 19.056 -8.868 5.047 1.00 1.30 H new ATOM 0 HB3 LYS A 82 19.695 -8.819 6.678 1.00 1.30 H new ATOM 0 HG2 LYS A 82 17.918 -6.873 7.077 1.00 1.45 H new ATOM 0 HG3 LYS A 82 17.158 -7.464 5.613 1.00 1.45 H new ATOM 0 HD2 LYS A 82 16.065 -8.634 7.414 1.00 2.22 H new ATOM 0 HD3 LYS A 82 17.138 -9.807 6.678 1.00 2.22 H new ATOM 0 HE2 LYS A 82 17.363 -10.004 9.112 1.00 4.26 H new ATOM 0 HE3 LYS A 82 18.855 -9.322 8.495 1.00 4.26 H new ATOM 0 HZ1 LYS A 82 17.757 -8.152 10.481 1.00 5.85 H new ATOM 0 HZ2 LYS A 82 18.255 -7.165 9.193 1.00 5.85 H new ATOM 0 HZ3 LYS A 82 16.614 -7.563 9.372 1.00 5.85 H new ATOM 1322 N LYS A 83 21.299 -7.847 3.822 1.00 0.59 N ATOM 1323 CA LYS A 83 22.519 -8.286 3.080 1.00 0.45 C ATOM 1324 C LYS A 83 23.592 -7.250 3.371 1.00 0.54 C ATOM 1325 O LYS A 83 24.691 -7.565 3.785 1.00 0.62 O ATOM 1326 CB LYS A 83 22.205 -8.322 1.595 1.00 0.27 C ATOM 1327 CG LYS A 83 21.355 -9.561 1.274 1.00 0.26 C ATOM 1328 CD LYS A 83 20.689 -9.345 -0.100 1.00 0.15 C ATOM 1329 CE LYS A 83 20.126 -10.657 -0.705 1.00 0.10 C ATOM 1330 NZ LYS A 83 19.385 -11.483 0.304 1.00 1.71 N ATOM 0 H LYS A 83 20.434 -7.933 3.288 1.00 0.59 H new ATOM 0 HA LYS A 83 22.850 -9.279 3.383 1.00 0.45 H new ATOM 0 HB2 LYS A 83 21.670 -7.418 1.305 1.00 0.27 H new ATOM 0 HB3 LYS A 83 23.130 -8.345 1.019 1.00 0.27 H new ATOM 0 HG2 LYS A 83 21.978 -10.456 1.258 1.00 0.26 H new ATOM 0 HG3 LYS A 83 20.598 -9.713 2.044 1.00 0.26 H new ATOM 0 HD2 LYS A 83 19.881 -8.621 0.002 1.00 0.15 H new ATOM 0 HD3 LYS A 83 21.417 -8.915 -0.788 1.00 0.15 H new ATOM 0 HE2 LYS A 83 19.459 -10.415 -1.532 1.00 0.10 H new ATOM 0 HE3 LYS A 83 20.946 -11.244 -1.118 1.00 0.10 H new ATOM 0 HZ1 LYS A 83 18.706 -12.101 -0.185 1.00 1.71 H new ATOM 0 HZ2 LYS A 83 20.060 -12.065 0.840 1.00 1.71 H new ATOM 0 HZ3 LYS A 83 18.874 -10.856 0.958 1.00 1.71 H new ATOM 1344 N TYR A 84 23.188 -6.029 3.135 1.00 0.52 N ATOM 1345 CA TYR A 84 24.156 -4.931 3.394 1.00 0.63 C ATOM 1346 C TYR A 84 23.831 -4.322 4.772 1.00 0.71 C ATOM 1347 O TYR A 84 24.820 -4.135 5.455 1.00 0.82 O ATOM 1348 CB TYR A 84 24.090 -3.943 2.148 1.00 0.54 C ATOM 1349 CG TYR A 84 24.379 -4.914 0.988 1.00 0.51 C ATOM 1350 CD1 TYR A 84 25.696 -5.200 0.689 1.00 1.14 C ATOM 1351 CD2 TYR A 84 23.373 -5.567 0.271 1.00 0.80 C ATOM 1352 CE1 TYR A 84 25.998 -6.120 -0.295 1.00 1.09 C ATOM 1353 CE2 TYR A 84 23.695 -6.481 -0.697 1.00 0.88 C