USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1029 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 60 SER OG : rot 52:sc= 0.536 USER MOD Set 1.2: A 90 TYR OH : rot 130:sc= 0.486 USER MOD Set 2.1: A 34 LYS NZ :NH3+ 161:sc= 2.01 (180deg=0.691) USER MOD Set 2.2: A 58 SER OG : rot 57:sc= 1.52 USER MOD Set 3.1: A 18 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 30 THR OG1 : rot 170:sc= 0 USER MOD Single : A 1 MET CE :methyl -159:sc= -0.141 (180deg=-0.579) USER MOD Single : A 1 MET N :NH3+ -178:sc= 0 (180deg=-0.00531) USER MOD Single : A 3 LYS NZ :NH3+ -163:sc= 0.765 (180deg=0.574) USER MOD Single : A 8 SER OG : rot 42:sc= 0.418 USER MOD Single : A 11 GLN : amide:sc= -0.666 K(o=-0.67,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 157:sc= 0.829 (180deg=0.526) USER MOD Single : A 20 LYS NZ :NH3+ 166:sc= -0.0343 (180deg=-0.226) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.339 X(o=-0.34,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= -0.0203 USER MOD Single : A 32 ASN : amide:sc=-0.000211 X(o=-0.00021,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0056) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 MET CE :methyl -149:sc= -0.461 (180deg=-2.19) USER MOD Single : A 52 LYS NZ :NH3+ 168:sc= -0.0644 (180deg=-0.15) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.457 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.00057) USER MOD Single : A 69 SER OG : rot 84:sc= 0.66 USER MOD Single : A 72 LYS NZ :NH3+ -131:sc= 0.0636 (180deg=-0.298) USER MOD Single : A 77 SER OG : rot 30:sc= 0.0022 USER MOD Single : A 78 SER OG : rot 180:sc=-0.00416 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 85 SER OG : rot 67:sc= 1.16 USER MOD Single : A 88 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0163) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 92 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0134) USER MOD Single : A 95 THR OG1 : rot -90:sc= 0.0664 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 101 LYS NZ :NH3+ -176:sc= 0.532 (180deg=0.525) USER MOD Single : A 105 LYS NZ :NH3+ 166:sc= 0.681 (180deg=0.598) USER MOD Single : A 113 LYS NZ :NH3+ -119:sc= 0.187 (180deg=-0.0735) USER MOD Single : A 117 SER OG : rot 54:sc= 0.265 USER MOD Single : A 120 HIS : no HD1:sc= -0.0285 X(o=-0.028,f=-0.028) USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 122 HIS : no HD1:sc= -0.198 X(o=-0.2,f=-0.057) USER MOD Single : A 123 HIS : no HD1:sc= -0.0416 X(o=-0.042,f=-0.042) USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 125 HIS : no HE2:sc= -0.576 K(o=-0.58,f=-4.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.481 6.056 -2.497 1.00 50.10 N ATOM 2 CA MET A 1 15.407 6.696 -3.294 1.00 2.02 C ATOM 3 C MET A 1 14.228 7.032 -2.369 1.00 74.23 C ATOM 4 O MET A 1 13.396 6.172 -2.065 1.00 4.50 O ATOM 5 CB MET A 1 14.953 5.778 -4.462 1.00 75.50 C ATOM 6 CG MET A 1 15.973 5.604 -5.597 1.00 61.11 C ATOM 7 SD MET A 1 16.193 7.104 -6.583 1.00 42.45 S ATOM 8 CE MET A 1 14.571 7.287 -7.328 1.00 64.24 C ATOM 0 H1 MET A 1 17.297 5.856 -3.111 1.00 50.10 H new ATOM 0 H2 MET A 1 16.773 6.696 -1.731 1.00 50.10 H new ATOM 0 H3 MET A 1 16.128 5.166 -2.090 1.00 50.10 H new ATOM 0 HA MET A 1 15.791 7.615 -3.737 1.00 2.02 H new ATOM 0 HB2 MET A 1 14.714 4.795 -4.057 1.00 75.50 H new ATOM 0 HB3 MET A 1 14.032 6.182 -4.883 1.00 75.50 H new ATOM 0 HG2 MET A 1 16.933 5.310 -5.173 1.00 61.11 H new ATOM 0 HG3 MET A 1 15.649 4.792 -6.248 1.00 61.11 H new ATOM 0 HE1 MET A 1 14.648 7.912 -8.218 1.00 64.24 H new ATOM 0 HE2 MET A 1 14.185 6.306 -7.606 1.00 64.24 H new ATOM 0 HE3 MET A 1 13.893 7.754 -6.614 1.00 64.24 H new ATOM 20 N GLY A 2 14.192 8.287 -1.904 1.00 61.20 N ATOM 21 CA GLY A 2 13.193 8.735 -0.948 1.00 52.04 C ATOM 22 C GLY A 2 11.870 9.098 -1.602 1.00 22.31 C ATOM 23 O GLY A 2 11.657 10.260 -1.981 1.00 42.45 O ATOM 0 H GLY A 2 14.854 9.011 -2.183 1.00 61.20 H new ATOM 0 HA2 GLY A 2 13.025 7.950 -0.211 1.00 52.04 H new ATOM 0 HA3 GLY A 2 13.576 9.602 -0.409 1.00 52.04 H new ATOM 27 N LYS A 3 11.000 8.090 -1.774 1.00 2.42 N ATOM 28 CA LYS A 3 9.586 8.307 -2.091 1.00 22.43 C ATOM 29 C LYS A 3 8.748 7.108 -1.649 1.00 44.33 C ATOM 30 O LYS A 3 8.684 6.075 -2.344 1.00 44.02 O ATOM 31 CB LYS A 3 9.331 8.626 -3.595 1.00 61.33 C ATOM 32 CG LYS A 3 7.849 8.976 -3.934 1.00 23.12 C ATOM 33 CD LYS A 3 7.278 10.128 -3.067 1.00 11.01 C ATOM 34 CE LYS A 3 8.044 11.448 -3.239 1.00 43.23 C ATOM 35 NZ LYS A 3 7.644 12.462 -2.226 1.00 63.51 N ATOM 0 H LYS A 3 11.259 7.106 -1.697 1.00 2.42 H new ATOM 0 HA LYS A 3 9.279 9.191 -1.533 1.00 22.43 H new ATOM 0 HB2 LYS A 3 9.966 9.461 -3.890 1.00 61.33 H new ATOM 0 HB3 LYS A 3 9.635 7.767 -4.193 1.00 61.33 H new ATOM 0 HG2 LYS A 3 7.780 9.253 -4.986 1.00 23.12 H new ATOM 0 HG3 LYS A 3 7.233 8.088 -3.797 1.00 23.12 H new ATOM 0 HD2 LYS A 3 6.231 10.286 -3.327 1.00 11.01 H new ATOM 0 HD3 LYS A 3 7.305 9.833 -2.018 1.00 11.01 H new ATOM 0 HE2 LYS A 3 9.114 11.259 -3.159 1.00 43.23 H new ATOM 0 HE3 LYS A 3 7.864 11.844 -4.239 1.00 43.23 H new ATOM 0 HZ1 LYS A 3 7.953 13.405 -2.538 1.00 63.51 H new ATOM 0 HZ2 LYS A 3 6.610 12.455 -2.117 1.00 63.51 H new ATOM 0 HZ3 LYS A 3 8.090 12.236 -1.314 1.00 63.51 H new ATOM 49 N VAL A 4 8.142 7.259 -0.462 1.00 34.32 N ATOM 50 CA VAL A 4 7.083 6.376 0.020 1.00 34.11 C ATOM 51 C VAL A 4 5.737 7.006 -0.355 1.00 23.54 C ATOM 52 O VAL A 4 5.562 8.222 -0.213 1.00 72.10 O ATOM 53 CB VAL A 4 7.133 6.166 1.578 1.00 23.52 C ATOM 54 CG1 VAL A 4 6.113 5.081 2.022 1.00 34.42 C ATOM 55 CG2 VAL A 4 8.571 5.848 2.058 1.00 63.23 C ATOM 0 H VAL A 4 8.379 8.005 0.192 1.00 34.32 H new ATOM 0 HA VAL A 4 7.218 5.398 -0.441 1.00 34.11 H new ATOM 0 HB VAL A 4 6.842 7.101 2.057 1.00 23.52 H new ATOM 0 HG11 VAL A 4 6.166 4.953 3.103 1.00 34.42 H new ATOM 0 HG12 VAL A 4 5.106 5.392 1.742 1.00 34.42 H new ATOM 0 HG13 VAL A 4 6.351 4.136 1.533 1.00 34.42 H new ATOM 0 HG21 VAL A 4 8.571 5.708 3.139 1.00 63.23 H new ATOM 0 HG22 VAL A 4 8.923 4.937 1.574 1.00 63.23 H new ATOM 0 HG23 VAL A 4 9.232 6.675 1.799 1.00 63.23 H new ATOM 65 N VAL A 5 4.817 6.194 -0.875 1.00 2.14 N ATOM 66 CA VAL A 5 3.447 6.620 -1.184 1.00 64.31 C ATOM 67 C VAL A 5 2.470 5.624 -0.552 1.00 34.03 C ATOM 68 O VAL A 5 2.522 4.431 -0.850 1.00 43.30 O ATOM 69 CB VAL A 5 3.207 6.716 -2.741 1.00 22.25 C ATOM 70 CG1 VAL A 5 1.727 7.010 -3.084 1.00 60.10 C ATOM 71 CG2 VAL A 5 4.143 7.777 -3.373 1.00 11.23 C ATOM 0 H VAL A 5 5.000 5.215 -1.096 1.00 2.14 H new ATOM 0 HA VAL A 5 3.284 7.616 -0.773 1.00 64.31 H new ATOM 0 HB VAL A 5 3.447 5.742 -3.168 1.00 22.25 H new ATOM 0 HG11 VAL A 5 1.609 7.067 -4.166 1.00 60.10 H new ATOM 0 HG12 VAL A 5 1.097 6.211 -2.692 1.00 60.10 H new ATOM 0 HG13 VAL A 5 1.431 7.959 -2.636 1.00 60.10 H new ATOM 0 HG21 VAL A 5 3.962 7.828 -4.447 1.00 11.23 H new ATOM 0 HG22 VAL A 5 3.944 8.751 -2.925 1.00 11.23 H new ATOM 0 HG23 VAL A 5 5.182 7.500 -3.193 1.00 11.23 H new ATOM 81 N PHE A 6 1.610 6.109 0.348 1.00 32.14 N ATOM 82 CA PHE A 6 0.542 5.300 0.925 1.00 61.05 C ATOM 83 C PHE A 6 -0.771 5.592 0.194 1.00 13.21 C ATOM 84 O PHE A 6 -1.262 6.725 0.197 1.00 75.32 O ATOM 85 CB PHE A 6 0.374 5.555 2.445 1.00 42.32 C ATOM 86 CG PHE A 6 -0.694 4.660 3.064 1.00 20.23 C ATOM 87 CD1 PHE A 6 -0.422 3.315 3.307 1.00 72.44 C ATOM 88 CD2 PHE A 6 -1.965 5.143 3.372 1.00 11.52 C ATOM 89 CE1 PHE A 6 -1.387 2.474 3.809 1.00 23.32 C ATOM 90 CE2 PHE A 6 -2.927 4.302 3.886 1.00 65.32 C ATOM 91 CZ PHE A 6 -2.633 2.965 4.108 1.00 60.12 C ATOM 0 H PHE A 6 1.637 7.068 0.693 1.00 32.14 H new ATOM 0 HA PHE A 6 0.812 4.251 0.801 1.00 61.05 H new ATOM 0 HB2 PHE A 6 1.326 5.383 2.948 1.00 42.32 H new ATOM 0 HB3 PHE A 6 0.110 6.600 2.610 1.00 42.32 H new ATOM 0 HD1 PHE A 6 0.564 2.927 3.097 1.00 72.44 H new ATOM 0 HD2 PHE A 6 -2.197 6.185 3.206 1.00 11.52 H new ATOM 0 HE1 PHE A 6 -1.165 1.429 3.968 1.00 23.32 H new ATOM 0 HE2 PHE A 6 -3.911 4.684 4.116 1.00 65.32 H new ATOM 0 HZ PHE A 6 -3.387 2.309 4.517 1.00 60.12 H new ATOM 101 N LEU A 7 -1.314 4.562 -0.429 1.00 71.53 N ATOM 102 CA LEU A 7 -2.648 4.579 -1.012 1.00 33.15 C ATOM 103 C LEU A 7 -3.601 3.804 -0.089 1.00 62.42 C ATOM 104 O LEU A 7 -3.209 2.793 0.505 1.00 4.02 O ATOM 105 CB LEU A 7 -2.595 3.931 -2.421 1.00 72.12 C ATOM 106 CG LEU A 7 -3.964 3.674 -3.117 1.00 61.52 C ATOM 107 CD1 LEU A 7 -4.779 4.979 -3.299 1.00 5.31 C ATOM 108 CD2 LEU A 7 -3.757 2.935 -4.455 1.00 72.23 C ATOM 0 H LEU A 7 -0.832 3.671 -0.548 1.00 71.53 H new ATOM 0 HA LEU A 7 -3.010 5.602 -1.114 1.00 33.15 H new ATOM 0 HB2 LEU A 7 -1.997 4.572 -3.069 1.00 72.12 H new ATOM 0 HB3 LEU A 7 -2.069 2.980 -2.340 1.00 72.12 H new ATOM 0 HG LEU A 7 -4.556 3.033 -2.464 1.00 61.52 H new ATOM 0 HD11 LEU A 7 -5.726 4.751 -3.788 1.00 5.31 H new ATOM 0 HD12 LEU A 7 -4.973 5.426 -2.324 1.00 5.31 H new ATOM 0 HD13 LEU A 7 -4.212 5.679 -3.913 1.00 5.31 H new ATOM 0 HD21 LEU A 7 -4.723 2.763 -4.929 1.00 72.23 H new ATOM 0 HD22 LEU A 7 -3.133 3.541 -5.112 1.00 72.23 H new ATOM 0 HD23 LEU A 7 -3.268 1.978 -4.270 1.00 72.23 H new ATOM 120 N SER A 8 -4.833 4.299 0.059 1.00 65.43 N ATOM 121 CA SER A 8 -5.923 3.547 0.681 1.00 35.33 C ATOM 122 C SER A 8 -7.248 4.007 0.085 1.00 74.50 C ATOM 123 O SER A 8 -7.416 5.182 -0.248 1.00 32.43 O ATOM 124 CB SER A 8 -5.933 3.722 2.211 1.00 71.33 C ATOM 125 OG SER A 8 -7.013 3.023 2.819 1.00 21.34 O ATOM 0 H SER A 8 -5.102 5.233 -0.250 1.00 65.43 H new ATOM 0 HA SER A 8 -5.774 2.486 0.479 1.00 35.33 H new ATOM 0 HB2 SER A 8 -4.990 3.363 2.623 1.00 71.33 H new ATOM 0 HB3 SER A 8 -6.004 4.782 2.454 1.00 71.33 H new ATOM 0 HG SER A 8 -7.110 2.143 2.400 1.00 21.34 H new ATOM 131 N ASP A 9 -8.188 3.069 -0.020 1.00 24.13 N ATOM 132 CA ASP A 9 -9.532 3.325 -0.560 1.00 31.14 C ATOM 133 C ASP A 9 -10.459 3.819 0.569 1.00 71.55 C ATOM 134 O ASP A 9 -11.524 4.387 0.307 1.00 41.40 O ATOM 135 CB ASP A 9 -10.059 2.017 -1.200 1.00 32.52 C ATOM 136 CG ASP A 9 -11.394 2.149 -1.946 1.00 32.34 C ATOM 137 OD1 ASP A 9 -11.412 2.755 -3.037 1.00 14.23 O ATOM 138 OD2 ASP A 9 -12.415 1.613 -1.471 1.00 60.41 O ATOM 0 H ASP A 9 -8.042 2.101 0.268 1.00 24.13 H new ATOM 0 HA ASP A 9 -9.501 4.102 -1.324 1.00 31.14 H new ATOM 0 HB2 ASP A 9 -9.308 1.643 -1.895 1.00 32.52 H new ATOM 0 HB3 ASP A 9 -10.171 1.267 -0.417 1.00 32.52 H new ATOM 143 N ASP A 10 -10.025 3.588 1.830 1.00 70.25 N ATOM 144 CA ASP A 10 -10.719 4.058 3.046 1.00 50.22 C ATOM 145 C ASP A 10 -9.993 5.302 3.611 1.00 44.14 C ATOM 146 O ASP A 10 -8.770 5.270 3.796 1.00 45.24 O ATOM 147 CB ASP A 10 -10.768 2.919 4.105 1.00 23.15 C ATOM 148 CG ASP A 10 -11.515 3.312 5.400 1.00 31.34 C ATOM 149 OD1 ASP A 10 -12.715 2.988 5.534 1.00 11.41 O ATOM 150 OD2 ASP A 10 -10.915 3.963 6.281 1.00 35.24 O ATOM 0 H ASP A 10 -9.173 3.064 2.031 1.00 70.25 H new ATOM 0 HA ASP A 10 -11.743 4.336 2.795 1.00 50.22 H new ATOM 0 HB2 ASP A 10 -11.252 2.047 3.666 1.00 23.15 H new ATOM 0 HB3 ASP A 10 -9.749 2.625 4.358 1.00 23.15 H new ATOM 155 N GLN A 11 -10.758 6.376 3.890 1.00 61.24 N ATOM 156 CA GLN A 11 -10.220 7.680 4.346 1.00 53.11 C ATOM 157 C GLN A 11 -9.596 7.625 5.758 1.00 3.41 C ATOM 