ATOM 1354 CZ TYR A 84 25.007 -6.759 -0.987 1.00 0.57 C ATOM 1355 OH TYR A 84 25.347 -7.652 -1.979 1.00 0.63 O ATOM 0 H TYR A 84 22.269 -5.754 2.789 1.00 0.52 H new ATOM 0 HA TYR A 84 25.196 -5.250 3.467 1.00 0.63 H new ATOM 0 HB2 TYR A 84 23.115 -3.464 2.052 1.00 0.54 H new ATOM 0 HB3 TYR A 84 24.831 -3.146 2.214 1.00 0.54 H new ATOM 0 HD1 TYR A 84 26.491 -4.703 1.225 1.00 1.14 H new ATOM 0 HD2 TYR A 84 22.336 -5.350 0.481 1.00 0.80 H new ATOM 0 HE1 TYR A 84 27.031 -6.338 -0.521 1.00 1.09 H new ATOM 0 HE2 TYR A 84 22.909 -6.988 -1.237 1.00 0.88 H new ATOM 0 HH TYR A 84 24.539 -8.096 -2.310 1.00 0.63 H new ATOM 1365 N GLY A 85 22.616 -4.006 5.212 1.00 0.70 N ATOM 1366 CA GLY A 85 22.565 -3.443 6.631 1.00 0.83 C ATOM 1367 C GLY A 85 21.921 -2.119 6.966 1.00 0.70 C ATOM 1368 O GLY A 85 22.568 -1.204 7.444 1.00 0.74 O ATOM 0 H GLY A 85 21.733 -4.099 4.710 1.00 0.70 H new ATOM 0 HA2 GLY A 85 22.067 -4.194 7.244 1.00 0.83 H new ATOM 0 HA3 GLY A 85 23.597 -3.382 6.977 1.00 0.83 H new ATOM 1372 N ILE A 86 20.656 -2.080 6.694 1.00 0.60 N ATOM 1373 CA ILE A 86 19.787 -0.933 6.928 1.00 0.47 C ATOM 1374 C ILE A 86 18.537 -1.430 7.714 1.00 0.55 C ATOM 1375 O ILE A 86 18.050 -0.648 8.515 1.00 0.92 O ATOM 1376 CB ILE A 86 19.525 -0.354 5.499 1.00 0.52 C ATOM 1377 CG1 ILE A 86 18.046 -0.339 5.085 1.00 0.71 C ATOM 1378 CG2 ILE A 86 20.368 -0.952 4.361 1.00 1.07 C ATOM 1379 CD1 ILE A 86 17.566 1.099 4.830 1.00 0.61 C ATOM 1380 OXT ILE A 86 18.122 -2.556 7.474 1.00 1.92 O ATOM 0 H ILE A 86 20.163 -2.873 6.284 1.00 0.60 H new ATOM 0 HA ILE A 86 20.193 -0.133 7.547 1.00 0.47 H new ATOM 0 HB ILE A 86 19.864 0.674 5.631 1.00 0.52 H new ATOM 0 HG12 ILE A 86 17.909 -0.938 4.185 1.00 0.71 H new ATOM 0 HG13 ILE A 86 17.440 -0.796 5.867 1.00 0.71 H new ATOM 0 HG21 ILE A 86 20.099 -0.474 3.419 1.00 1.07 H new ATOM 0 HG22 ILE A 86 21.426 -0.784 4.565 1.00 1.07 H new ATOM 0 HG23 ILE A 86 20.178 -2.023 4.291 1.00 1.07 H new ATOM 0 HD11 ILE A 86 16.516 1.086 4.538 1.00 0.61 H new ATOM 0 HD12 ILE A 86 17.682 1.688 5.740 1.00 0.61 H new ATOM 0 HD13 ILE A 86 18.159 1.544 4.031 1.00 0.61 H new TER 1392 ILE A 86 HETATM 1393 N1A COA A 87 16.643 2.158 -7.167 1.00 0.66 N HETATM 1394 C2A COA A 87 17.294 1.941 -8.290 1.00 0.65 C HETATM 1395 N3A COA A 87 17.993 2.785 -9.037 1.00 0.61 N HETATM 1396 C4A COA A 87 17.990 4.023 -8.494 1.00 0.53 C HETATM 1397 C5A COA A 87 17.367 4.399 -7.336 1.00 0.52 C HETATM 1398 C6A COA A 87 16.660 3.386 -6.662 1.00 0.59 C HETATM 1399 N6A COA A 87 15.986 3.529 -5.536 1.00 0.69 N HETATM 1400 N7A COA A 87 17.608 5.743 -7.066 1.00 0.54 N HETATM 1401 C8A COA A 87 18.369 6.124 -8.069 1.00 0.54 C HETATM 1402 N9A COA A 87 18.639 5.132 -8.980 1.00 0.54 N HETATM 1403 C1B COA A 87 19.452 5.181 -10.232 1.00 0.64 C HETATM 1404 C2B COA A 87 19.440 6.505 -11.025 1.00 0.79 C HETATM 1405 O2B COA A 87 18.740 6.352 -12.280 1.00 0.64 O HETATM 1406 C3B COA A 87 20.920 6.773 -11.326 1.00 1.10 C HETATM 1407 O3B COA A 87 21.315 6.330 -12.695 1.00 1.36 O HETATM 1408 P3B COA A 87 21.287 4.927 -13.536 1.00 0.48 P HETATM 1409 O7A COA A 87 21.740 3.900 -12.569 1.00 2.12 O HETATM 1410 O8A COA A 87 22.265 5.092 -14.636 1.00 1.14 O HETATM 1411 O9A COA A 87 19.866 4.803 -13.973 1.00 1.52 O HETATM 1412 C4B COA A 87 21.666 5.957 -10.261 1.00 1.10 C HETATM 1413 O4B COA A 87 20.768 4.978 -9.757 1.00 0.88 O HETATM 1414 C5B COA A 87 22.158 6.736 -8.996 1.00 1.17 C HETATM 1415 O5B COA A 87 21.148 7.473 -8.252 1.00 1.09 O HETATM 1416 P1A COA A 87 21.296 9.040 -7.827 1.00 1.49 P HETATM 1417 O1A COA A 87 21.271 9.842 -9.063 1.00 1.91 O HETATM 1418 O2A COA A 87 20.251 9.321 -6.812 1.00 2.34 O HETATM 1419 O3A COA A 87 22.747 9.156 -7.270 1.00 0.96 O HETATM 1420 P2A COA A 87 22.951 8.926 -5.762 1.00 1.37 P HETATM 1421 O4A COA A 87 24.298 8.329 -5.641 1.00 1.83 O HETATM 1422 O5A COA A 87 22.637 10.194 -5.071 1.00 1.70 O HETATM 1423 O6A COA A 87 21.853 7.789 -5.375 1.00 1.92 O HETATM 1424 CBP COA A 87 22.389 5.533 -4.682 1.00 2.05 C HETATM 1425 CCP COA A 87 22.003 6.928 -4.247 1.00 2.48 C HETATM 1426 CDP COA A 87 23.599 5.531 -5.533 1.00 1.49 C HETATM 1427 CEP COA A 87 21.352 4.705 -5.458 1.00 1.86 C HETATM 1428 CAP COA A 87 22.617 4.721 -3.517 1.00 3.20 C HETATM 1429 OAP COA A 87 21.411 4.694 -2.757 1.00 5.51 O HETATM 1430 C9P COA A 87 23.850 4.810 -2.655 1.00 2.59 C HETATM 1431 O9P COA A 87 24.636 5.725 -2.514 1.00 2.89 O HETATM 1432 N8P COA A 87 23.764 3.630 -2.125 1.00 2.33 N HETATM 1433 C7P COA A 87 24.565 2.891 -1.181 1.00 2.42 C HETATM 1434 C6P COA A 87 25.944 3.541 -0.935 1.00 2.00 C HETATM 1435 C5P COA A 87 26.772 3.233 -2.161 1.00 0.17 C HETATM 1436 O5P COA A 87 27.310 2.147 -2.255 1.00 1.06 O HETATM 1437 N4P COA A 87 26.842 4.188 -3.049 1.00 0.88 N HETATM 1438 C3P COA A 87 27.611 4.027 -4.315 