158 O GLN A 11 -8.529 8.221 5.980 1.00 1.31 O ATOM 159 CB GLN A 11 -11.337 8.757 4.294 1.00 0.44 C ATOM 160 CG GLN A 11 -10.912 10.183 4.737 1.00 75.42 C ATOM 161 CD GLN A 11 -9.794 10.799 3.887 1.00 42.42 C ATOM 162 OE1 GLN A 11 -10.055 11.442 2.875 1.00 45.35 O ATOM 163 NE2 GLN A 11 -8.548 10.627 4.303 1.00 33.14 N ATOM 0 H GLN A 11 -11.774 6.366 3.806 1.00 61.24 H new ATOM 0 HA GLN A 11 -9.412 7.944 3.664 1.00 53.11 H new ATOM 0 HB2 GLN A 11 -11.718 8.811 3.274 1.00 0.44 H new ATOM 0 HB3 GLN A 11 -12.163 8.430 4.926 1.00 0.44 H new ATOM 0 HG2 GLN A 11 -11.783 10.837 4.700 1.00 75.42 H new ATOM 0 HG3 GLN A 11 -10.585 10.146 5.776 1.00 75.42 H new ATOM 0 HE21 GLN A 11 -8.362 10.087 5.148 1.00 33.14 H new ATOM 0 HE22 GLN A 11 -7.774 11.034 3.778 1.00 33.14 H new ATOM 172 N GLU A 12 -10.256 6.924 6.701 1.00 11.32 N ATOM 173 CA GLU A 12 -9.787 6.841 8.104 1.00 0.51 C ATOM 174 C GLU A 12 -8.367 6.260 8.162 1.00 11.31 C ATOM 175 O GLU A 12 -7.492 6.805 8.847 1.00 42.13 O ATOM 176 CB GLU A 12 -10.747 5.985 8.969 1.00 31.23 C ATOM 177 CG GLU A 12 -12.186 6.530 9.060 1.00 3.55 C ATOM 178 CD GLU A 12 -13.098 5.673 9.955 1.00 52.11 C ATOM 179 OE1 GLU A 12 -13.939 4.916 9.425 1.00 25.20 O ATOM 180 OE2 GLU A 12 -12.969 5.747 11.197 1.00 51.50 O ATOM 0 H GLU A 12 -11.116 6.406 6.519 1.00 11.32 H new ATOM 0 HA GLU A 12 -9.774 7.852 8.510 1.00 0.51 H new ATOM 0 HB2 GLU A 12 -10.780 4.975 8.561 1.00 31.23 H new ATOM 0 HB3 GLU A 12 -10.337 5.908 9.976 1.00 31.23 H new ATOM 0 HG2 GLU A 12 -12.159 7.548 9.448 1.00 3.55 H new ATOM 0 HG3 GLU A 12 -12.613 6.581 8.059 1.00 3.55 H new ATOM 187 N ILE A 13 -8.159 5.172 7.399 1.00 34.34 N ATOM 188 CA ILE A 13 -6.843 4.532 7.222 1.00 40.25 C ATOM 189 C ILE A 13 -5.756 5.563 6.802 1.00 33.25 C ATOM 190 O ILE A 13 -4.667 5.605 7.392 1.00 11.34 O ATOM 191 CB ILE A 13 -6.898 3.421 6.114 1.00 63.22 C ATOM 192 CG1 ILE A 13 -7.996 2.339 6.375 1.00 44.51 C ATOM 193 CG2 ILE A 13 -5.528 2.760 5.948 1.00 63.31 C ATOM 194 CD1 ILE A 13 -7.724 1.359 7.498 1.00 1.32 C ATOM 0 H ILE A 13 -8.907 4.708 6.883 1.00 34.34 H new ATOM 0 HA ILE A 13 -6.585 4.094 8.186 1.00 40.25 H new ATOM 0 HB ILE A 13 -7.174 3.926 5.188 1.00 63.22 H new ATOM 0 HG12 ILE A 13 -8.935 2.850 6.588 1.00 44.51 H new ATOM 0 HG13 ILE A 13 -8.142 1.772 5.455 1.00 44.51 H new ATOM 0 HG21 ILE A 13 -5.585 1.993 5.176 1.00 63.31 H new ATOM 0 HG22 ILE A 13 -4.794 3.512 5.658 1.00 63.31 H new ATOM 0 HG23 ILE A 13 -5.227 2.304 6.891 1.00 63.31 H new ATOM 0 HD11 ILE A 13 -8.556 0.660 7.581 1.00 1.32 H new ATOM 0 HD12 ILE A 13 -6.807 0.808 7.286 1.00 1.32 H new ATOM 0 HD13 ILE A 13 -7.612 1.903 8.436 1.00 1.32 H new ATOM 206 N ILE A 14 -6.084 6.368 5.765 1.00 2.51 N ATOM 207 CA ILE A 14 -5.182 7.396 5.191 1.00 71.45 C ATOM 208 C ILE A 14 -4.695 8.359 6.282 1.00 2.44 C ATOM 209 O ILE A 14 -3.492 8.613 6.404 1.00 43.23 O ATOM 210 CB ILE A 14 -5.913 8.221 4.060 1.00 74.21 C ATOM 211 CG1 ILE A 14 -6.385 7.295 2.903 1.00 41.53 C ATOM 212 CG2 ILE A 14 -5.027 9.366 3.511 1.00 2.01 C ATOM 213 CD1 ILE A 14 -7.265 7.981 1.873 1.00 55.24 C ATOM 0 H ILE A 14 -6.990 6.323 5.298 1.00 2.51 H new ATOM 0 HA ILE A 14 -4.327 6.878 4.758 1.00 71.45 H new ATOM 0 HB ILE A 14 -6.791 8.675 4.519 1.00 74.21 H new ATOM 0 HG12 ILE A 14 -5.509 6.886 2.400 1.00 41.53 H new ATOM 0 HG13 ILE A 14 -6.931 6.453 3.327 1.00 41.53 H new ATOM 0 HG21 ILE A 14 -5.570 9.906 2.736 1.00 2.01 H new ATOM 0 HG22 ILE A 14 -4.774 10.050 4.321 1.00 2.01 H new ATOM 0 HG23 ILE A 14 -4.113 8.948 3.090 1.00 2.01 H new ATOM 0 HD11 ILE A 14 -7.549 7.265 1.102 1.00 55.24 H new ATOM 0 HD12 ILE A 14 -8.162 8.366 2.359 1.00 55.24 H new ATOM 0 HD13 ILE A 14 -6.717 8.806 1.417 1.00 55.24 H new ATOM 225 N GLU A 15 -5.650 8.855 7.079 1.00 40.32 N ATOM 226 CA GLU A 15 -5.388 9.841 8.140 1.00 50.10 C ATOM 227 C GLU A 15 -4.533 9.245 9.269 1.00 70.53 C ATOM 228 O GLU A 15 -3.728 9.955 9.870 1.00 53.12 O ATOM 229 CB GLU A 15 -6.721 10.384 8.699 1.00 13.11 C ATOM 230 CG GLU A 15 -7.621 11.056 7.640 1.00 52.52 C ATOM 231 CD GLU A 15 -8.907 11.637 8.237 1.00 51.15 C ATOM 232 OE1 GLU A 15 -8.966 12.865 8.484 1.00 24.44 O ATOM 233 OE2 GLU A 15 -9.854 10.861 8.481 1.00 3.42 O ATOM 0 H GLU A 15 -6.631 8.584 7.007 1.00 40.32 H new ATOM 0 HA GLU A 15 -4.823 10.664 7.702 1.00 50.10 H new ATOM 0 HB2 GLU A 15 -7.271 9.563 9.160 1.00 13.11 H new ATOM 0 HB3 GLU A 15 -6.505 11.105 9.487 1.00 13.11 H new ATOM 0 HG2 GLU A 15 -7.063 11.852 7.147 1.00 52.52 H new ATOM 0 HG3 GLU A 15 -7.879 10.326 6.873 1.00 52.52 H new ATOM 240 N GLU A 16 -4.721 7.947 9.552 1.00 44.22 N ATOM 241 CA GLU A 16 -3.926 7.221 10.561 1.00 33.54 C ATOM 242 C GLU A 16 -2.451 7.136 10.160 1.00 22.23 C ATOM 243 O GLU A 16 -1.562 7.454 10.954 1.00 50.02 O ATOM 244 CB GLU A 16 -4.491 5.796 10.762 1.00 33.15 C ATOM 245 CG GLU A 16 -5.872 5.755 11.425 1.00 51.45 C ATOM 246 CD GLU A 16 -5.880 6.318 12.853 1.00 2.35 C ATOM 247 OE1 GLU A 16 -5.284 5.684 13.745 1.00 65.51 O ATOM 248 OE2 GLU A 16 -6.502 7.380 13.094 1.00 3.24 O ATOM 0 H GLU A 16 -5.425 7.371 9.091 1.00 44.22 H new ATOM 0 HA GLU A 16 -3.994 7.777 11.496 1.00 33.54 H new ATOM 0 HB2 GLU A 16 -4.551 5.301 9.793 1.00 33.15 H new ATOM 0 HB3 GLU A 16 -3.791 5.222 11.370 1.00 33.15 H new ATOM 0 HG2 GLU A 16 -6.576 6.321 10.815 1.00 51.45 H new ATOM 0 HG3 GLU A 16 -6.226 4.724 11.447 1.00 51.45 H new ATOM 255 N VAL A 17 -2.213 6.714 8.916 1.00 64.10 N ATOM 256 CA VAL A 17 -0.863 6.508 8.385 1.00 10.51 C ATOM 257 C VAL A 17 -0.145 7.850 8.147 1.00 2.12 C ATOM 258 O VAL A 17 1.055 7.955 8.388 1.00 25.03 O ATOM 259 CB VAL A 17 -0.922 5.662 7.065 1.00 73.12 C ATOM 260 CG1 VAL A 17 0.472 5.498 6.416 1.00 51.41 C ATOM 261 CG2 VAL A 17 -1.579 4.282 7.329 1.00 64.43 C ATOM 0 H VAL A 17 -2.953 6.505 8.246 1.00 64.10 H new ATOM 0 HA VAL A 17 -0.286 5.955 9.126 1.00 10.51 H new ATOM 0 HB VAL A 17 -1.541 6.210 6.355 1.00 73.12 H new ATOM 0 HG11 VAL A 17 0.382 4.906 5.505 1.00 51.41 H new ATOM 0 HG12 VAL A 17 0.877 6.480 6.172 1.00 51.41 H new ATOM 0 HG13 VAL A 17 1.141 4.993 7.113 1.00 51.41 H new ATOM 0 HG21 VAL A 17 -1.611 3.711 6.401 1.00 64.43 H new ATOM 0 HG22 VAL A 17 -0.995 3.737 8.071 1.00 64.43 H new ATOM 0 HG23 VAL A 17 -2.593 4.427 7.700 1.00 64.43 H new ATOM 271 N SER A 18 -0.895 8.866 7.683 1.00 11.42 N ATOM 272 CA SER A 18 -0.353 10.217 7.421 1.00 1.44 C ATOM 273 C SER A 18 0.020 10.927 8.736 1.00 15.41 C ATOM 274 O SER A 18 1.044 11.623 8.804 1.00 50.11 O ATOM 275 CB SER A 18 -1.382 11.059 6.630 1.00 41.31 C ATOM 276 OG SER A 18 -0.858 12.331 6.259 1.00 45.53 O ATOM 0 H SER A 18 -1.890 8.777 7.479 1.00 11.42 H new ATOM 0 HA SER A 18 0.553 10.112 6.825 1.00 1.44 H new ATOM 0 HB2 SER A 18 -1.683 10.516 5.734 1.00 41.31 H new ATOM 0 HB3 SER A 18 -2.278 11.198 7.235 1.00 41.31 H new ATOM 0 HG SER A 18 -1.537 12.832 5.760 1.00 45.53 H new ATOM 282 N LYS A 19 -0.824 10.738 9.772 1.00 75.51 N ATOM 283 CA LYS A 19 -0.580 11.291 11.119 1.00 33.04 C ATOM 284 C LYS A 19 0.657 10.631 11.746 1.00 71.12 C ATOM 285 O LYS A 19 1.506 11.313 12.323 1.00 42.24 O ATOM 286 CB LYS A 19 -1.831 11.097 12.028 1.00 75.12 C ATOM 287 CG LYS A 19 -1.680 11.586 13.492 1.00 52.54 C ATOM 288 CD LYS A 19 -1.289 13.078 13.610 1.00 25.51 C ATOM 289 CE LYS A 19 -2.334 14.040 13.014 1.00 34.53 C ATOM 290 NZ LYS A 19 -1.842 15.447 13.013 1.00 60.21 N ATOM 0 H LYS A 19 -1.688 10.201 9.698 1.00 75.51 H new ATOM 0 HA LYS A 19 -0.393 12.361 11.028 1.00 33.04 H new ATOM 0 HB2 LYS A 19 -2.672 11.621 11.574 1.00 75.12 H new ATOM 0 HB3 LYS A 19 -2.086 10.037 12.043 1.00 75.12 H new ATOM 0 HG2 LYS A 19 -2.620 11.423 14.019 1.00 52.54 H new ATOM 0 HG3 LYS A 19 -0.924 10.980 13.992 1.00 52.54 H new ATOM 0 HD2 LYS A 19 -1.140 13.323 14.661 1.00 25.51 H new ATOM 0 HD3 LYS A 19 -0.335 13.235 13.107 1.00 25.51 H new ATOM 0 HE2 LYS A 19 -2.571 13.735 11.995 1.00 34.53 H new ATOM 0 HE3 LYS A 19 -3.258 13.977 13.589 1.00 34.53 H new ATOM 0 HZ1 LYS A 19 -2.352 15.993 12.289 1.00 60.21 H new ATOM 0 HZ2 LYS A 19 -2.006 15.873 13.948 1.00 60.21 H new ATOM 0 HZ3 LYS A 19 -0.824 15.459 12.801 1.00 60.21 H new ATOM 304 N LYS A 20 0.738 9.299 11.606 1.00 1.34 N ATOM 305 CA LYS A 20 1.873 8.496 12.096 1.00 4.01 C ATOM 306 C LYS A 20 3.170 8.851 11.345 1.00 10.12 C ATOM 307 O LYS A 20 4.260 8.880 11.934 1.00 11.43 O ATOM 308 CB LYS A 20 1.549 6.996 11.951 1.00 22.11 C ATOM 309 CG LYS A 20 2.608 6.071 12.571 1.00 52.44 C ATOM 310 CD LYS A 20 2.162 4.605 12.580 1.00 1.14 C ATOM 311 CE LYS A 20 3.147 3.713 13.329 1.00 34.41 C ATOM 312 NZ LYS A 20 3.272 4.077 14.768 1.00 61.52 N ATOM 0 H LYS A 20 0.015 8.744 11.148 1.00 1.34 H new ATOM 0 HA LYS A 20 2.032 8.724 13.150 1.00 4.01 H new ATOM 0 HB2 LYS A 20 0.585 6.795 12.419 1.00 22.11 H new ATOM 0 HB3 LYS A 20 1.446 6.757 10.893 1.00 22.11 H new ATOM 0 HG2 LYS A 20 3.539 6.162 12.012 1.00 52.44 H new ATOM 0 HG3 LYS A 20 2.816 6.392 13.592 1.00 52.44 H new ATOM 0 HD2 LYS A 20 1.178 4.528 13.043 1.00 1.14 H new ATOM 0 HD3 LYS A 20 2.060 4.251 11.554 1.00 1.14 H new ATOM 0 HE2 LYS A 20 2.825 2.675 13.248 1.00 34.41 H new ATOM 0 HE3 LYS A 20 4.126 3.781 12.855 1.00 34.41 H new ATOM 0 HZ1 LYS A 20 3.757 3.312 15.279 1.00 61.52 H new ATOM 0 HZ2 LYS A 20 3.821 4.956 14.857 1.00 61.52 H new ATOM 0 HZ3 LYS A 20 2.325 4.218 15.174 1.00 61.52 H new ATOM 326 N ALA A 21 3.027 9.140 10.043 1.00 74.11 N ATOM 327 CA ALA A 21 4.143 9.572 9.189 1.00 24.40 C ATOM 328 C ALA A 21 4.645 10.958 9.606 1.00 1.11 C ATOM 329 O ALA A 21 5.825 11.252 9.461 1.00 12.31 O ATOM 330 CB ALA A 21 3.722 9.586 7.717 1.00 12.11 C ATOM 0 H ALA A 21 2.135 9.081 9.553 1.00 74.11 H new ATOM 0 HA ALA A 21 4.957 8.858 9.314 1.00 24.40 H new ATOM 0 HB1 ALA A 21 4.562 9.908 7.101 1.00 12.11 H new ATOM 0 HB2 ALA A 21 3.416 8.584 7.417 1.00 12.11 H new ATOM 0 HB3 ALA A 21 2.888 10.276 7.584 1.00 12.11 H new ATOM 336 N GLU A 22 3.725 11.799 10.109 1.00 63.42 N ATOM 337 CA GLU A 22 4.057 13.137 10.631 1.00 12.22 C ATOM 338 C GLU A 22 4.823 13.015 11.965 1.00 32.33 C ATOM 339 O GLU A 22 5.783 13.760 12.198 1.00 3.44 O ATOM 340 CB GLU A 22 2.762 13.973 10.801 1.00 50.20 C ATOM 341 CG GLU A 22 2.977 15.401 11.350 1.00 3.05 C ATOM 342 CD GLU A 22 1.670 16.198 11.483 1.00 32.23 C ATOM 343 OE1 GLU A 22 1.324 16.965 10.556 1.00 62.33 O ATOM 344 OE2 GLU A 22 0.965 16.030 12.503 1.00 12.51 O ATOM 0 H GLU A 22 2.732 11.572 10.165 1.00 63.42 H new ATOM 0 HA GLU A 22 4.704 13.651 9.920 1.00 12.22 H new ATOM 0 HB2 GLU A 22 2.262 14.042 9.835 1.00 50.20 H new ATOM 0 HB3 GLU A 22 2.088 13.440 11.471 1.00 50.20 H new ATOM 0 HG2 GLU A 22 3.459 15.340 12.326 1.00 3.05 H new ATOM 0 HG3 GLU A 22 3.658 15.939 10.691 1.00 3.05 H new ATOM 351 N GLU A 23 4.392 12.059 12.822 1.00 23.51 N ATOM 352 CA GLU A 23 5.079 11.743 14.096 1.00 33.51 C ATOM 353 C GLU A 23 6.544 11.351 13.833 1.00 73.30 C ATOM 354 O GLU A 23 7.466 11.872 14.470 1.00 44.24 O ATOM 355 CB GLU A 23 4.369 10.580 14.854 1.00 3.52 C ATOM 356 CG GLU A 23 2.887 10.832 15.201 1.00 54.11 C ATOM 357 CD GLU A 23 2.235 9.700 16.027 1.00 50.20 C ATOM 358 OE1 GLU A 23 1.953 8.618 15.465 1.00 44.02 O ATOM 359 OE2 GLU A 23 1.996 9.890 17.243 1.00 75.43 O ATOM 0 H GLU A 23 3.564 11.489 12.651 1.00 23.51 H new ATOM 0 HA GLU A 23 5.042 12.639 14.716 1.00 33.51 H new ATOM 0 HB2 GLU A 23 4.435 9.677 14.246 1.00 3.52 H new ATOM 0 HB3 GLU A 23 4.914 10.383 15.777 1.00 3.52 H new ATOM 0 HG2 GLU A 23 2.808 11.766 15.758 1.00 54.11 H new ATOM 0 HG3 GLU A 23 2.325 10.964 14.276 1.00 54.11 H new ATOM 366 N GLU A 24 6.731 10.444 12.867 1.00 42.10 N ATOM 367 CA GLU A 24 8.047 9.866 12.531 1.00 22.52 C ATOM 368 C GLU A 24 8.850 10.740 11.549 1.00 11.00 C ATOM 369 O GLU A 24 10.066 10.553 11.413 1.00 21.31 O ATOM 370 CB GLU A 24 7.837 8.446 11.945 1.00 12.44 C ATOM 371 CG GLU A 24 7.359 7.385 12.964 1.00 64.43 C ATOM 372 CD GLU A 24 8.389 7.149 14.087 1.00 64.23 C ATOM 373 OE1 GLU A 24 8.293 7.795 15.155 1.00 41.53 O ATOM 374 OE2 GLU A 24 9.327 6.349 13.886 1.00 62.45 O ATOM 0 H GLU A 24 5.971 10.085 12.290 1.00 42.10 H new ATOM 0 HA GLU A 24 8.635 9.816 13.447 1.00 22.52 H new ATOM 0 HB2 GLU A 24 7.108 8.507 11.137 1.00 12.44 H new ATOM 0 HB3 GLU A 24 8.775 8.108 11.504 1.00 12.44 H new ATOM 0 HG2 GLU A 24 6.414 7.705 13.402 1.00 64.43 H new ATOM 0 HG3 GLU A 24 7.168 6.446 12.445 1.00 64.43 H new ATOM 381 N GLY A 25 8.163 11.679 10.876 1.00 24.43 N ATOM 382 CA GLY A 25 8.785 12.541 9.862 1.00 42.30 C ATOM 383 C GLY A 25 9.047 11.819 8.542 1.00 21.33 C ATOM 384 O GLY A 25 9.909 12.238 7.761 1.00 61.13 O ATOM 0 H GLY A 25 7.169 11.859 11.019 1.00 24.43 H new ATOM 0 HA2 GLY A 25 8.139 13.400 9.678 1.00 42.30 H new ATOM 0 HA3 GLY A 25 9.727 12.928 10.251 1.00 42.30 H new ATOM 388 N TYR A 26 8.307 10.716 8.306 1.00 3.11 N ATOM 389 CA TYR A 26 8.369 9.959 7.051 1.00 44.23 C ATOM 390 C TYR A 26 7.680 10.742 5.915 1.00 31.32 C ATOM 391 O TYR A 26 6.485 11.060 6.010 1.00 72.10 O ATOM 392 CB TYR A 26 7.681 8.570 7.191 1.00 41.12 C ATOM 393 CG TYR A 26 8.403 7.533 8.072 1.00 53.31 C ATOM 394 CD1 TYR A 26 9.791 7.375 8.022 1.00 23.05 C ATOM 395 CD2 TYR A 26 7.685 6.684 8.925 1.00 25.54 C ATOM 396 CE1 TYR A 26 10.431 6.404 8.775 1.00 23.34 C ATOM 397 CE2 TYR A 26 8.324 5.717 9.685 1.00 5.20 C ATOM 398 CZ TYR A 26 9.696 5.587 9.612 1.00 33.23 C ATOM 399 OH TYR A 26 10.330 4.614 10.355 1.00 21.22 O ATOM 0 H TYR A 26 7.651 10.330 8.985 1.00 3.11 H new ATOM 0 HA TYR A 26 9.423 9.810 6.815 1.00 44.23 H new ATOM 0 HB2 TYR A 26 6.680 8.724 7.595 1.00 41.12 H new ATOM 0 HB3 TYR A 26 7.561 8.146 6.194 1.00 41.12 H new ATOM 0 HD1 TYR A 26 10.375 8.022 7.384 1.00 23.05 H new ATOM 0 HD2 TYR A 26 6.612 6.785 8.992 1.00 25.54 H new ATOM 0 HE1 TYR A 26 11.502 6.286 8.708 1.00 23.34 H new ATOM 0 HE2 TYR A 26 7.751 5.068 10.331 1.00 5.20 H new ATOM 0 HH TYR A 26 9.669 4.129 10.891 1.00 21.22 H new ATOM 409 N ASP A 27 8.446 11.046 4.853 1.00 50.01 N ATOM 410 CA ASP A 27 7.907 11.605 3.602 1.00 31.11 C ATOM 411 C ASP A 27 7.045 10.532 2.899 1.00 74.43 C ATOM 412 O ASP A 27 7.566 9.650 2.200 1.00 42.11 O ATOM 413 CB ASP A 27 9.071 12.105 2.693 1.00 62.23 C ATOM 414 CG ASP A 27 8.635 12.471 1.256 1.00 24.34 C ATOM 415 OD1 ASP A 27 8.986 11.733 0.301 1.00 61.14 O ATOM 416 OD2 ASP A 27 7.921 13.482 1.074 1.00 41.45 O ATOM 0 H ASP A 27 9.457 10.911 4.838 1.00 50.01 H new ATOM 0 HA ASP A 27 7.273 12.465 3.817 1.00 31.11 H new ATOM 0 HB2 ASP A 27 9.530 12.979 3.156 1.00 62.23 H new ATOM 0 HB3 ASP A 27 9.837 11.331 2.643 1.00 62.23 H new ATOM 421 N ILE A 28 5.727 10.567 3.181 1.00 54.22 N ATOM 422 CA ILE A 28 4.742 9.660 2.574 1.00 62.42 C ATOM 423 C ILE A 28 3.641 10.484 1.886 1.00 11.11 C ATOM 424 O ILE A 28 3.009 11.331 2.525 1.00 11.13 O ATOM 425 CB ILE A 28 4.075 8.699 3.634 1.00 3.01 C ATOM 426 CG1 ILE A 28 5.145 7.893 4.436 1.00 63.10 C ATOM 427 CG2 ILE A 28 3.079 7.740 2.943 1.00 53.32 C ATOM 428 CD1 ILE A 28 4.574 6.855 5.398 1.00 3.22 C ATOM 0 H ILE A 28 5.318 11.230 3.840 1.00 54.22 H new ATOM 0 HA ILE A 28 5.274 9.042 1.851 1.00 62.42 H new ATOM 0 HB ILE A 28 3.530 9.320 4.345 1.00 3.01 H new ATOM 0 HG12 ILE A 28 5.805 7.389 3.730 1.00 63.10 H new ATOM 0 HG13 ILE A 28 5.759 8.594 5.002 1.00 63.10 H new ATOM 0 HG21 ILE A 28 2.628 7.085 3.688 1.00 53.32 H new ATOM 0 HG22 ILE A 28 2.298 8.319 2.450 1.00 53.32 H new ATOM 0 HG23 ILE A 28 3.607 7.139 2.203 1.00 53.32 H new ATOM 0 HD11 ILE A 28 5.390 6.346 5.910 1.00 3.22 H new ATOM 0 HD12 ILE A 28 3.938 7.350 6.132 1.00 3.22 H new ATOM 0 HD13 ILE A 28 3.985 6.127 4.840 1.00 3.22 H new ATOM 440 N GLN A 29 3.451 10.250 0.579 1.00 2.41 N ATOM 441 CA GLN A 29 2.335 10.815 -0.184 1.00 15.34 C ATOM 442 C GLN A 29 1.096 9.942 0.035 1.00 14.33 C ATOM 443 O GLN A 29 1.067 8.784 -0.375 1.00 53.32 O ATOM 444 CB GLN A 29 2.694 10.879 -1.688 1.00 1.24 C ATOM 445 CG GLN A 29 1.553 11.368 -2.611 1.00 74.42 C ATOM 446 CD GLN A 29 1.116 12.822 -2.390 1.00 25.03 C ATOM 447 OE1 GLN A 29 -0.054 13.150 -2.556 1.00 42.43 O ATOM 448 NE2 GLN A 29 2.045 13.716 -2.067 1.00 12.31 N ATOM 0 H GLN A 29 4.071 9.661 0.022 1.00 2.41 H new ATOM 0 HA GLN A 29 2.130 11.830 0.158 1.00 15.34 H new ATOM 0 HB2 GLN A 29 3.552 11.540 -1.814 1.00 1.24 H new ATOM 0 HB3 GLN A 29 3.006 9.887 -2.015 1.00 1.24 H new ATOM 0 HG2 GLN A 29 1.871 11.254 -3.647 1.00 74.42 H new ATOM 0 HG3 GLN A 29 0.689 10.719 -2.469 1.00 74.42 H new ATOM 0 HE21 GLN A 29 3.012 13.421 -1.934 1.00 12.31 H new ATOM 0 HE22 GLN A 29 1.791 14.697 -1.952 1.00 12.31 H new ATOM 457 N THR A 30 0.091 10.501 0.703 1.00 10.41 N ATOM 458 CA THR A 30 -1.150 9.791 1.015 1.00 54.52 C ATOM 459 C THR A 30 -2.288 10.295 0.107 1.00 40.22 C ATOM 460 O THR A 30 -2.442 11.513 -0.087 1.00 2.34 O ATOM 461 CB THR A 30 -1.515 9.959 2.524 1.00 30.44 C ATOM 462 OG1 THR A 30 -1.567 11.350 2.877 1.00 12.24 O ATOM 463 CG2 THR A 30 -0.512 9.236 3.449 1.00 72.25 C ATOM 0 H THR A 30 0.112 11.462 1.045 1.00 10.41 H new ATOM 0 HA THR A 30 -1.006 8.727 0.826 1.00 54.52 H new ATOM 0 HB THR A 30 -2.496 9.504 2.665 1.00 30.44 H new ATOM 0 HG1 THR A 30 -1.951 11.446 3.774 1.00 12.24 H new ATOM 0 HG21 THR A 30 -0.806 9.381 4.489 1.00 72.25 H new ATOM 0 HG22 THR A 30 -0.507 8.171 3.218 1.00 72.25 H new ATOM 0 HG23 THR A 30 0.486 9.646 3.294 1.00 72.25 H new ATOM 471 N SER A 31 -3.063 9.351 -0.451 1.00 23.25 N ATOM 472 CA SER A 31 -4.166 9.652 -1.378 1.00 43.14 C ATOM 473 C SER A 31 -5.249 8.567 -1.289 1.00 30.30 C ATOM 474 O SER A 31 -5.001 7.452 -0.799 1.00 43.00 O ATOM 475 CB SER A 31 -3.635 9.773 -2.829 1.00 50.22 C ATOM 476 OG SER A 31 -4.670 10.069 -3.761 1.00 33.15 O ATOM 0 H SER A 31 -2.942 8.354 -0.271 1.00 23.25 H new ATOM 0 HA SER A 31 -4.609 10.606 -1.093 1.00 43.14 H new ATOM 0 HB2 SER A 31 -2.876 10.555 -2.872 1.00 50.22 H new ATOM 0 HB3 SER A 31 -3.148 8.840 -3.114 1.00 50.22 H new ATOM 0 HG SER A 31 -4.289 10.138 -4.661 1.00 33.15 H new ATOM 482 N ASN A 32 -6.450 8.918 -1.768 1.00 55.35 N ATOM 483 CA ASN A 32 -7.619 8.028 -1.809 1.00 10.01 C ATOM 484 C ASN A 32 -7.830 7.537 -3.244 1.00 2.30 C ATOM 485 O ASN A 32 -8.270 6.400 -3.469 1.00 63.20 O ATOM 486 CB ASN A 32 -8.874 8.776 -1.285 1.00 4.13 C ATOM 487 CG ASN A 32 -10.125 7.893 -1.185 1.00 50.41 C ATOM 488 OD1 ASN A 32 -10.962 7.866 -2.091 1.00 31.11 O ATOM 489 ND2 ASN A 32 -10.238 7.134 -0.103 1.00 21.55 N ATOM 0 H ASN A 32 -6.640 9.846 -2.145 1.00 55.35 H new ATOM 0 HA ASN A 32 -7.449 7.165 -1.166 1.00 10.01 H new ATOM 0 HB2 ASN A 32 -8.654 9.191 -0.301 1.00 4.13 H new ATOM 0 HB3 ASN A 32 -9.086 9.617 -1.945 1.00 4.13 H new ATOM 0 HD21 ASN A 32 -11.034 6.505 -0.002 1.00 21.55 H new ATOM 0 HD22 ASN A 32 -9.529 7.180 0.628 1.00 21.55 H new ATOM 496 N ASP A 33 -7.483 8.406 -4.214 1.00 23.23 N ATOM 497 CA ASP A 33 -7.640 8.119 -5.644 1.00 71.13 C ATOM 498 C ASP A 33 -6.491 7.218 -6.128 1.00 70.11 C ATOM 499 O ASP A 33 -5.349 7.672 -6.297 1.00 22.12 O ATOM 500 CB ASP A 33 -7.704 9.429 -6.473 1.00 20.14 C ATOM 501 CG ASP A 33 -7.901 9.183 -7.986 1.00 24.12 C ATOM 502 OD1 ASP A 33 -7.066 9.629 -8.800 1.00 60.41 O ATOM 503 OD2 ASP A 33 -8.898 8.533 -8.365 1.00 74.33 O ATOM 0 H ASP A 33 -7.086 9.326 -4.022 1.00 23.23 H new ATOM 0 HA ASP A 33 -8.583 7.592 -5.790 1.00 71.13 H new ATOM 0 HB2 ASP A 33 -8.522 10.046 -6.102 1.00 20.14 H new ATOM 0 HB3 ASP A 33 -6.784 9.994 -6.320 1.00 20.14 H new ATOM 508 N LYS A 34 -6.822 5.935 -6.328 1.00 23.02 N ATOM 509 CA LYS A 34 -5.878 4.901 -6.787 1.00 13.22 C ATOM 510 C LYS A 34 -5.373 5.189 -8.208 1.00 54.30 C ATOM 511 O LYS A 34 -4.251 4.829 -8.550 1.00 60.05 O ATOM 512 CB LYS A 34 -6.577 3.516 -6.720 1.00 72.42 C ATOM 513 CG LYS A 34 -7.718 3.325 -7.750 1.00 23.21 C ATOM 514 CD LYS A 34 -8.788 2.308 -7.303 1.00 61.14 C ATOM 515 CE LYS A 34 -9.584 2.784 -6.074 1.00 53.20 C ATOM 516 NZ LYS A 34 -10.682 1.843 -5.718 1.00 73.00 N ATOM 0 H LYS A 34 -7.765 5.579 -6.174 1.00 23.02 H new ATOM 0 HA LYS A 34 -5.006 4.904 -6.133 1.00 13.22 H new ATOM 0 HB2 LYS A 34 -5.830 2.738 -6.875 1.00 72.42 H new ATOM 0 HB3 LYS A 34 -6.981 3.375 -5.718 1.00 72.42 H new ATOM 0 HG2 LYS A 34 -8.197 4.287 -7.932 1.00 23.21 H new ATOM 0 HG3 LYS A 34 -7.290 2.997 -8.697 1.00 23.21 H new ATOM 0 HD2 LYS A 34 -9.476 2.125 -8.128 1.00 61.14 H new ATOM 0 HD3 LYS A 34 -8.306 1.358 -7.073 1.00 61.14 H new ATOM 0 HE2 LYS A 34 -8.909 2.891 -5.225 1.00 53.20 H new ATOM 0 HE3 LYS A 34 -10.003 3.770 -6.274 1.00 53.20 H new ATOM 0 HZ1 LYS A 34 -10.978 2.011 -4.735 1.00 73.00 H new ATOM 0 HZ2 LYS A 34 -11.490 1.996 -6.354 1.00 73.00 H new ATOM 0 HZ3 LYS A 34 -10.345 0.864 -5.816 1.00 73.00 H new ATOM 530 N LYS A 35 -6.211 5.881 -8.997 1.00 24.23 N ATOM 531 CA LYS A 35 -5.965 6.140 -10.423 1.00 22.23 C ATOM 532 C LYS A 35 -4.787 7.111 -10.609 1.00 32.01 C ATOM 533 O LYS A 35 -3.983 6.955 -11.539 1.00 14.31 O ATOM 534 CB LYS A 35 -7.256 6.701 -11.064 1.00 1.21 C ATOM 535 CG LYS A 35 -8.505 5.818 -10.820 1.00 63.24 C ATOM 536 CD LYS A 35 -9.787 6.379 -11.481 1.00 34.24 C ATOM 537 CE LYS A 35 -9.676 6.457 -13.010 1.00 63.31 C ATOM 538 NZ LYS A 35 -10.941 6.918 -13.642 1.00 2.30 N ATOM 0 H LYS A 35 -7.087 6.280 -8.658 1.00 24.23 H new ATOM 0 HA LYS A 35 -5.696 5.207 -10.919 1.00 22.23 H new ATOM 0 HB2 LYS A 35 -7.444 7.699 -10.668 1.00 1.21 H new ATOM 0 HB3 LYS A 35 -7.101 6.808 -12.138 1.00 1.21 H new ATOM 0 HG2 LYS A 35 -8.314 4.816 -11.205 1.00 63.24 H new ATOM 0 HG3 LYS A 35 -8.670 5.722 -9.747 1.00 63.24 H new ATOM 0 HD2 LYS A 35 -10.635 5.749 -11.214 1.00 34.24 H new ATOM 0 HD3 LYS A 35 -9.991 7.373 -11.084 1.00 34.24 H new ATOM 0 HE2 LYS A 35 -8.868 7.137 -13.280 1.00 63.31 H new ATOM 0 HE3 LYS A 35 -9.411 5.476 -13.404 1.00 63.31 H new ATOM 0 HZ1 LYS A 35 -10.820 6.956 -14.674 1.00 2.30 H new ATOM 0 HZ2 LYS A 35 -11.708 6.256 -13.407 1.00 2.30 H new ATOM 0 HZ3 LYS A 35 -11.181 7.866 -13.287 1.00 2.30 H new ATOM 552 N GLU A 36 -4.700 8.102 -9.698 1.00 64.33 N ATOM 553 CA GLU A 36 -3.567 9.039 -9.628 1.00 41.11 C ATOM 554 C GLU A 36 -2.282 8.268 -9.318 1.00 54.13 C ATOM 555 O GLU A 36 -1.271 8.430 -9.992 1.00 12.12 O ATOM 556 CB GLU A 36 -3.787 10.101 -8.513 1.00 43.45 C ATOM 557 CG GLU A 36 -2.642 11.142 -8.398 1.00 33.05 C ATOM 558 CD GLU A 36 -2.616 11.882 -7.057 1.00 12.52 C ATOM 559 OE1 GLU A 36 -2.105 11.308 -6.071 1.00 4.31 O