1.00 2.55 C HETATM 1439 C2P COA A 87 26.548 4.290 -5.377 1.00 2.78 C HETATM 1440 S1P COA A 87 26.185 3.071 -6.664 1.00 3.91 S HETATM 0 HO2A COA A 87 19.390 6.259 -13.008 1.00 0.64 H new HETATM 0 H62A COA A 87 15.946 4.439 -5.078 1.00 0.69 H new HETATM 0 H61A COA A 87 15.506 2.729 -5.124 1.00 0.69 H new HETATM 0 H52A COA A 87 22.628 6.023 -8.318 1.00 1.17 H new HETATM 0 H51A COA A 87 22.932 7.438 -9.307 1.00 1.17 H new HETATM 0 H143 COA A 87 20.460 4.573 -4.846 1.00 1.86 H new HETATM 0 H142 COA A 87 21.087 5.225 -6.379 1.00 1.86 H new HETATM 0 H141 COA A 87 21.773 3.729 -5.700 1.00 1.86 H new HETATM 0 H133 COA A 87 23.416 6.127 -6.427 1.00 1.49 H new HETATM 0 H132 COA A 87 24.435 5.957 -4.978 1.00 1.49 H new HETATM 0 H131 COA A 87 23.839 4.508 -5.822 1.00 1.49 H new HETATM 0 H122 COA A 87 22.764 7.328 -3.577 1.00 2.48 H new HETATM 0 H121 COA A 87 21.070 6.893 -3.684 1.00 2.48 H new HETATM 0 HO1 COA A 87 21.542 5.184 -1.919 1.00 5.51 H new HETATM 0 HN8 COA A 87 22.949 3.109 -2.447 1.00 2.33 H new HETATM 0 HN4 COA A 87 26.357 5.068 -2.871 1.00 0.88 H new HETATM 0 H8A COA A 87 18.752 7.139 -8.169 1.00 0.54 H new HETATM 0 H72 COA A 87 24.029 2.816 -0.235 1.00 2.42 H new HETATM 0 H71 COA A 87 24.707 1.874 -1.548 1.00 2.42 H new HETATM 0 H62 COA A 87 25.848 4.617 -0.789 1.00 2.00 H new HETATM 0 H61 COA A 87 26.411 3.138 -0.037 1.00 2.00 H new HETATM 0 H4B COA A 87 22.550 5.583 -10.777 1.00 1.10 H new HETATM 0 H3B COA A 87 21.148 7.839 -11.297 1.00 1.10 H new HETATM 0 H32 COA A 87 28.437 4.735 -4.382 1.00 2.55 H new HETATM 0 H31 COA A 87 28.039 3.029 -4.407 1.00 2.55 H new HETATM 0 H2B COA A 87 18.947 7.302 -10.469 1.00 0.79 H new HETATM 0 H2A COA A 87 17.253 0.917 -8.661 1.00 0.65 H new HETATM 0 H22 COA A 87 25.614 4.484 -4.850 1.00 2.78 H new HETATM 0 H21 COA A 87 26.826 5.214 -5.884 1.00 2.78 H new HETATM 0 H1B COA A 87 19.048 4.454 -10.937 1.00 0.64 H new HETATM 0 H10 COA A 87 22.908 3.777 -3.978 1.00 3.20 H new HETATM 1472 C1 PLM A 88 25.456 1.834 -5.565 1.00 2.60 C HETATM 1473 O2 PLM A 88 25.990 0.767 -5.355 1.00 3.37 O HETATM 1474 C2 PLM A 88 24.141 2.201 -4.899 1.00 0.89 C HETATM 1475 C3 PLM A 88 23.090 1.075 -4.628 1.00 0.72 C HETATM 1476 C4 PLM A 88 22.136 1.035 -5.890 1.00 0.98 C HETATM 1477 C5 PLM A 88 21.433 -0.228 -6.126 1.00 0.81 C HETATM 1478 C6 PLM A 88 21.132 -0.316 -7.638 1.00 1.04 C HETATM 1479 C7 PLM A 88 20.345 