ATOM 560 OE2 GLU A 36 -3.107 13.033 -6.973 1.00 14.35 O ATOM 0 H GLU A 36 -5.415 8.273 -8.991 1.00 64.33 H new ATOM 0 HA GLU A 36 -3.488 9.544 -10.591 1.00 41.11 H new ATOM 0 HB2 GLU A 36 -4.723 10.625 -8.705 1.00 43.45 H new ATOM 0 HB3 GLU A 36 -3.898 9.591 -7.556 1.00 43.45 H new ATOM 0 HG2 GLU A 36 -1.687 10.636 -8.543 1.00 33.05 H new ATOM 0 HG3 GLU A 36 -2.742 11.870 -9.203 1.00 33.05 H new ATOM 567 N ILE A 37 -2.373 7.402 -8.301 1.00 72.23 N ATOM 568 CA ILE A 37 -1.228 6.665 -7.749 1.00 43.25 C ATOM 569 C ILE A 37 -0.628 5.699 -8.795 1.00 21.53 C ATOM 570 O ILE A 37 0.595 5.544 -8.869 1.00 23.12 O ATOM 571 CB ILE A 37 -1.653 5.916 -6.435 1.00 72.51 C ATOM 572 CG1 ILE A 37 -2.210 6.931 -5.382 1.00 12.05 C ATOM 573 CG2 ILE A 37 -0.494 5.099 -5.839 1.00 45.25 C ATOM 574 CD1 ILE A 37 -1.250 8.054 -4.997 1.00 55.41 C ATOM 0 H ILE A 37 -3.254 7.191 -7.832 1.00 72.23 H new ATOM 0 HA ILE A 37 -0.444 7.377 -7.492 1.00 43.25 H new ATOM 0 HB ILE A 37 -2.443 5.213 -6.700 1.00 72.51 H new ATOM 0 HG12 ILE A 37 -3.125 7.374 -5.776 1.00 12.05 H new ATOM 0 HG13 ILE A 37 -2.484 6.383 -4.481 1.00 12.05 H new ATOM 0 HG21 ILE A 37 -0.831 4.597 -4.932 1.00 45.25 H new ATOM 0 HG22 ILE A 37 -0.163 4.355 -6.564 1.00 45.25 H new ATOM 0 HG23 ILE A 37 0.335 5.765 -5.599 1.00 45.25 H new ATOM 0 HD11 ILE A 37 -1.726 8.704 -4.263 1.00 55.41 H new ATOM 0 HD12 ILE A 37 -0.343 7.627 -4.569 1.00 55.41 H new ATOM 0 HD13 ILE A 37 -0.994 8.634 -5.884 1.00 55.41 H new ATOM 586 N ILE A 38 -1.506 5.095 -9.620 1.00 51.41 N ATOM 587 CA ILE A 38 -1.110 4.266 -10.783 1.00 14.43 C ATOM 588 C ILE A 38 -0.264 5.095 -11.766 1.00 1.44 C ATOM 589 O ILE A 38 0.778 4.637 -12.255 1.00 15.23 O ATOM 590 CB ILE A 38 -2.380 3.695 -11.527 1.00 53.43 C ATOM 591 CG1 ILE A 38 -3.145 2.687 -10.618 1.00 15.43 C ATOM 592 CG2 ILE A 38 -2.012 3.048 -12.884 1.00 64.31 C ATOM 593 CD1 ILE A 38 -4.465 2.183 -11.180 1.00 31.15 C ATOM 0 H ILE A 38 -2.516 5.167 -9.500 1.00 51.41 H new ATOM 0 HA ILE A 38 -0.517 3.429 -10.414 1.00 14.43 H new ATOM 0 HB ILE A 38 -3.039 4.536 -11.740 1.00 53.43 H new ATOM 0 HG12 ILE A 38 -2.498 1.830 -10.428 1.00 15.43 H new ATOM 0 HG13 ILE A 38 -3.336 3.162 -9.656 1.00 15.43 H new ATOM 0 HG21 ILE A 38 -2.915 2.668 -13.363 1.00 64.31 H new ATOM 0 HG22 ILE A 38 -1.546 3.794 -13.528 1.00 64.31 H new ATOM 0 HG23 ILE A 38 -1.316 2.226 -12.718 1.00 64.31 H new ATOM 0 HD11 ILE A 38 -4.919 1.488 -10.474 1.00 31.15 H new ATOM 0 HD12 ILE A 38 -5.137 3.026 -11.343 1.00 31.15 H new ATOM 0 HD13 ILE A 38 -4.286 1.673 -12.127 1.00 31.15 H new ATOM 605 N ASP A 39 -0.729 6.326 -12.023 1.00 11.05 N ATOM 606 CA ASP A 39 -0.075 7.267 -12.951 1.00 21.12 C ATOM 607 C ASP A 39 1.310 7.689 -12.418 1.00 33.10 C ATOM 608 O ASP A 39 2.242 7.884 -13.192 1.00 52.22 O ATOM 609 CB ASP A 39 -0.985 8.502 -13.190 1.00 71.12 C ATOM 610 CG ASP A 39 -0.420 9.469 -14.243 1.00 71.41 C ATOM 611 OD1 ASP A 39 0.225 10.474 -13.870 1.00 64.23 O ATOM 612 OD2 ASP A 39 -0.591 9.209 -15.450 1.00 72.15 O ATOM 0 H ASP A 39 -1.574 6.701 -11.592 1.00 11.05 H new ATOM 0 HA ASP A 39 0.079 6.765 -13.907 1.00 21.12 H new ATOM 0 HB2 ASP A 39 -1.971 8.164 -13.507 1.00 71.12 H new ATOM 0 HB3 ASP A 39 -1.119 9.036 -12.249 1.00 71.12 H new ATOM 617 N ARG A 40 1.438 7.787 -11.087 1.00 12.14 N ATOM 618 CA ARG A 40 2.703 8.156 -10.417 1.00 11.45 C ATOM 619 C ARG A 40 3.710 6.978 -10.448 1.00 34.02 C ATOM 620 O ARG A 40 4.932 7.191 -10.442 1.00 71.14 O ATOM 621 CB ARG A 40 2.403 8.622 -8.969 1.00 52.02 C ATOM 622 CG ARG A 40 1.361 9.759 -8.895 1.00 60.45 C ATOM 623 CD ARG A 40 1.015 10.190 -7.459 1.00 14.43 C ATOM 624 NE ARG A 40 2.156 10.825 -6.780 1.00 54.01 N ATOM 625 CZ ARG A 40 2.111 11.971 -6.082 1.00 2.40 C ATOM 626 NH1 ARG A 40 0.970 12.649 -5.936 1.00 53.33 N ATOM 627 NH2 ARG A 40 3.221 12.420 -5.517 1.00 42.44 N ATOM 0 H ARG A 40 0.669 7.613 -10.440 1.00 12.14 H new ATOM 0 HA ARG A 40 3.169 8.982 -10.954 1.00 11.45 H new ATOM 0 HB2 ARG A 40 2.044 7.772 -8.388 1.00 52.02 H new ATOM 0 HB3 ARG A 40 3.330 8.958 -8.504 1.00 52.02 H new ATOM 0 HG2 ARG A 40 1.739 10.622 -9.443 1.00 60.45 H new ATOM 0 HG3 ARG A 40 0.449 9.437 -9.398 1.00 60.45 H new ATOM 0 HD2 ARG A 40 0.175 10.885 -7.482 1.00 14.43 H new ATOM 0 HD3 ARG A 40 0.693 9.319 -6.888 1.00 14.43 H new ATOM 0 HE ARG A 40 3.058 10.354 -6.845 1.00 54.01 H new ATOM 0 HH11 ARG A 40 0.111 12.298 -6.359 1.00 53.33 H new ATOM 0 HH12 ARG A 40 0.958 13.518 -5.402 1.00 53.33 H new ATOM 0 HH21 ARG A 40 4.091 11.897 -5.616 1.00 42.44 H new ATOM 0 HH22 ARG A 40 3.206 13.289 -4.983 1.00 42.44 H new ATOM 641 N LEU A 41 3.169 5.742 -10.479 1.00 64.42 N ATOM 642 CA LEU A 41 3.959 4.507 -10.713 1.00 33.44 C ATOM 643 C LEU A 41 4.480 4.468 -12.168 1.00 32.41 C ATOM 644 O LEU A 41 5.591 3.988 -12.424 1.00 52.31 O ATOM 645 CB LEU A 41 3.086 3.250 -10.413 1.00 13.24 C ATOM 646 CG LEU A 41 2.651 3.056 -8.924 1.00 0.33 C ATOM 647 CD1 LEU A 41 1.551 1.978 -8.782 1.00 13.25 C ATOM 648 CD2 LEU A 41 3.870 2.732 -8.038 1.00 53.41 C ATOM 0 H LEU A 41 2.173 5.568 -10.343 1.00 64.42 H new ATOM 0 HA LEU A 41 4.817 4.506 -10.041 1.00 33.44 H new ATOM 0 HB2 LEU A 41 2.188 3.300 -11.029 1.00 13.24 H new ATOM 0 HB3 LEU A 41 3.639 2.365 -10.727 1.00 13.24 H new ATOM 0 HG LEU A 41 2.221 3.997 -8.581 1.00 0.33 H new ATOM 0 HD11 LEU A 41 1.277 1.874 -7.732 1.00 13.25 H new ATOM 0 HD12 LEU A 41 0.674 2.274 -9.358 1.00 13.25 H new ATOM 0 HD13 LEU A 41 1.925 1.025 -9.156 1.00 13.25 H new ATOM 0 HD21 LEU A 41 3.545 2.601 -7.006 1.00 53.41 H new ATOM 0 HD22 LEU A 41 4.342 1.814 -8.389 1.00 53.41 H new ATOM 0 HD23 LEU A 41 4.587 3.552 -8.091 1.00 53.41 H new ATOM 660 N LYS A 42 3.661 4.997 -13.100 1.00 63.14 N ATOM 661 CA LYS A 42 4.009 5.111 -14.539 1.00 14.00 C ATOM 662 C LYS A 42 5.163 6.108 -14.769 1.00 45.02 C ATOM 663 O LYS A 42 5.968 5.927 -15.689 1.00 33.15 O ATOM 664 CB LYS A 42 2.767 5.551 -15.355 1.00 64.51 C ATOM 665 CG LYS A 42 1.628 4.513 -15.410 1.00 25.24 C ATOM 666 CD LYS A 42 0.351 5.063 -16.089 1.00 54.22 C ATOM 667 CE LYS A 42 0.592 5.568 -17.522 1.00 60.41 C ATOM 668 NZ LYS A 42 1.102 4.491 -18.415 1.00 11.42 N ATOM 0 H LYS A 42 2.734 5.360 -12.879 1.00 63.14 H new ATOM 0 HA LYS A 42 4.340 4.129 -14.877 1.00 14.00 H new ATOM 0 HB2 LYS A 42 2.377 6.475 -14.927 1.00 64.51 H new ATOM 0 HB3 LYS A 42 3.081 5.779 -16.374 1.00 64.51 H new ATOM 0 HG2 LYS A 42 1.971 3.631 -15.951 1.00 25.24 H new ATOM 0 HG3 LYS A 42 1.386 4.191 -14.397 1.00 25.24 H new ATOM 0 HD2 LYS A 42 -0.407 4.280 -16.110 1.00 54.22 H new ATOM 0 HD3 LYS A 42 -0.050 5.878 -15.487 1.00 54.22 H new ATOM 0 HE2 LYS A 42 -0.339 5.965 -17.928 1.00 60.41 H new ATOM 0 HE3 LYS A 42 1.307 6.390 -17.501 1.00 60.41 H new ATOM 0 HZ1 LYS A 42 1.219 4.865 -19.378 1.00 11.42 H new ATOM 0 HZ2 LYS A 42 2.020 4.152 -18.062 1.00 11.42 H new ATOM 0 HZ3 LYS A 42 0.424 3.702 -18.430 1.00 11.42 H new ATOM 682 N ARG A 43 5.217 7.161 -13.928 1.00 24.43 N ATOM 683 CA ARG A 43 6.314 8.161 -13.950 1.00 61.21 C ATOM 684 C ARG A 43 7.631 7.552 -13.415 1.00 33.41 C ATOM 685 O ARG A 43 8.701 8.131 -13.623 1.00 24.00 O ATOM 686 CB ARG A 43 5.945 9.405 -13.080 1.00 34.34 C ATOM 687 CG ARG A 43 4.564 10.022 -13.390 1.00 54.35 C ATOM 688 CD ARG A 43 4.158 11.118 -12.386 1.00 32.31 C ATOM 689 NE ARG A 43 2.728 11.462 -12.491 1.00 13.33 N ATOM 690 CZ ARG A 43 2.059 12.270 -11.651 1.00 25.11 C ATOM 691 NH1 ARG A 43 2.677 12.846 -10.622 1.00 74.10 N ATOM 692 NH2 ARG A 43 0.760 12.469 -11.827 1.00 35.33 N ATOM 0 H ARG A 43 4.509 7.345 -13.218 1.00 24.43 H new ATOM 0 HA ARG A 43 6.454 8.467 -14.987 1.00 61.21 H new ATOM 0 HB2 ARG A 43 5.972 9.117 -12.029 1.00 34.34 H new ATOM 0 HB3 ARG A 43 6.709 10.169 -13.221 1.00 34.34 H new ATOM 0 HG2 ARG A 43 4.577 10.444 -14.395 1.00 54.35 H new ATOM 0 HG3 ARG A 43 3.810 9.234 -13.385 1.00 54.35 H new ATOM 0 HD2 ARG A 43 4.376 10.780 -11.373 1.00 32.31 H new ATOM 0 HD3 ARG A 43 4.759 12.010 -12.561 1.00 32.31 H new ATOM 0 HE ARG A 43 2.204 11.053 -13.265 1.00 13.33 H new ATOM 0 HH11 ARG A 43 3.670 12.676 -10.464 1.00 74.10 H new ATOM 0 HH12 ARG A 43 2.157 13.457 -9.992 1.00 74.10 H new ATOM 0 HH21 ARG A 43 0.273 12.010 -12.597 1.00 35.33 H new ATOM 0 HH22 ARG A 43 0.247 13.081 -11.192 1.00 35.33 H new ATOM 706 N ARG A 44 7.512 6.386 -12.722 1.00 43.42 N ATOM 707 CA ARG A 44 8.605 5.742 -11.947 1.00 14.13 C ATOM 708 C ARG A 44 9.003 6.617 -10.737 1.00 20.13 C ATOM 709 O ARG A 44 10.099 6.466 -10.180 1.00 4.04 O ATOM 710 CB ARG A 44 9.854 5.391 -12.852 1.00 21.21 C ATOM 711 CG ARG A 44 10.081 3.883 -13.105 1.00 13.11 C ATOM 712 CD ARG A 44 10.169 3.063 -11.800 1.00 31.11 C ATOM 713 NE ARG A 44 11.145 3.604 -10.831 1.00 55.12 N ATOM 714 CZ ARG A 44 11.548 2.980 -9.705 1.00 42.13 C ATOM 715 NH1 ARG A 44 11.084 1.769 -9.384 1.00 41.34 N ATOM 716 NH2 ARG A 44 12.397 3.589 -8.889 1.00 2.12 N ATOM 0 H ARG A 44 6.639 5.860 -12.687 1.00 43.42 H new ATOM 0 HA ARG A 44 8.224 4.793 -11.568 1.00 14.13 H new ATOM 0 HB2 ARG A 44 9.738 5.891 -13.814 1.00 21.21 H new ATOM 0 HB3 ARG A 44 10.748 5.803 -12.385 1.00 21.21 H new ATOM 0 HG2 ARG A 44 9.267 3.496 -13.718 1.00 13.11 H new ATOM 0 HG3 ARG A 44 11.000 3.749 -13.675 1.00 13.11 H new ATOM 0 HD2 ARG A 44 9.185 3.031 -11.333 1.00 31.11 H new ATOM 0 HD3 ARG A 44 10.441 2.036 -12.043 1.00 31.11 H new ATOM 0 HE ARG A 44 11.545 4.521 -11.029 1.00 55.12 H new ATOM 0 HH11 ARG A 44 10.414 1.301 -9.994 1.00 41.34 H new ATOM 0 HH12 ARG A 44 11.400 1.312 -8.528 1.00 41.34 H new ATOM 0 HH21 ARG A 44 12.741 4.523 -9.115 1.00 2.12 H new ATOM 0 HH22 ARG A 44 12.707 3.124 -8.036 1.00 2.12 H new ATOM 730 N ASN A 45 8.070 7.486 -10.315 1.00 12.41 N ATOM 731 CA ASN A 45 8.314 8.501 -9.281 1.00 4.12 C ATOM 732 C ASN A 45 8.270 7.877 -7.877 1.00 14.50 C ATOM 733 O ASN A 45 8.863 8.408 -6.935 1.00 21.53 O ATOM 734 CB ASN A 45 7.266 9.636 -9.414 1.00 33.10 C ATOM 735 CG ASN A 45 7.608 10.881 -8.596 1.00 40.44 C ATOM 736 OD1 ASN A 45 7.220 11.014 -7.431 1.00 45.25 O ATOM 737 ND2 ASN A 45 8.344 11.798 -9.203 1.00 35.32 N ATOM 0 H ASN A 45 7.120 7.503 -10.685 1.00 12.41 H new ATOM 0 HA ASN A 45 9.311 8.919 -9.423 1.00 4.12 H new ATOM 0 HB2 ASN A 45 7.175 9.915 -10.464 1.00 33.10 H new ATOM 0 HB3 ASN A 45 6.293 9.260 -9.099 1.00 33.10 H new ATOM 0 HD21 ASN A 45 8.609 12.649 -8.707 1.00 35.32 H new ATOM 0 HD22 ASN A 45 8.646 11.654 -10.166 1.00 35.32 H new ATOM 744 N ILE A 46 7.593 6.724 -7.765 1.00 34.11 N ATOM 745 CA ILE A 46 7.382 6.026 -6.488 1.00 21.23 C ATOM 746 C ILE A 46 8.432 4.909 -6.333 1.00 22.20 C ATOM 747 O ILE A 46 8.565 4.058 -7.224 1.00 23.45 O ATOM 748 CB ILE A 46 5.934 5.412 -6.411 1.00 75.52 C ATOM 749 CG1 ILE A 46 4.858 6.513 -6.699 1.00 71.22 C ATOM 750 CG2 ILE A 46 5.693 4.737 -5.040 1.00 42.22 C ATOM 751 CD1 ILE A 46 3.406 6.052 -6.608 1.00 71.24 C ATOM 0 H ILE A 46 7.174 6.247 -8.563 1.00 34.11 H new ATOM 0 HA ILE A 46 7.489 6.747 -5.678 1.00 21.23 H new ATOM 0 HB ILE A 46 5.844 4.642 -7.177 1.00 75.52 H new ATOM 0 HG12 ILE A 46 5.005 7.333 -5.996 1.00 71.22 H new ATOM 0 HG13 ILE A 46 5.032 6.914 -7.698 1.00 71.22 H new ATOM 0 HG21 ILE A 46 4.686 4.321 -5.011 1.00 42.22 H new ATOM 0 HG22 ILE A 46 6.420 3.938 -4.895 1.00 42.22 H new ATOM 0 HG23 ILE A 46 5.803 5.476 -4.246 1.00 42.22 H new ATOM 0 HD11 ILE A 46 2.744 6.890 -6.825 1.00 71.24 H new ATOM 0 HD12 ILE A 46 3.231 5.255 -7.331 1.00 71.24 H new ATOM 0 HD13 ILE A 46 3.204 5.681 -5.603 1.00 71.24 H new ATOM 763 N ASP A 47 9.175 4.918 -5.208 1.00 45.21 N ATOM 764 CA ASP A 47 10.194 3.889 -4.922 1.00 45.15 C ATOM 765 C ASP A 47 9.573 2.718 -4.158 1.00 63.11 C ATOM 766 O ASP A 47 9.885 1.549 -4.415 1.00 72.42 O ATOM 767 CB ASP A 47 11.362 4.492 -4.108 1.00 74.14 C ATOM 768 CG ASP A 47 12.425 3.441 -3.730 1.00 24.04 C ATOM 769 OD1 ASP A 47 12.503 3.035 -2.547 1.00 21.32 O ATOM 770 OD2 ASP A 47 13.171 2.989 -4.628 1.00 24.23 O ATOM 0 H ASP A 47 9.088 5.628 -4.481 1.00 45.21 H new ATOM 0 HA ASP A 47 10.583 3.522 -5.872 1.00 45.15 H new ATOM 0 HB2 ASP A 47 11.832 5.287 -4.688 1.00 74.14 H new ATOM 0 HB3 ASP A 47 10.969 4.949 -3.200 1.00 74.14 H new ATOM 775 N MET A 48 8.710 3.052 -3.197 1.00 74.12 N ATOM 776 CA MET A 48 8.021 2.072 -2.363 1.00 54.52 C ATOM 777 C MET A 48 6.615 2.590 -2.043 1.00 55.00 C ATOM 778 O MET A 48 6.421 3.784 -1.792 1.00 23.51 O ATOM 779 CB MET A 48 8.848 1.757 -1.081 1.00 51.24 C ATOM 780 CG MET A 48 9.173 2.968 -0.192 1.00 51.43 C ATOM 781 SD MET A 48 10.382 2.597 1.108 1.00 62.52 S ATOM 782 CE MET A 48 9.610 1.231 1.977 1.00 34.15 C ATOM 0 H MET A 48 8.469 4.018 -2.976 1.00 74.12 H new ATOM 0 HA MET A 48 7.921 1.129 -2.901 1.00 54.52 H new ATOM 0 HB2 MET A 48 8.299 1.027 -0.485 1.00 51.24 H new ATOM 0 HB3 MET A 48 9.784 1.285 -1.380 1.00 51.24 H new ATOM 0 HG2 MET A 48 9.556 3.776 -0.816 1.00 51.43 H new ATOM 0 HG3 MET A 48 8.254 3.330 0.268 1.00 51.43 H new ATOM 0 HE1 MET A 48 9.896 1.260 3.028 1.00 34.15 H new ATOM 0 HE2 MET A 48 8.526 1.313 1.894 1.00 34.15 H new ATOM 0 HE3 MET A 48 9.938 0.289 1.538 1.00 34.15 H new ATOM 792 N ILE A 49 5.637 1.685 -2.088 1.00 41.45 N ATOM 793 CA ILE A 49 4.214 2.021 -1.993 1.00 24.13 C ATOM 794 C ILE A 49 3.502 1.000 -1.099 1.00 32.13 C ATOM 795 O ILE A 49 3.909 -0.157 -1.029 1.00 3.33 O ATOM 796 CB ILE A 49 3.559 2.069 -3.430 1.00 32.11 C ATOM 797 CG1 ILE A 49 2.030 2.382 -3.365 1.00 70.31 C ATOM 798 CG2 ILE A 49 3.833 0.766 -4.220 1.00 75.01 C ATOM 799 CD1 ILE A 49 1.344 2.432 -4.716 1.00 44.54 C ATOM 0 H ILE A 49 5.812 0.686 -2.193 1.00 41.45 H new ATOM 0 HA ILE A 49 4.109 3.010 -1.546 1.00 24.13 H new ATOM 0 HB ILE A 49 4.032 2.890 -3.969 1.00 32.11 H new ATOM 0 HG12 ILE A 49 1.542 1.625 -2.751 1.00 70.31 H new ATOM 0 HG13 ILE A 49 1.888 3.339 -2.863 1.00 70.31 H new ATOM 0 HG21 ILE A 49 3.368 0.832 -5.204 1.00 75.01 H new ATOM 0 HG22 ILE A 49 4.908 0.629 -4.335 1.00 75.01 H new ATOM 0 HG23 ILE A 49 3.415 -0.083 -3.678 1.00 75.01 H new ATOM 0 HD11 ILE A 49 0.286 2.655 -4.579 1.00 44.54 H new ATOM 0 HD12 ILE A 49 1.802 3.209 -5.328 1.00 44.54 H new ATOM 0 HD13 ILE A 49 1.450 1.468 -5.214 1.00 44.54 H new ATOM 811 N ILE A 50 2.470 1.452 -0.370 1.00 4.21 N ATOM 812 CA ILE A 50 1.666 0.604 0.523 1.00 63.13 C ATOM 813 C ILE A 50 0.181 0.891 0.255 1.00 23.44 C ATOM 814 O ILE A 50 -0.257 2.028 0.395 1.00 73.40 O ATOM 815 CB ILE A 50 2.019 0.880 2.035 1.00 32.31 C ATOM 816 CG1 ILE A 50 3.557 0.726 2.281 1.00 61.34 C ATOM 817 CG2 ILE A 50 1.200 -0.042 2.973 1.00 63.42 C ATOM 818 CD1 ILE A 50 4.037 1.105 3.668 1.00 11.44 C ATOM 0 H ILE A 50 2.167 2.426 -0.384 1.00 4.21 H new ATOM 0 HA ILE A 50 1.885 -0.445 0.325 1.00 63.13 H new ATOM 0 HB ILE A 50 1.746 1.909 2.268 1.00 32.31 H new ATOM 0 HG12 ILE A 50 3.836 -0.310 2.089 1.00 61.34 H new ATOM 0 HG13 ILE A 50 4.087 1.339 1.552 1.00 61.34 H new ATOM 0 HG21 ILE A 50 1.462 0.168 4.010 1.00 63.42 H new ATOM 0 HG22 ILE A 50 0.136 0.140 2.824 1.00 63.42 H new ATOM 0 HG23 ILE A 50 1.425 -1.084 2.746 1.00 63.42 H new ATOM 0 HD11 ILE A 50 5.116 0.961 3.732 1.00 11.44 H new ATOM 0 HD12 ILE A 50 3.798 2.150 3.863 1.00 11.44 H new ATOM 0 HD13 ILE A 50 3.543 0.476 4.408 1.00 11.44 H new ATOM 830 N VAL A 51 -0.575 -0.139 -0.158 1.00 4.34 N ATOM 831 CA VAL A 51 -1.993 -0.009 -0.541 1.00 51.23 C ATOM 832 C VAL A 51 -2.874 -0.800 0.434 1.00 2.25 C ATOM 833 O VAL A 51 -2.674 -2.004 0.611 1.00 14.33 O ATOM 834 CB VAL A 51 -2.235 -0.531 -2.009 1.00 51.34 C ATOM 835 CG1 VAL A 51 -3.714 -0.384 -2.443 1.00 23.23 C ATOM 836 CG2 VAL A 51 -1.295 0.184 -2.998 1.00 75.33 C ATOM 0 H VAL A 51 -0.219 -1.092 -0.237 1.00 4.34 H new ATOM 0 HA VAL A 51 -2.257 1.048 -0.501 1.00 51.23 H new ATOM 0 HB VAL A 51 -2.006 -1.597 -2.019 1.00 51.34 H new ATOM 0 HG11 VAL A 51 -3.833 -0.756 -3.461 1.00 23.23 H new ATOM 0 HG12 VAL A 51 -4.350 -0.959 -1.769 1.00 23.23 H new ATOM 0 HG13 VAL A 51 -4.002 0.667 -2.405 1.00 23.23 H new ATOM 0 HG21 VAL A 51 -1.476 -0.189 -4.006 1.00 75.33 H new ATOM 0 HG22 VAL A 51 -1.484 1.257 -2.969 1.00 75.33 H new ATOM 0 HG23 VAL A 51 -0.259 -0.010 -2.720 1.00 75.33 H new ATOM 846 N LYS A 52 -3.840 -0.106 1.056 1.00 21.20 N ATOM 847 CA LYS A 52 -4.857 -0.714 1.923 1.00 44.42 C ATOM 848 C LYS A 52 -6.242 -0.569 1.266 1.00 22.24 C ATOM 849 O LYS A 52 -6.768 0.542 1.158 1.00 14.14 O ATOM 850 CB LYS A 52 -4.837 -0.058 3.336 1.00 51.25 C ATOM 851 CG LYS A 52 -6.032 -0.420 4.263 1.00 74.54 C ATOM 852 CD LYS A 52 -6.179 -1.931 4.548 1.00 71.55 C ATOM 853 CE LYS A 52 -7.395 -2.241 5.437 1.00 71.15 C ATOM 854 NZ LYS A 52 -8.666 -1.733 4.850 1.00 34.32 N ATOM 0 H LYS A 52 -3.936 0.906 0.969 1.00 21.20 H new ATOM 0 HA LYS A 52 -4.636 -1.774 2.049 1.00 44.42 H new ATOM 0 HB2 LYS A 52 -3.912 -0.345 3.837 1.00 51.25 H new ATOM 0 HB3 LYS A 52 -4.811 1.025 3.214 1.00 51.25 H new ATOM 0 HG2 LYS A 52 -5.915 0.107 5.210 1.00 74.54 H new ATOM 0 HG3 LYS A 52 -6.953 -0.057 3.808 1.00 74.54 H new ATOM 0 HD2 LYS A 52 -6.275 -2.469 3.605 1.00 71.55 H new ATOM 0 HD3 LYS A 52 -5.274 -2.297 5.033 1.00 71.55 H new ATOM 0 HE2 LYS A 52 -7.470 -3.318 5.584 1.00 71.15 H new ATOM 0 HE3 LYS A 52 -7.247 -1.795 6.420 1.00 71.15 H new ATOM 0 HZ1 LYS A 52 -9.473 -2.134 5.369 1.00 34.32 H new ATOM 0 HZ2 LYS A 52 -8.691 -0.696 4.920 1.00 34.32 H new ATOM 0 HZ3 LYS A 52 -8.723 -2.014 3.850 1.00 34.32 H new ATOM 868 N THR A 53 -6.813 -1.698 0.823 1.00 72.05 N ATOM 869 CA THR A 53 -8.171 -1.744 0.258 1.00 0.24 C ATOM 870 C THR A 53 -8.693 -3.188 0.230 1.00 14.23 C ATOM 871 O THR A 53 -7.915 -4.144 0.162 1.00 43.43 O ATOM 872 CB THR A 53 -8.259 -1.101 -1.179 1.00 23.32 C ATOM 873 OG1 THR A 53 -9.580 -1.270 -1.728 1.00 53.31 O ATOM 874 CG2 THR A 53 -7.233 -1.674 -2.163 1.00 62.02 C ATOM 0 H THR A 53 -6.347 -2.605 0.846 1.00 72.05 H new ATOM 0 HA THR A 53 -8.803 -1.143 0.912 1.00 0.24 H new ATOM 0 HB THR A 53 -8.033 -0.043 -1.047 1.00 23.32 H new ATOM 0 HG1 THR A 53 -9.618 -0.864 -2.619 1.00 53.31 H new ATOM 0 HG21 THR A 53 -7.348 -1.189 -3.132 1.00 62.02 H new ATOM 0 HG22 THR A 53 -6.227 -1.495 -1.785 1.00 62.02 H new ATOM 0 HG23 THR A 53 -7.394 -2.746 -2.273 1.00 62.02 H new ATOM 882 N GLU A 54 -10.024 -3.319 0.307 1.00 64.53 N ATOM 883 CA GLU A 54 -10.746 -4.605 0.221 1.00 5.21 C ATOM 884 C GLU A 54 -11.119 -4.915 -1.238 1.00 0.53 C ATOM 885 O GLU A 54 -11.743 -5.941 -1.521 1.00 71.45 O ATOM 886 CB GLU A 54 -12.030 -4.534 1.106 1.00 54.31 C ATOM 887 CG GLU A 54 -11.798 -4.613 2.635 1.00 63.53 C ATOM 888 CD GLU A 54 -10.737 -3.631 3.174 1.00 0.54 C ATOM 889 OE1 GLU A 54 -9.616 -4.077 3.515 1.00 62.04 O ATOM 890 OE2 GLU A 54 -10.997 -2.407 3.227 1.00 13.45 O ATOM 0 H GLU A 54 -10.646 -2.520 0.433 1.00 64.53 H new ATOM 0 HA GLU A 54 -10.101 -5.405 0.584 1.00 5.21 H new ATOM 0 HB2 GLU A 54 -12.551 -3.603 0.884 1.00 54.31 H new ATOM 0 HB3 GLU A 54 -12.694 -5.348 0.816 1.00 54.31 H new ATOM 0 HG2 GLU A 54 -12.743 -4.422 3.143 1.00 63.53 H new ATOM 0 HG3 GLU A 54 -11.498 -5.629 2.892 1.00 63.53 H new ATOM 897 N ASP A 55 -10.738 -4.012 -2.154 1.00 13.05 N ATOM 898 CA ASP A 55 -11.043 -4.148 -3.577 1.00 31.43 C ATOM 899 C ASP A 55 -9.882 -4.869 -4.275 1.00 2.40 C ATOM 900 O ASP A 55 -8.790 -4.307 -4.429 1.00 44.44 O ATOM 901 CB ASP A 55 -11.307 -2.767 -4.227 1.00 63.51 C ATOM 902 CG ASP A 55 -11.926 -2.889 -5.632 1.00 41.43 C ATOM 903 OD1 ASP A 55 -11.185 -3.061 -6.617 1.00 54.24 O ATOM 904 OD2 ASP A 55 -13.168 -2.826 -5.753 1.00 50.51 O ATOM 0 H ASP A 55 -10.211 -3.170 -1.924 1.00 13.05 H new ATOM 0 HA ASP A 55 -11.953 -4.737 -3.690 1.00 31.43 H new ATOM 0 HB2 ASP A 55 -11.974 -2.189 -3.588 1.00 63.51 H new ATOM 0 HB3 ASP A 55 -10.370 -2.214 -4.292 1.00 63.51 H new ATOM 909 N LYS A 56 -10.151 -6.124 -4.661 1.00 2.12 N ATOM 910 CA LYS A 56 -9.209 -7.017 -5.366 1.00 43.30 C ATOM 911 C LYS A 56 -8.595 -6.373 -6.630 1.00 25.45 C ATOM 912 O LYS A 56 -7.410 -6.571 -6.909 1.00 15.35 O ATOM 913 CB LYS A 56 -9.945 -8.325 -5.757 1.00 21.12 C ATOM 914 CG LYS A 56 -10.531 -9.106 -4.557 1.00 72.12 C ATOM 915 CD LYS A 56 -11.445 -10.282 -4.977 1.00 24.03 C ATOM 916 CE LYS A 56 -10.754 -11.303 -5.891 1.00 53.03 C ATOM 917 NZ LYS A 56 -9.572 -11.926 -5.240 1.00 12.30 N ATOM 0 H LYS A 56 -11.056 -6.563 -4.488 1.00 2.12 H new ATOM 0 HA LYS A 56 -8.385 -7.222 -4.683 1.00 43.30 H new ATOM 0 HB2 LYS A 56 -10.753 -8.082 -6.447 1.00 21.12 H new ATOM 0 HB3 LYS A 56 -9.251 -8.972 -6.294 1.00 21.12 H new ATOM 0 HG2 LYS A 56 -9.712 -9.491 -3.949 1.00 72.12 H new ATOM 0 HG3 LYS A 56 -11.099 -8.420 -3.929 1.00 72.12 H new ATOM 0 HD2 LYS A 56 -11.801 -10.791 -4.082 1.00 24.03 H new ATOM 0 HD3 LYS A 56 -12.322 -9.885 -5.488 1.00 24.03 H new ATOM 0 HE2 LYS A 56 -11.466 -12.080 -6.169 1.00 53.03 H new ATOM 0 HE3 LYS A 56 -10.443 -10.811 -6.813 1.00 53.03 H new ATOM 0 HZ1 LYS A 56 -9.136 -12.609 -5.892 1.00 12.30 H new ATOM 0 HZ2 LYS A 56 -8.880 -11.188 -4.998 1.00 12.30 H new ATOM 0 HZ3 LYS A 56 -9.872 -12.418 -4.374 1.00 12.30 H new ATOM 931 N GLU A 57 -9.417 -5.601 -7.372 1.00 64.55 N ATOM 932 CA GLU A 57 -9.002 -4.979 -8.647 1.00 62.12 C ATOM 933 C GLU A 57 -8.052 -3.797 -8.388 1.00 1.33 C ATOM 934 O GLU A 57 -7.073 -3.617 -9.111 1.00 45.52 O ATOM 935 CB GLU A 57 -10.235 -4.504 -9.469 1.00 74.21 C ATOM 936 CG GLU A 57 -11.303 -5.588 -9.707 1.00 13.31 C ATOM 937 CD GLU A 57 -12.422 -5.133 -10.668 1.00 62.53 C ATOM 938 OE1 GLU A 57 -13.445 -4.582 -10.197 1.00 53.53 O ATOM 939 OE2 GLU A 57 -12.277 -5.316 -11.901 1.00 51.44 O ATOM 0 H GLU A 57 -10.380 -5.393 -7.107 1.00 64.55 H new ATOM 0 HA GLU A 57 -8.475 -5.735 -9.229 1.00 62.12 H new ATOM 0 HB2 GLU A 57 -10.698 -3.664 -8.952 1.00 74.21 H new ATOM 0 HB3 GLU A 57 -9.891 -4.134 -10.435 1.00 74.21 H new ATOM 0 HG2 GLU A 57 -10.824 -6.479 -10.112 1.00 13.31 H new ATOM 0 HG3 GLU A 57 -11.745 -5.870 -8.752 1.00 13.31 H new ATOM 946 N SER A 58 -8.337 -3.024 -7.323 1.00 35.14 N ATOM 947 CA SER A 58 -7.552 -1.833 -6.954 1.00 1.41 C ATOM 948 C SER A 58 -6.146 -2.247 -6.509 1.00 14.52 C ATOM 949 O SER A 58 -5.154 -1.612 -6.871 1.00 13.42 O ATOM 950 CB SER A 58 -8.263 -1.061 -5.828 1.00 75.45 C ATOM 951 OG SER A 58 -9.572 -0.674 -6.220 1.00 73.34 O ATOM 0 H SER A 58 -9.119 -3.209 -6.694 1.00 35.14 H new ATOM 0 HA SER A 58 -7.465 -1.182 -7.824 1.00 1.41 H new ATOM 0 HB2 SER A 58 -8.317 -1.683 -4.934 1.00 75.45 H new ATOM 0 HB3 