0.872 -8.119 1.00 0.70 C HETATM 1480 C8 PLM A 88 21.062 2.301 -8.336 1.00 1.39 C HETATM 1481 C9 PLM A 88 21.966 2.397 -9.592 1.00 1.61 C HETATM 1482 CA PLM A 88 23.299 1.681 -9.505 1.00 1.41 C HETATM 1483 CB PLM A 88 23.548 1.080 -10.895 1.00 0.99 C HETATM 1484 CC PLM A 88 22.436 -0.054 -11.143 1.00 1.12 C HETATM 1485 CD PLM A 88 22.912 -1.430 -11.808 1.00 0.99 C HETATM 1486 CE PLM A 88 23.974 -1.902 -10.923 1.00 0.16 C HETATM 1487 CF PLM A 88 24.966 -3.053 -11.396 1.00 0.87 C HETATM 1488 CG PLM A 88 24.268 -4.279 -11.673 1.00 1.40 C HETATM 0 HG3 PLM A 88 23.756 -4.618 -10.772 1.00 1.40 H new HETATM 0 HG2 PLM A 88 23.537 -4.111 -12.464 1.00 1.40 H new HETATM 0 HG1 PLM A 88 24.981 -5.039 -11.993 1.00 1.40 H new HETATM 0 HF2 PLM A 88 25.499 -2.729 -12.289 1.00 0.87 H new HETATM 0 HF1 PLM A 88 25.715 -3.228 -10.623 1.00 0.87 H new HETATM 0 HE2 PLM A 88 24.585 -1.037 -10.663 1.00 0.16 H new HETATM 0 HE1 PLM A 88 23.499 -2.244 -10.004 1.00 0.16 H new HETATM 0 HD2 PLM A 88 22.094 -2.148 -11.868 1.00 0.99 H new HETATM 0 HD1 PLM A 88 23.277 -1.277 -12.824 1.00 0.99 H new HETATM 0 HC2 PLM A 88 21.975 -0.287 -10.183 1.00 1.12 H new HETATM 0 HC1 PLM A 88 21.657 0.372 -11.775 1.00 1.12 H new HETATM 0 HB2 PLM A 88 23.485 1.852 -11.662 1.00 0.99 H new HETATM 0 HB1 PLM A 88 24.549 0.653 -10.953 1.00 0.99 H new HETATM 0 HA2 PLM A 88 24.096 2.372 -9.230 1.00 1.41 H new HETATM 0 HA1 PLM A 88 23.275 0.903 -8.742 1.00 1.41 H new HETATM 0 H92 PLM A 88 21.416 1.997 -10.443 1.00 1.61 H new HETATM 0 H91 PLM A 88 22.154 3.450 -9.801 1.00 1.61 H new HETATM 0 H82 PLM A 88 20.293 3.070 -8.401 1.00 1.39 H new HETATM 0 H81 PLM A 88 21.664 2.526 -7.456 1.00 1.39 H new HETATM 0 H72 PLM A 88 19.892 0.593 -9.070 1.00 0.70 H new HETATM 0 H71 PLM A 88 19.531 1.026 -7.411 1.00 0.70 H new HETATM 0 H62 PLM A 88 22.068 -0.381 -8.192 1.00 1.04 H new HETATM 0 H61 PLM A 88 20.575 -1.230 -7.846 1.00 1.04 H new HETATM 0 H52 PLM A 88 22.044 -1.072 -5.807 1.00 0.81 H new HETATM 0 H51 PLM A 88 20.509 -0.267 -5.548 1.00 0.81 H new HETATM 0 H42 PLM A 88 21.394 1.826 -5.784 1.00 0.98 H new HETATM 0 H41 PLM A 88 22.728 1.269 -6.775 1.00 0.98 H new HETATM 0 H32 PLM A 88 23.581 0.113 -4.483 1.00 0.72 H new HETATM 0 H31 PLM A 88 22.524 1.284 -3.720 1.00 0.72 H new HETATM 0 H22 PLM A 88 24.375 2.670 -3.943 1.00 0.89 H new HETATM 0 H21 PLM A 88 23.659 2.959 -5.516 1.00 0.89 H new