SER A 58 -7.682 -0.177 -5.566 1.00 75.45 H new ATOM 0 HG SER A 58 -10.084 -1.468 -6.481 1.00 73.34 H new ATOM 957 N ILE A 59 -6.091 -3.327 -5.718 1.00 20.51 N ATOM 958 CA ILE A 59 -4.837 -3.958 -5.305 1.00 71.31 C ATOM 959 C ILE A 59 -4.047 -4.427 -6.552 1.00 32.21 C ATOM 960 O ILE A 59 -2.884 -4.038 -6.745 1.00 33.12 O ATOM 961 CB ILE A 59 -5.123 -5.180 -4.346 1.00 61.11 C ATOM 962 CG1 ILE A 59 -5.829 -4.722 -3.030 1.00 73.51 C ATOM 963 CG2 ILE A 59 -3.834 -5.940 -4.026 1.00 73.45 C ATOM 964 CD1 ILE A 59 -6.189 -5.843 -2.066 1.00 61.13 C ATOM 0 H ILE A 59 -6.922 -3.788 -5.346 1.00 20.51 H new ATOM 0 HA ILE A 59 -4.239 -3.227 -4.761 1.00 71.31 H new ATOM 0 HB ILE A 59 -5.799 -5.854 -4.872 1.00 61.11 H new ATOM 0 HG12 ILE A 59 -5.179 -4.015 -2.514 1.00 73.51 H new ATOM 0 HG13 ILE A 59 -6.740 -4.184 -3.293 1.00 73.51 H new ATOM 0 HG21 ILE A 59 -4.059 -6.776 -3.364 1.00 73.45 H new ATOM 0 HG22 ILE A 59 -3.395 -6.317 -4.950 1.00 73.45 H new ATOM 0 HG23 ILE A 59 -3.128 -5.269 -3.536 1.00 73.45 H new ATOM 0 HD11 ILE A 59 -6.674 -5.423 -1.185 1.00 61.13 H new ATOM 0 HD12 ILE A 59 -6.868 -6.540 -2.556 1.00 61.13 H new ATOM 0 HD13 ILE A 59 -5.283 -6.369 -1.765 1.00 61.13 H new ATOM 976 N SER A 60 -4.738 -5.211 -7.409 1.00 70.02 N ATOM 977 CA SER A 60 -4.148 -5.883 -8.580 1.00 71.52 C ATOM 978 C SER A 60 -3.438 -4.891 -9.522 1.00 24.24 C ATOM 979 O SER A 60 -2.256 -5.078 -9.836 1.00 20.33 O ATOM 980 CB SER A 60 -5.242 -6.670 -9.343 1.00 64.14 C ATOM 981 OG SER A 60 -4.711 -7.386 -10.445 1.00 43.31 O ATOM 0 H SER A 60 -5.736 -5.395 -7.302 1.00 70.02 H new ATOM 0 HA SER A 60 -3.390 -6.577 -8.217 1.00 71.52 H new ATOM 0 HB2 SER A 60 -5.731 -7.365 -8.661 1.00 64.14 H new ATOM 0 HB3 SER A 60 -6.007 -5.978 -9.695 1.00 64.14 H new ATOM 0 HG SER A 60 -3.957 -7.935 -10.145 1.00 43.31 H new ATOM 987 N GLU A 61 -4.155 -3.811 -9.915 1.00 50.23 N ATOM 988 CA GLU A 61 -3.660 -2.810 -10.887 1.00 15.51 C ATOM 989 C GLU A 61 -2.326 -2.191 -10.438 1.00 21.31 C ATOM 990 O GLU A 61 -1.360 -2.151 -11.220 1.00 64.52 O ATOM 991 CB GLU A 61 -4.711 -1.690 -11.129 1.00 43.42 C ATOM 992 CG GLU A 61 -6.028 -2.163 -11.777 1.00 71.10 C ATOM 993 CD GLU A 61 -5.817 -2.922 -13.101 1.00 64.44 C ATOM 994 OE1 GLU A 61 -5.973 -4.167 -13.130 1.00 32.42 O ATOM 995 OE2 GLU A 61 -5.487 -2.279 -14.121 1.00 21.32 O ATOM 0 H GLU A 61 -5.092 -3.610 -9.566 1.00 50.23 H new ATOM 0 HA GLU A 61 -3.491 -3.339 -11.825 1.00 15.51 H new ATOM 0 HB2 GLU A 61 -4.942 -1.217 -10.175 1.00 43.42 H new ATOM 0 HB3 GLU A 61 -4.265 -0.925 -11.764 1.00 43.42 H new ATOM 0 HG2 GLU A 61 -6.558 -2.808 -11.077 1.00 71.10 H new ATOM 0 HG3 GLU A 61 -6.666 -1.298 -11.959 1.00 71.10 H new ATOM 1002 N ILE A 62 -2.279 -1.748 -9.162 1.00 54.31 N ATOM 1003 CA ILE A 62 -1.071 -1.150 -8.571 1.00 33.42 C ATOM 1004 C ILE A 62 0.107 -2.139 -8.639 1.00 63.25 C ATOM 1005 O ILE A 62 1.172 -1.779 -9.138 1.00 31.42 O ATOM 1006 CB ILE A 62 -1.296 -0.638 -7.080 1.00 22.21 C ATOM 1007 CG1 ILE A 62 -1.974 0.780 -7.047 1.00 65.10 C ATOM 1008 CG2 ILE A 62 0.025 -0.611 -6.263 1.00 53.13 C ATOM 1009 CD1 ILE A 62 -3.402 0.845 -7.564 1.00 34.03 C ATOM 0 H ILE A 62 -3.072 -1.796 -8.522 1.00 54.31 H new ATOM 0 HA ILE A 62 -0.832 -0.268 -9.166 1.00 33.42 H new ATOM 0 HB ILE A 62 -1.969 -1.356 -6.612 1.00 22.21 H new ATOM 0 HG12 ILE A 62 -1.963 1.143 -6.019 1.00 65.10 H new ATOM 0 HG13 ILE A 62 -1.364 1.467 -7.634 1.00 65.10 H new ATOM 0 HG21 ILE A 62 -0.179 -0.255 -5.253 1.00 53.13 H new ATOM 0 HG22 ILE A 62 0.444 -1.616 -6.216 1.00 53.13 H new ATOM 0 HG23 ILE A 62 0.738 0.057 -6.746 1.00 53.13 H new ATOM 0 HD11 ILE A 62 -3.768 1.869 -7.494 1.00 34.03 H new ATOM 0 HD12 ILE A 62 -3.427 0.521 -8.604 1.00 34.03 H new ATOM 0 HD13 ILE A 62 -4.036 0.192 -6.965 1.00 34.03 H new ATOM 1021 N ILE A 63 -0.111 -3.396 -8.186 1.00 31.20 N ATOM 1022 CA ILE A 63 0.967 -4.414 -8.126 1.00 12.12 C ATOM 1023 C ILE A 63 1.573 -4.648 -9.521 1.00 74.43 C ATOM 1024 O ILE A 63 2.792 -4.694 -9.664 1.00 11.23 O ATOM 1025 CB ILE A 63 0.470 -5.778 -7.541 1.00 74.21 C ATOM 1026 CG1 ILE A 63 -0.169 -5.581 -6.146 1.00 60.13 C ATOM 1027 CG2 ILE A 63 1.626 -6.809 -7.451 1.00 24.10 C ATOM 1028 CD1 ILE A 63 -0.789 -6.838 -5.591 1.00 25.42 C ATOM 0 H ILE A 63 -1.018 -3.729 -7.858 1.00 31.20 H new ATOM 0 HA ILE A 63 1.729 -4.018 -7.454 1.00 12.12 H new ATOM 0 HB ILE A 63 -0.286 -6.167 -8.223 1.00 74.21 H new ATOM 0 HG12 ILE A 63 0.592 -5.223 -5.453 1.00 60.13 H new ATOM 0 HG13 ILE A 63 -0.932 -4.805 -6.210 1.00 60.13 H new ATOM 0 HG21 ILE A 63 1.247 -7.745 -7.041 1.00 24.10 H new ATOM 0 HG22 ILE A 63 2.033 -6.987 -8.446 1.00 24.10 H new ATOM 0 HG23 ILE A 63 2.411 -6.420 -6.802 1.00 24.10 H new ATOM 0 HD11 ILE A 63 -1.219 -6.630 -4.611 1.00 25.42 H new ATOM 0 HD12 ILE A 63 -1.573 -7.185 -6.264 1.00 25.42 H new ATOM 0 HD13 ILE A 63 -0.025 -7.609 -5.496 1.00 25.42 H new ATOM 1040 N LYS A 64 0.697 -4.743 -10.542 1.00 32.02 N ATOM 1041 CA LYS A 64 1.101 -4.952 -11.949 1.00 53.01 C ATOM 1042 C LYS A 64 2.057 -3.837 -12.414 1.00 61.42 C ATOM 1043 O LYS A 64 3.085 -4.114 -13.057 1.00 11.14 O ATOM 1044 CB LYS A 64 -0.154 -4.991 -12.860 1.00 34.15 C ATOM 1045 CG LYS A 64 -1.122 -6.167 -12.566 1.00 11.20 C ATOM 1046 CD LYS A 64 -2.484 -6.016 -13.281 1.00 51.25 C ATOM 1047 CE LYS A 64 -2.362 -5.990 -14.814 1.00 0.32 C ATOM 1048 NZ LYS A 64 -1.900 -7.286 -15.374 1.00 12.54 N ATOM 0 H LYS A 64 -0.313 -4.677 -10.415 1.00 32.02 H new ATOM 0 HA LYS A 64 1.625 -5.905 -12.020 1.00 53.01 H new ATOM 0 HB2 LYS A 64 -0.697 -4.053 -12.750 1.00 34.15 H new ATOM 0 HB3 LYS A 64 0.168 -5.053 -13.899 1.00 34.15 H new ATOM 0 HG2 LYS A 64 -0.655 -7.102 -12.877 1.00 11.20 H new ATOM 0 HG3 LYS A 64 -1.287 -6.235 -11.491 1.00 11.20 H new ATOM 0 HD2 LYS A 64 -3.134 -6.840 -12.988 1.00 51.25 H new ATOM 0 HD3 LYS A 64 -2.964 -5.097 -12.945 1.00 51.25 H new ATOM 0 HE2 LYS A 64 -3.329 -5.736 -15.247 1.00 0.32 H new ATOM 0 HE3 LYS A 64 -1.666 -5.204 -15.106 1.00 0.32 H new ATOM 0 HZ1 LYS A 64 -1.835 -7.213 -16.409 1.00 12.54 H new ATOM 0 HZ2 LYS A 64 -0.964 -7.519 -14.984 1.00 12.54 H new ATOM 0 HZ3 LYS A 64 -2.577 -8.034 -15.121 1.00 12.54 H new ATOM 1062 N GLN A 65 1.713 -2.582 -12.053 1.00 0.43 N ATOM 1063 CA GLN A 65 2.565 -1.403 -12.322 1.00 74.32 C ATOM 1064 C GLN A 65 3.935 -1.562 -11.626 1.00 14.33 C ATOM 1065 O GLN A 65 4.979 -1.446 -12.265 1.00 73.22 O ATOM 1066 CB GLN A 65 1.880 -0.102 -11.814 1.00 72.22 C ATOM 1067 CG GLN A 65 0.487 0.197 -12.393 1.00 41.41 C ATOM 1068 CD GLN A 65 0.470 0.335 -13.912 1.00 24.43 C ATOM 1069 OE1 GLN A 65 0.211 -0.622 -14.642 1.00 13.32 O ATOM 1070 NE2 GLN A 65 0.783 1.523 -14.394 1.00 30.44 N ATOM 0 H GLN A 65 0.843 -2.358 -11.570 1.00 0.43 H new ATOM 0 HA GLN A 65 2.711 -1.332 -13.400 1.00 74.32 H new ATOM 0 HB2 GLN A 65 1.796 -0.159 -10.729 1.00 72.22 H new ATOM 0 HB3 GLN A 65 2.534 0.741 -12.039 1.00 72.22 H new ATOM 0 HG2 GLN A 65 -0.196 -0.601 -12.102 1.00 41.41 H new ATOM 0 HG3 GLN A 65 0.109 1.118 -11.949 1.00 41.41 H new ATOM 0 HE21 GLN A 65 0.992 2.293 -13.758 1.00 30.44 H new ATOM 0 HE22 GLN A 65 0.816 1.672 -15.403 1.00 30.44 H new ATOM 1079 N VAL A 66 3.885 -1.886 -10.324 1.00 24.44 N ATOM 1080 CA VAL A 66 5.056 -1.907 -9.427 1.00 74.44 C ATOM 1081 C VAL A 66 6.073 -3.006 -9.817 1.00 70.31 C ATOM 1082 O VAL A 66 7.290 -2.769 -9.773 1.00 21.42 O ATOM 1083 CB VAL A 66 4.600 -2.090 -7.929 1.00 43.23 C ATOM 1084 CG1 VAL A 66 5.802 -2.197 -6.975 1.00 4.34 C ATOM 1085 CG2 VAL A 66 3.670 -0.940 -7.487 1.00 31.22 C ATOM 0 H VAL A 66 3.017 -2.145 -9.856 1.00 24.44 H new ATOM 0 HA VAL A 66 5.560 -0.946 -9.534 1.00 74.44 H new ATOM 0 HB VAL A 66 4.046 -3.027 -7.877 1.00 43.23 H new ATOM 0 HG11 VAL A 66 5.445 -2.322 -5.953 1.00 4.34 H new ATOM 0 HG12 VAL A 66 6.413 -3.056 -7.254 1.00 4.34 H new ATOM 0 HG13 VAL A 66 6.401 -1.289 -7.041 1.00 4.34 H new ATOM 0 HG21 VAL A 66 3.371 -1.092 -6.450 1.00 31.22 H new ATOM 0 HG22 VAL A 66 4.197 0.010 -7.577 1.00 31.22 H new ATOM 0 HG23 VAL A 66 2.784 -0.924 -8.121 1.00 31.22 H new ATOM 1095 N LEU A 67 5.571 -4.190 -10.215 1.00 33.34 N ATOM 1096 CA LEU A 67 6.430 -5.338 -10.587 1.00 23.10 C ATOM 1097 C LEU A 67 7.201 -5.037 -11.882 1.00 64.21 C ATOM 1098 O LEU A 67 8.369 -5.416 -12.033 1.00 10.24 O ATOM 1099 CB LEU A 67 5.589 -6.632 -10.767 1.00 34.13 C ATOM 1100 CG LEU A 67 4.770 -7.115 -9.534 1.00 41.42 C ATOM 1101 CD1 LEU A 67 3.918 -8.348 -9.895 1.00 61.41 C ATOM 1102 CD2 LEU A 67 5.667 -7.388 -8.308 1.00 63.42 C ATOM 0 H LEU A 67 4.572 -4.380 -10.288 1.00 33.34 H new ATOM 0 HA LEU A 67 7.141 -5.496 -9.776 1.00 23.10 H new ATOM 0 HB2 LEU A 67 4.897 -6.475 -11.594 1.00 34.13 H new ATOM 0 HB3 LEU A 67 6.262 -7.436 -11.064 1.00 34.13 H new ATOM 0 HG LEU A 67 4.097 -6.305 -9.253 1.00 41.42 H new ATOM 0 HD11 LEU A 67 3.354 -8.669 -9.020 1.00 61.41 H new ATOM 0 HD12 LEU A 67 3.227 -8.090 -10.698 1.00 61.41 H new ATOM 0 HD13 LEU A 67 4.570 -9.157 -10.223 1.00 61.41 H new ATOM 0 HD21 LEU A 67 5.051 -7.722 -7.473 1.00 63.42 H new ATOM 0 HD22 LEU A 67 6.395 -8.161 -8.554 1.00 63.42 H new ATOM 0 HD23 LEU A 67 6.190 -6.473 -8.029 1.00 63.42 H new ATOM 1114 N ASP A 68 6.525 -4.343 -12.808 1.00 11.20 N ATOM 1115 CA ASP A 68 7.110 -3.949 -14.102 1.00 52.44 C ATOM 1116 C ASP A 68 8.080 -2.766 -13.917 1.00 0.20 C ATOM 1117 O ASP A 68 9.123 -2.693 -14.577 1.00 51.41 O ATOM 1118 CB ASP A 68 5.985 -3.584 -15.106 1.00 62.35 C ATOM 1119 CG ASP A 68 6.520 -3.267 -16.518 1.00 35.04 C ATOM 1120 OD1 ASP A 68 6.782 -4.219 -17.292 1.00 71.03 O ATOM 1121 OD2 ASP A 68 6.689 -2.072 -16.857 1.00 40.13 O ATOM 0 H ASP A 68 5.559 -4.038 -12.684 1.00 11.20 H new ATOM 0 HA ASP A 68 7.674 -4.791 -14.504 1.00 52.44 H new ATOM 0 HB2 ASP A 68 5.278 -4.411 -15.168 1.00 62.35 H new ATOM 0 HB3 ASP A 68 5.435 -2.722 -14.729 1.00 62.35 H new ATOM 1126 N SER A 69 7.726 -1.863 -12.990 1.00 43.21 N ATOM 1127 CA SER A 69 8.511 -0.656 -12.681 1.00 21.14 C ATOM 1128 C SER A 69 9.698 -0.973 -11.742 1.00 4.41 C ATOM 1129 O SER A 69 10.617 -0.157 -11.615 1.00 22.41 O ATOM 1130 CB SER A 69 7.589 0.413 -12.048 1.00 62.12 C ATOM 1131 OG SER A 69 6.575 0.820 -12.958 1.00 73.32 O ATOM 0 H SER A 69 6.879 -1.950 -12.428 1.00 43.21 H new ATOM 0 HA SER A 69 8.928 -0.271 -13.612 1.00 21.14 H new ATOM 0 HB2 SER A 69 7.131 0.013 -11.144 1.00 62.12 H new ATOM 0 HB3 SER A 69 8.182 1.278 -11.749 1.00 62.12 H new ATOM 0 HG SER A 69 5.830 0.184 -12.923 1.00 73.32 H new ATOM 1137 N GLY A 70 9.662 -2.152 -11.087 1.00 3.52 N ATOM 1138 CA GLY A 70 10.724 -2.578 -10.172 1.00 72.34 C ATOM 1139 C GLY A 70 10.798 -1.721 -8.915 1.00 70.14 C ATOM 1140 O GLY A 70 11.817 -1.082 -8.639 1.00 54.52 O ATOM 0 H GLY A 70 8.901 -2.825 -11.181 1.00 3.52 H new ATOM 0 HA2 GLY A 70 10.558 -3.617 -9.889 1.00 72.34 H new ATOM 0 HA3 GLY A 70 11.682 -2.538 -10.691 1.00 72.34 H new ATOM 1144 N ALA A 71 9.696 -1.698 -8.163 1.00 40.23 N ATOM 1145 CA ALA A 71 9.591 -0.949 -6.897 1.00 44.22 C ATOM 1146 C ALA A 71 9.101 -1.889 -5.783 1.00 44.32 C ATOM 1147 O ALA A 71 8.743 -3.043 -6.050 1.00 61.33 O ATOM 1148 CB ALA A 71 8.648 0.261 -7.082 1.00 75.05 C ATOM 0 H ALA A 71 8.843 -2.199 -8.412 1.00 40.23 H new ATOM 0 HA ALA A 71 10.569 -0.566 -6.608 1.00 44.22 H new ATOM 0 HB1 ALA A 71 8.574 0.811 -6.144 1.00 75.05 H new ATOM 0 HB2 ALA A 71 9.045 0.917 -7.857 1.00 75.05 H new ATOM 0 HB3 ALA A 71 7.659 -0.090 -7.376 1.00 75.05 H new ATOM 1154 N LYS A 72 9.095 -1.405 -4.533 1.00 51.43 N ATOM 1155 CA LYS A 72 8.585 -2.181 -3.377 1.00 12.45 C ATOM 1156 C LYS A 72 7.100 -1.865 -3.169 1.00 41.44 C ATOM 1157 O LYS A 72 6.680 -0.724 -3.361 1.00 54.03 O ATOM 1158 CB LYS A 72 9.399 -1.878 -2.078 1.00 74.32 C ATOM 1159 CG LYS A 72 10.823 -2.497 -2.023 1.00 22.22 C ATOM 1160 CD LYS A 72 11.823 -1.872 -3.017 1.00 13.02 C ATOM 1161 CE LYS A 72 12.106 -0.390 -2.720 1.00 40.32 C ATOM 1162 NZ LYS A 72 13.035 0.197 -3.718 1.00 4.23 N ATOM 0 H LYS A 72 9.438 -0.476 -4.289 1.00 51.43 H new ATOM 0 HA LYS A 72 8.705 -3.243 -3.592 1.00 12.45 H new ATOM 0 HB2 LYS A 72 9.487 -0.797 -1.969 1.00 74.32 H new ATOM 0 HB3 LYS A 72 8.831 -2.240 -1.221 1.00 74.32 H new ATOM 0 HG2 LYS A 72 11.216 -2.387 -1.012 1.00 22.22 H new ATOM 0 HG3 LYS A 72 10.750 -3.566 -2.222 1.00 22.22 H new ATOM 0 HD2 LYS A 72 12.759 -2.430 -2.984 1.00 13.02 H new ATOM 0 HD3 LYS A 72 11.430 -1.967 -4.029 1.00 13.02 H new ATOM 0 HE2 LYS A 72 11.169 0.168 -2.721 1.00 40.32 H new ATOM 0 HE3 LYS A 72 12.534 -0.293 -1.722 1.00 40.32 H new ATOM 0 HZ1 LYS A 72 13.797 0.706 -3.226 1.00 4.23 H new ATOM 0 HZ2 LYS A 72 13.445 -0.562 -4.299 1.00 4.23 H new ATOM 0 HZ3 LYS A 72 12.515 0.859 -4.329 1.00 4.23 H new ATOM 1176 N VAL A 73 6.315 -2.882 -2.787 1.00 74.13 N ATOM 1177 CA VAL A 73 4.873 -2.738 -2.541 1.00 34.35 C ATOM 1178 C VAL A 73 4.436 -3.630 -1.365 1.00 54.41 C ATOM 1179 O VAL A 73 4.828 -4.797 -1.276 1.00 50.14 O ATOM 1180 CB VAL A 73 4.025 -3.041 -3.841 1.00 41.33 C ATOM 1181 CG1 VAL A 73 4.397 -4.402 -4.473 1.00 13.32 C ATOM 1182 CG2 VAL A 73 2.500 -2.918 -3.578 1.00 2.11 C ATOM 0 H VAL A 73 6.663 -3.830 -2.640 1.00 74.13 H new ATOM 0 HA VAL A 73 4.681 -1.699 -2.272 1.00 34.35 H new ATOM 0 HB VAL A 73 4.283 -2.276 -4.573 1.00 41.33 H new ATOM 0 HG11 VAL A 73 3.790 -4.568 -5.363 1.00 13.32 H new ATOM 0 HG12 VAL A 73 5.452 -4.399 -4.749 1.00 13.32 H new ATOM 0 HG13 VAL A 73 4.212 -5.200 -3.754 1.00 13.32 H new ATOM 0 HG21 VAL A 73 1.954 -3.134 -4.496 1.00 2.11 H new ATOM 0 HG22 VAL A 73 2.206 -3.628 -2.805 1.00 2.11 H new ATOM 0 HG23 VAL A 73 2.268 -1.905 -3.248 1.00 2.11 H new ATOM 1192 N LEU A 74 3.667 -3.034 -0.443 1.00 22.40 N ATOM 1193 CA LEU A 74 3.029 -3.733 0.673 1.00 1.03 C ATOM 1194 C LEU A 74 1.515 -3.651 0.489 1.00 32.44 C ATOM 1195 O LEU A 74 0.962 -2.562 0.338 1.00 73.40 O ATOM 1196 CB LEU A 74 3.446 -3.110 2.033 1.00 35.41 C ATOM 1197 CG LEU A 74 2.692 -3.639 3.298 1.00 73.31 C ATOM 1198 CD1 LEU A 74 2.850 -5.162 3.474 1.00 22.11 C ATOM 1199 CD2 LEU A 74 3.127 -2.878 4.568 1.00 62.30 C ATOM 0 H LEU A 74 3.469 -2.033 -0.455 1.00 22.40 H new ATOM 0 HA LEU A 74 3.349 -4.775 0.681 1.00 1.03 H new ATOM 0 HB2 LEU A 74 4.513 -3.281 2.175 1.00 35.41 H new ATOM 0 HB3 LEU A 74 3.301 -2.031 1.974 1.00 35.41 H new ATOM 0 HG LEU A 74 1.631 -3.447 3.140 1.00 73.31 H new ATOM 0 HD11 LEU A 74 2.310 -5.483 4.365 1.00 22.11 H new ATOM 0 HD12 LEU A 74 2.446 -5.673 2.600 1.00 22.11 H new ATOM 0 HD13 LEU A 74 3.906 -5.408 3.582 1.00 22.11 H new ATOM 0 HD21 LEU A 74 2.586 -3.269 5.430 1.00 62.30 H new ATOM 0 HD22 LEU A 74 4.198 -3.010 4.722 1.00 62.30 H new ATOM 0 HD23 LEU A 74 2.905 -1.817 4.450 1.00 62.30 H new ATOM 1211 N ILE A 75 0.861 -4.809 0.475 1.00 2.30 N ATOM 1212 CA ILE A 75 -0.589 -4.919 0.349 1.00 73.31 C ATOM 1213 C ILE A 75 -1.183 -5.310 1.697 1.00 30.44 C ATOM 1214 O ILE A 75 -0.791 -6.320 2.301 1.00 24.40 O ATOM 1215 CB ILE A 75 -0.985 -5.961 -0.756 1.00 34.23 C ATOM 1216 CG1 ILE A 75 -0.484 -5.478 -2.155 1.00 12.11 C ATOM 1217 CG2 ILE A 75 -2.506 -6.249 -0.771 1.00 15.11 C ATOM 1218 CD1 ILE A 75 -0.958 -4.094 -2.590 1.00 41.43 C ATOM 0 H ILE A 75 1.331 -5.711 0.552 1.00 2.30 H new ATOM 0 HA ILE A 75 -0.991 -3.953 0.044 1.00 73.31 H new ATOM 0 HB ILE A 75 -0.494 -6.904 -0.515 1.00 34.23 H new ATOM 0 HG12 ILE A 75 0.606 -5.483 -2.151 1.00 12.11 H new ATOM 0 HG13 ILE A 75 -0.803 -6.203 -2.904 1.00 12.11 H new ATOM 0 HG21 ILE A 75 -2.731 -6.975 -1.552 1.00 15.11 H new ATOM 0 HG22 ILE A 75 -2.810 -6.650 0.196 1.00 15.11 H new ATOM 0 HG23 ILE A 75 -3.049 -5.325 -0.968 1.00 15.11 H new ATOM 0 HD11 ILE A 75 -0.550 -3.862 -3.574 1.00 41.43 H new ATOM 0 HD12 ILE A 75 -2.047 -4.080 -2.636 1.00 41.43 H new ATOM 0 HD13 ILE A 75 -0.616 -3.350 -1.871 1.00 41.43 H new ATOM 1230 N LEU A 76 -2.111 -4.478 2.160 1.00 51.32 N ATOM 1231 CA LEU A 76 -2.844 -4.664 3.403 1.00 23.32 C ATOM 1232 C LEU A 76 -4.337 -4.722 3.067 1.00 51.15 C ATOM 1233 O LEU A 76 -4.834 -3.907 2.279 1.00 54.20 O ATOM 1234 CB LEU A 76 -2.511 -3.495 4.380 1.00 1.22 C ATOM 1235 CG LEU A 76 -0.994 -3.352 4.743 1.00 25.42 C ATOM 1236 CD1 LEU A 76 -0.708 -2.085 5.575 1.00 32.42 C ATOM 1237 CD2 LEU A 76 -0.479 -4.620 5.457 1.00 60.12 C ATOM 0 H LEU A 76 -2.380 -3.629 1.663 1.00 51.32 H new ATOM 0 HA LEU A 76 -2.559 -5.593 3.898 1.00 23.32 H new ATOM 0 HB2 LEU A 76 -2.853 -2.560 3.935 1.00 1.22 H new ATOM 0 HB3 LEU A 76 -3.078 -3.637 5.300 1.00 1.22 H new ATOM 0 HG LEU A 76 -0.447 -3.241 3.806 1.00 25.42 H new ATOM 0 HD11 LEU A 76 0.357 -2.031 5.801 1.00 32.42 H new ATOM 0 HD12 LEU A 76 -1.004 -1.203 5.007 1.00 32.42 H new ATOM 0 HD13 LEU A 76 -1.275 -2.125 6.505 1.00 32.42 H new ATOM 0 HD21 LEU A 76 0.577 -4.498 5.699 1.00 60.12 H new ATOM 0 HD22 LEU A 76 -1.046 -4.777 6.375 1.00 60.12 H new ATOM 0 HD23 LEU A 76 -0.603 -5.482 4.802 1.00 60.12 H new ATOM 1249 N SER A 77 -5.037 -5.709 3.628 1.00 13.34 N ATOM 1250 CA SER A 77 -6.486 -5.871 3.449 1.00 32.33 C ATOM 1251 C SER A 77 -7.041 -6.662 4.625 1.00 4.02 C ATOM 1252 O SER A 77 -6.388 -7.591 5.117 1.00 42.21 O ATOM 1253 CB SER A 77 -6.825 -6.583 2.111 1.00 0.11 C ATOM 1254 OG SER A 77 -8.231 -6.678 1.911 1.00 63.33 O ATOM 0 H SER A 77 -4.616 -6.423 4.222 1.00 13.34 H new ATOM 0 HA SER A 77 -6.945 -4.883 3.411 1.00 32.33 H new ATOM 0 HB2 SER A 77 -6.375 -6.036 1.283 1.00 0.11 H new ATOM 0 HB3 SER A 77 -6.388 -7.582 2.108 1.00 0.11 H new ATOM 0 HG SER A 77 -8.675 -5.917 2.340 1.00 63.33 H new ATOM 1260 N SER A 78 -8.250 -6.290 5.059 1.00 54.31 N ATOM 1261 CA SER A 78 -8.958 -6.948 6.162 1.00 31.55 C ATOM 1262 C SER A 78 -9.297 -8.406 5.807 1.00 53.42 C ATOM 1263 O SER A 78 -9.373 -9.279 6.686 1.00 34.23 O ATOM 1264 CB SER A 78 -10.244 -6.159 6.477 1.00 12.44 C ATOM 1265 OG SER A 78 -11.112 -6.137 5.363 1.00 5.02 O ATOM 0 H SER A 78 -8.770 -5.514 4.649 1.00 54.31 H new ATOM 0 HA SER A 78 -8.313 -6.962 7.040 1.00 31.55 H new ATOM 0 HB2 SER A 78 -10.752 -6.611 7.329 1.00 12.44 H new ATOM 0 HB3 SER A 78 -9.988 -5.139 6.763 1.00 12.44 H new ATOM 0 HG SER A 78 -11.921 -5.632 5.589 1.00 5.02 H new ATOM 1271 N ASP A 79 -9.489 -8.646 4.498 1.00 2.53 N ATOM 1272 CA ASP A 79 -9.809 -9.965 3.971 1.00 61.30 C ATOM 1273 C ASP A 79 -8.499 -10.688 3.580 1.00 14.50 C ATOM 1274 O ASP A 79 -7.822 -10.326 2.598 1.00 74.24 O ATOM 1275 CB ASP A 79 -10.778 -9.846 2.770 1.00 13.54 C ATOM 1276 CG ASP A 79 -11.367 -11.206 2.350 1.00 23.05 C ATOM 1277 OD1 ASP A 79 -12.507 -11.540 2.758 1.00 33.01 O ATOM 1278 OD2 ASP A 79 -10.683 -11.952 1.639 1.00 42.30 O ATOM 0 H ASP A 79 -9.424 -7.922 3.782 1.00 2.53 H new ATOM 0 HA ASP A 79 -10.314 -10.556 4.735 1.00 61.30 H new ATOM 0 HB2 ASP A 79 -11.590 -9.166 3.028 1.00 13.54 H new ATOM 0 HB3 ASP A 79 -10.251 -9.405 1.924 1.00 13.54 H new ATOM 1283 N GLU A 80 -8.168 -11.712 4.367 1.00 3.42 N ATOM 1284 CA GLU A 80 -6.928 -12.490 4.222 1.00 42.10 C ATOM 1285 C GLU A 80 -7.003 -13.494 3.055 1.00 71.40 C ATOM 1286 O GLU A 80 -5.971 -14.055 2.670 1.00 41.02 O ATOM 1287 CB GLU A 80 -6.572 -13.202 5.552 1.00 34.45 C ATOM 1288 CG GLU A 80 -7.721 -14.021 6.165 1.00 55.21 C ATOM 1289 CD GLU A 80 -7.299 -14.791 7.418 1.00 40.43 C ATOM 1290 OE1 GLU A 80 -7.352 -14.216 8.527 1.00 32.40 O ATOM 1291 OE2 GLU A 80 -6.878 -15.961 7.294 1.00 71.41 O ATOM 0 H GLU A 80 -8.759 -12.032 5.135 1.00 3.42 H new ATOM 0 HA GLU A 80 -6.130 -11.788 3.981 1.00 42.10 H new ATOM 0 HB2 GLU A 80 -5.723 -13.864 5.379 1.00 34.45 H new ATOM 0 HB3 GLU A 80 -6.250 -12.453 6.276 1.00 34.45 H new ATOM 0 HG2 GLU A 80 -8.544 -13.352 6.416 1.00 55.21 H new ATOM 0 HG3 GLU A 80 -8.097 -14.724 5.422 1.00 55.21 H new ATOM 1298 N ASN A 81 -8.213 -13.728 2.503 1.00 51.44 N ATOM 1299 CA ASN A 81 -8.385 -14.569 1.299 1.00 32.33 C ATOM 1300 C ASN A 81 -7.859 -13.795 0.078 1.00 2.14 C ATOM 1301 O ASN A 81 -7.229 -14.379 -0.808 1.00 60.15 O ATOM 1302 CB ASN A 81 -9.876 -14.956 1.067 1.00 33.20 C ATOM 1303 CG ASN A 81 -10.557 -15.596 2.279 1.00 23.25 C ATOM 1304 OD1 ASN A 81 -9.953 -16.374 3.019 1.00 32.13 O ATOM 1305 ND2 ASN A 81 -11.823 -15.257 2.498 1.00 12.31 N ATOM 0 H ASN A 81 -9.084 -13.347 2.872 1.00 51.44 H new ATOM 0 HA ASN A 81 -7.825 -15.493 1.443 1.00 32.33 H new ATOM 0 HB2 ASN A 81 -10.431 -14.062 0.783 1.00 33.20 H new ATOM 0 HB3 ASN A 81 -9.933 -15.647 0.226 1.00 33.20 H new ATOM 0 HD21 ASN A 81 -12.323 -15.644 3.298 1.00 12.31 H new ATOM 0 HD22 ASN A 81 -12.294 -14.610 1.866 1.00 12.31 H new ATOM 1312 N ILE A 82 -8.122 -12.463 0.067 1.00 14.11 N ATOM 1313 CA ILE A 82 -7.611 -11.546 -0.967 1.00 1.15 C ATOM 1314 C ILE A 82 -6.091 -11.451 -0.840 1.00 64.53 C ATOM 1315 O ILE A 82 -5.388 -11.587 -1.837 1.00 0.33 O ATOM 1316 CB ILE A 82 -8.235 -10.100 -0.865 1.00 1.12 C ATOM 1317 CG1 ILE A 82 -9.787 -10.149 -1.004 1.00 2.20 C ATOM 1318 CG2 ILE A 82 -7.622 -9.146 -1.926 1.00 74.44 C ATOM 1319 CD1 ILE A 82 -10.477 -8.809 -0.800 1.00 62.31 C ATOM 0 H ILE A 82 -8.693 -12.002 0.775 1.00 14.11 H new ATOM 0 HA ILE A 82 -7.899 -11.952 -1.937 1.00 1.15 H new ATOM 0 HB ILE A 82 -7.993 -9.707 0.122 1.00 1.12 H new ATOM 0 HG12 ILE A 82 -10.039 -10.527 -1.995 1.00 2.20 H new ATOM 0 HG13 ILE A 82 -10.182 -10.862 -0.280 1.00 2.20 H new ATOM 0 HG21 ILE A 82 -8.072 -8.158 -1.830 1.00 74.44 H new ATOM 0 HG22 ILE A 82 -6.546 -9.071 -1.770 1.00 74.44 H new ATOM 0 HG23 ILE A 82 -7.817 -9.538 -2.924 1.00 74.44 H new ATOM 0 HD11 ILE A 82 -11.554 -8.933 -0.914 1.00 62.31 H new ATOM 0 HD12 ILE A 82 -10.259 -8.436 0.201 1.00 62.31 H new ATOM 0 HD13 ILE A 82 -10.114 -8.096 -1.540 1.00 62.31 H new ATOM 1331 N ILE A 83 -5.606 -11.250 0.408 1.00 33.11 N ATOM 1332 CA ILE A 83 -4.159 -11.226 0.714 1.00 30.33 C ATOM 1333 C ILE A 83 -3.464 -12.492 0.163 1.00 75.05 C ATOM 1334 O ILE A 83 -2.439 -12.388 -0.512 1.00 63.12 O ATOM 1335 CB ILE A 83 -3.903 -11.068 2.268 1.00 2.40 C ATOM 1336 CG1 ILE A 83 -4.350 -9.654 2.753 1.00 52.33 C ATOM 1337 CG2 ILE A 83 -2.428 -11.342 2.668 1.00 0.20 C ATOM 1338 CD1 ILE A 83 -3.563 -8.493 2.151 1.00 71.55 C ATOM 0 H ILE A 83 -6.201 -11.101 1.223 1.00 33.11 H new ATOM 0 HA ILE A 83 -3.725 -10.357 0.219 1.00 30.33 H new ATOM 0 HB ILE A 83 -4.507 -11.827 2.766 1.00 2.40 H new ATOM 0 HG12 ILE A 83 -5.406 -9.521 2.516 1.00 52.33 H new ATOM 0 HG13 ILE A 83 -4.259 -9.612 3.838 1.00 52.33 H new ATOM 0 HG21 ILE A 83 -2.314 -11.218 3.745 1.00 0.20 H new ATOM 0 HG22 ILE A 83 -2.159 -12.361 2.389 1.00 0.20 H new ATOM 0 HG23 ILE A 83 -1.774 -10.640 2.151 1.00 0.20 H new ATOM 0 HD11 ILE A 83 -3.944 -7.551 2.546 1.00 71.55 H new ATOM 0 HD12 ILE A 83 -2.509 -8.595 2.410 1.00 71.55 H new ATOM 0 HD13 ILE A 83 -3.673 -8.502 1.067 1.00 71.55 H new ATOM 1350 N GLU A 84 -4.086 -13.668 0.390 1.00 1.23 N ATOM 1351 CA GLU A 84 -3.543 -14.961 -0.067 1.00 2.25 C ATOM 1352 C GLU A 84 -3.585 -15.087 -1.604 1.00 54.51 C ATOM 1353 O GLU A 84 -2.648 -15.628 -2.202 1.00 2.13 O ATOM 1354 CB GLU A 84 -4.299 -16.138 0.599 1.00 52.23 C ATOM 1355 CG GLU A 84 -3.749 -17.529 0.220 1.00 54.22 C ATOM 1356 CD GLU A 84 -4.427 -18.680 0.973 1.00 71.43 C ATOM 1357 OE1 GLU A 84 -3.944 -19.056 2.062 1.00 51.34 O ATOM 1358 OE2 GLU A 84 -5.439 -19.215 0.474 1.00 23.10 O ATOM 0 H GLU A 84 -4.971 -13.746 0.891 1.00 1.23 H new ATOM 0 HA GLU A 84 -2.497 -15.003 0.237 1.00 2.25 H new ATOM 0 HB2 GLU A 84 -4.251 -16.022 1.682 1.00 52.23 H new ATOM 0 HB3 GLU A 84 -5.351 -16.086 0.319 1.00 52.23 H new ATOM 0 HG2 GLU A 84 -3.876 -17.682 -0.852 1.00 54.22 H new ATOM 0 HG3 GLU A 84 -2.678 -17.555 0.421 1.00 54.22 H new ATOM 1365 N SER A 85 -4.661 -14.568 -2.239 1.00 51.24 N ATOM 1366 CA SER A 85 -4.786 -14.534 -3.718 1.00 55.34 C ATOM 1367 C SER A 85 -3.643 -13.704 -4.328 1.00 42.51 C ATOM 1368 O SER A 85 -3.073 -14.061 -5.363 1.00 62.32 O ATOM 1369 CB SER A 85 -6.147 -13.939 -4.139 1.00 23.10 C ATOM 1370 OG SER A 85 -7.223 -14.669 -3.573 1.00 23.11 O ATOM 0 H SER A 85 -5.460 -14.165 -1.749 1.00 51.24 H new ATOM 0 HA SER A 85 -4.724 -15.557 -4.089 1.00 55.34 H new ATOM 0 HB2 SER A 85 -6.205 -12.897 -3.823 1.00 23.10 H new ATOM 0 HB3 SER A 85 -6.230 -13.948 -5.226 1.00 23.10 H new ATOM 0 HG SER A 85 -7.224 -14.548 -2.600 1.00 23.11 H new ATOM 1376 N ILE A 86 -3.303 -12.618 -3.630 1.00 30.21 N ATOM 1377 CA ILE A 86 -2.222 -11.706 -4.010 1.00 73.33 C ATOM 1378 C ILE A 86 -0.844 -12.370 -3.821 1.00 61.13 C ATOM 1379 O ILE A 86 0.071 -12.116 -4.594 1.00 74.14 O ATOM 1380 CB ILE A 86 -2.342 -10.362 -3.190 1.00 64.32 C ATOM 1381 CG1 ILE A 86 -3.658 -9.607 -3.571 1.00 45.40 C ATOM 1382 CG2 ILE A 86 -1.114 -9.445 -3.362 1.00 41.35 C ATOM 1383 CD1 ILE A 86 -3.812 -9.275 -5.051 1.00 14.54 C ATOM 0 H ILE A 86 -3.779 -12.343 -2.771 1.00 30.21 H new ATOM 0 HA ILE A 86 -2.316 -11.468 -5.070 1.00 73.33 H new ATOM 0 HB ILE A 86 -2.379 -10.635 -2.135 1.00 64.32 H new ATOM 0 HG12 ILE A 86 -4.509 -10.214 -3.261 1.00 45.40 H new ATOM 0 HG13 ILE A 86 -3.704 -8.679 -3.001 1.00 45.40 H new ATOM 0 HG21 ILE A 86 -1.253 -8.537 -2.776 1.00 41.35 H new ATOM 0 HG22 ILE A 86 -0.220 -9.966 -3.018 1.00 41.35 H new ATOM 0 HG23 ILE A 86 -1.000 -9.184 -4.414 1.00 41.35 H new ATOM 0 HD11 ILE A 86 -4.755 -8.753 -5.211 1.00 14.54 H new ATOM 0 HD12 ILE A 86 -2.987 -8.638 -5.369 1.00 14.54 H new ATOM 0 HD13 ILE A 86 -3.804 -10.196 -5.633 1.00 14.54 H new ATOM 1395 N ARG A 87 -0.720 -13.233 -2.802 1.00 21.35 N ATOM 1396 CA ARG A 87 0.527 -13.972 -2.533 1.00 30.51 C ATOM 1397 C ARG A 87 0.817 -15.009 -3.634 1.00 41.40 C ATOM 1398 O ARG A 87 1.928 -15.064 -4.176 1.00 65.14 O ATOM 1399 CB ARG A 87 0.456 -14.668 -1.149 1.00 61.13 C ATOM 1400 CG ARG A 87 0.387 -13.690 0.040 1.00 63.42 C ATOM 1401 CD ARG A 87 0.450 -14.392 1.407 1.00 63.24 C ATOM 1402 NE ARG A 87 1.655 -15.233 1.527 1.00 12.50 N ATOM 1403 CZ ARG A 87 2.900 -14.783 1.798 1.00 14.15 C ATOM 1404 NH1 ARG A 87 3.138 -13.488 1.986 1.00 23.44 N ATOM 1405 NH2 ARG A 87 3.903 -15.638 1.830 1.00 74.44 N ATOM 0 H ARG A 87 -1.473 -13.439 -2.145 1.00 21.35 H new ATOM 0 HA ARG A 87 1.344 -13.251 -2.527 1.00 30.51 H new ATOM 0 HB2 ARG A 87 -0.420 -15.317 -1.124 1.00 61.13 H new ATOM 0 HB3 ARG A 87 1.330 -15.308 -1.030 1.00 61.13 H new ATOM 0 HG2 ARG A 87 1.210 -12.979 -0.034 1.00 63.42 H new ATOM 0 HG3 ARG A 87 -0.537 -13.115 -0.024 1.00 63.42 H new ATOM 0 HD2 ARG A 87 0.445 -13.645 2.201 1.00 63.24 H new ATOM 0 HD3 ARG A 87 -0.439 -15.007 1.543 1.00 63.24 H new ATOM 0 HE ARG A 87 1.539 -16.238 1.394 1.00 12.50 H new ATOM 0 HH11 ARG A 87 2.374 -12.815 1.927 1.00 23.44 H new ATOM 0 HH12 ARG A 87 4.085 -13.168 2.190 1.00 23.44 H new ATOM 0 HH21 ARG A 87 3.735 -16.628 1.651 1.00 74.44 H new ATOM 0 HH22 ARG A 87 4.847 -15.309 2.034 1.00 74.44 H new ATOM 1419 N LYS A 88 -0.201 -15.811 -3.963 1.00 21.11 N ATOM 1420 CA LYS A 88 -0.056 -16.960 -4.878 1.00 22.22 C ATOM 1421 C LYS A 88 0.095 -16.509 -6.344 1.00 22.25 C ATOM 1422 O LYS A 88 0.792 -17.170 -7.127 1.00 43.25 O ATOM 1423 CB LYS A 88 -1.249 -17.937 -4.690 1.00 71.10 C ATOM 1424 CG LYS A 88 -2.643 -17.353 -5.011 1.00 21.25 C ATOM 1425 CD LYS A 88 -3.807 -18.252 -4.519 1.00 25.03 C ATOM 1426 CE LYS A 88 -3.758 -19.671 -5.109 1.00 11.11 C ATOM 1427 NZ LYS A 88 -3.785 -19.667 -6.596 1.00 61.11 N ATOM 0 H LYS A 88 -1.148 -15.687 -3.606 1.00 21.11 H new ATOM 0 HA LYS A 88 0.863 -17.489 -4.626 1.00 22.22 H new ATOM 0 HB2 LYS A 88 -1.085 -18.809 -5.323 1.00 71.10 H new ATOM 0 HB3 LYS A 88 -1.250 -18.288 -3.658 1.00 71.10 H new ATOM 0 HG2 LYS A 88 -2.733 -16.369 -4.551 1.00 21.25 H new ATOM 0 HG3 LYS A 88 -2.732 -17.211 -6.088 1.00 21.25 H new ATOM 0 HD2 LYS A 88 -3.776 -18.315 -3.431 1.00 25.03 H new ATOM 0 HD3 LYS A 88 -4.756 -17.786 -4.784 1.00 25.03 H new ATOM 0 HE2 LYS A 88 -2.854 -20.173 -4.766 1.00 11.11 H new ATOM 0 HE3 LYS A 88 -4.604 -20.247 -4.734 1.00 11.11 H new ATOM 0 HZ1 LYS A 88 -3.784 -20.646 -6.946 1.00 61.11 H new ATOM 0 HZ2 LYS A 88 -4.644 -19.182 -6.926 1.00 61.11 H new ATOM 0 HZ3 LYS A 88 -2.946 -19.170 -6.957 1.00 61.11 H new ATOM 1441 N GLN A 89 -0.566 -15.390 -6.714 1.00 50.35 N ATOM 1442 CA GLN A 89 -0.419 -14.786 -8.055 1.00 11.34 C ATOM 1443 C GLN A 89 0.865 -13.939 -8.149 1.00 2.24 C ATOM 1444 O GLN A 89 1.526 -13.927 -9.193 1.00 60.21 O ATOM 1445 CB GLN A 89 -1.650 -13.908 -8.403 1.00 51.03 C ATOM 1446 CG GLN A 89 -2.987 -14.674 -8.486 1.00 43.40 C ATOM 1447 CD GLN A 89 -4.191 -13.776 -8.794 1.00 43.41 C ATOM 1448 OE1 GLN A 89 -4.069 -12.756 -9.478 1.00 24.23 O ATOM 1449 NE2 GLN A 89 -5.355 -14.134 -8.283 1.00 14.43 N ATOM 0 H GLN A 89 -1.207 -14.887 -6.101 1.00 50.35 H new ATOM 0 HA GLN A 89 -0.350 -15.603 -8.774 1.00 11.34 H new ATOM 0 HB2 GLN A 89 -1.743 -13.123 -7.652 1.00 51.03 H new ATOM 0 HB3 GLN A 89 -1.469 -13.416 -9.359 1.00 51.03 H new ATOM 0 HG2 GLN A 89 -2.910 -15.441 -9.257 1.00 43.40 H new ATOM 0 HG3 GLN A 89 -3.161 -15.189 -7.541 1.00 43.40 H new ATOM 0 HE21 GLN A 89 -5.426 -14.982 -7.721 1.00 14.43 H new ATOM 0 HE22 GLN A 89 -6.183 -13.562 -8.450 1.00 14.43 H new ATOM 1458 N TYR A 90 1.207 -13.222 -7.059 1.00 11.34 N ATOM 1459 CA TYR A 90 2.359 -12.295 -7.026 1.00 52.01 C ATOM 1460 C TYR A 90 3.291 -12.675 -5.845 1.00 53.24 C ATOM 1461 O TYR A 90 2.967 -12.394 -4.689 1.00 50.31 O ATOM 1462 CB TYR A 90 1.872 -10.822 -6.876 1.00 3.05 C ATOM 1463 CG TYR A 90 0.698 -10.408 -7.790 1.00 74.25 C ATOM 1464 CD1 TYR A 90 0.902 -10.093 -9.129 1.00 0.12 C ATOM 1465 CD2 TYR A 90 -0.615 -10.326 -7.301 1.00 32.52 C ATOM 1466 CE1 TYR A 90 -0.142 -9.710 -9.946 1.00 53.04 C ATOM 1467 CE2 TYR A 90 -1.665 -9.945 -8.120 1.00 42.54 C ATOM 1468 CZ TYR A 90 -1.424 -9.638 -9.441 1.00 43.35 C ATOM 1469 OH TYR A 90 -2.464 -9.263 -10.263 1.00 64.42 O ATOM 0 H TYR A 90 0.694 -13.268 -6.178 1.00 11.34 H new ATOM 0 HA TYR A 90 2.910 -12.377 -7.963 1.00 52.01 H new ATOM 0 HB2 TYR A 90 1.576 -10.661 -5.840 1.00 3.05 H new ATOM 0 HB3 TYR A 90 2.714 -10.159 -7.074 1.00 3.05 H new ATOM 0 HD1 TYR A 90 1.900 -10.149 -9.539 1.00 0.12 H new ATOM 0 HD2 TYR A 90 -0.810 -10.565 -6.266 1.00 32.52 H new ATOM 0 HE1 TYR A 90 0.045 -9.466 -10.982 1.00 53.04 H new ATOM 0 HE2 TYR A 90 -2.668 -9.889 -7.725 1.00 42.54 H new ATOM 0 HH TYR A 90 -3.196 -9.909 -10.179 1.00 64.42 H new ATOM 1479 N PRO A 91 4.440 -13.374 -6.100 1.00 62.11 N ATOM 1480 CA PRO A 91 5.407 -13.732 -5.028 1.00 43.13 C ATOM 1481 C PRO A 91 6.187 -12.521 -4.451 1.00 22.50 C ATOM 1482 O PRO A 91 6.393 -12.443 -3.233 1.00 30.02 O ATOM 1483 CB PRO A 91 6.361 -14.730 -5.736 1.00 64.51 C ATOM 1484 CG PRO A 91 6.280 -14.370 -7.189 1.00 33.04 C ATOM 1485 CD PRO A 91 4.851 -13.930 -7.421 1.00 12.31 C ATOM 0 HA PRO A 91 4.900 -14.142 -4.155 1.00 43.13 H new ATOM 0 HB2 PRO A 91 7.380 -14.637 -5.361 1.00 64.51 H new ATOM 0 HB3 PRO A 91 6.052 -15.761 -5.566 1.00 64.51 H new ATOM 0 HG2 PRO A 91 6.981 -13.572 -7.435 1.00 33.04 H new ATOM 0 HG3 PRO A 91 6.535 -15.222 -7.819 1.00 33.04 H new ATOM 0 HD2 PRO A 91 4.785 -13.181 -8.210 1.00 12.31 H new ATOM 0 HD3 PRO A 91 4.217 -14.765 -7.720 1.00 12.31 H new ATOM 1493 N LYS A 92 6.600 -11.577 -5.328 1.00 61.41 N ATOM 1494 CA LYS A 92 7.558 -10.500 -4.968 1.00 63.22 C ATOM 1495 C LYS A 92 6.933 -9.377 -4.116 1.00 5.33 C ATOM 1496 O LYS A 92 7.670 -8.574 -3.532 1.00 2.54 O ATOM 1497 CB LYS A 92 8.223 -9.903 -6.241 1.00 12.04 C ATOM 1498 CG LYS A 92 9.058 -10.919 -7.070 1.00 34.14 C ATOM 1499 CD LYS A 92 9.930 -10.246 -8.165 1.00 43.41 C ATOM 1500 CE LYS A 92 9.106 -9.455 -9.195 1.00 44.52 C ATOM 1501 NZ LYS A 92 8.137 -10.310 -9.923 1.00 43.12 N ATOM 0 H LYS A 92 6.283 -11.538 -6.297 1.00 61.41 H new ATOM 0 HA LYS A 92 8.319 -10.973 -4.347 1.00 63.22 H new ATOM 0 HB2 LYS A 92 7.445 -9.485 -6.880 1.00 12.04 H new ATOM 0 HB3 LYS A 92 8.870 -9.077 -5.944 1.00 12.04 H new ATOM 0 HG2 LYS A 92 9.703 -11.484 -6.397 1.00 34.14 H new ATOM 0 HG3 LYS A 92 8.384 -11.635 -7.541 1.00 34.14 H new ATOM 0 HD2 LYS A 92 10.645 -9.575 -7.689 1.00 43.41 H new ATOM 0 HD3 LYS A 92 10.507 -11.012 -8.682 1.00 43.41 H new ATOM 0 HE2 LYS A 92 8.569 -8.653 -8.688 1.00 44.52 H new ATOM 0 HE3 LYS A 92 9.780 -8.984 -9.911 1.00 44.52 H new ATOM 0 HZ1 LYS A 92 7.631 -9.738 -10.628 1.00 43.12 H new ATOM 0 HZ2 LYS A 92 8.645 -11.080 -10.402 1.00 43.12 H new ATOM 0 HZ3 LYS A 92 7.455 -10.712 -9.249 1.00 43.12 H new ATOM 1515 N VAL A 93 5.593 -9.312 -4.057 1.00 55.33 N ATOM 1516 CA VAL A 93 4.882 -8.316 -3.225 1.00 4.33 C ATOM 1517 C VAL A 93 4.929 -8.721 -1.736 1.00 32.54 C ATOM 1518 O VAL A 93 4.852 -9.910 -1.409 1.00 52.30 O ATOM 1519 CB VAL A 93 3.384 -8.137 -3.694 1.00 14.22 C ATOM 1520 CG1 VAL A 93 2.608 -9.463 -3.649 1.00 2.40 C ATOM 1521 CG2 VAL A 93 2.638 -7.056 -2.879 1.00 63.44 C ATOM 0 H VAL A 93 4.975 -9.937 -4.575 1.00 55.33 H new ATOM 0 HA VAL A 93 5.391 -7.360 -3.348 1.00 4.33 H new ATOM 0 HB VAL A 93 3.432 -7.801 -4.730 1.00 14.22 H new ATOM 0 HG11 VAL A 93 1.583 -9.296 -3.979 1.00 2.40 H new ATOM 0 HG12 VAL A 93 3.087 -10.188 -4.307 1.00 2.40 H new ATOM 0 HG13 VAL A 93 2.603 -9.847 -2.629 1.00 2.40 H new ATOM 0 HG21 VAL A 93 1.613 -6.971 -3.240 1.00 63.44 H new ATOM 0 HG22 VAL A 93 2.630 -7.336 -1.825 1.00 63.44 H new ATOM 0 HG23 VAL A 93 3.144 -6.098 -2.996 1.00 63.44 H new ATOM 1531 N GLU A 94 5.092 -7.735 -0.847 1.00 0.34 N ATOM 1532 CA GLU A 94 4.922 -7.931 0.603 1.00 54.12 C ATOM 1533 C GLU A 94 3.441 -7.825 0.943 1.00 52.51 C ATOM 1534 O GLU A 94 2.758 -6.948 0.431 1.00 1.01 O ATOM 1535 CB GLU A 94 5.751 -6.892 1.388 1.00 63.15 C ATOM 1536 CG GLU A 94 7.269 -7.102 1.273 1.00 62.34 C ATOM 1537 CD GLU A 94 7.728 -8.446 1.866 1.00 31.05 C ATOM 1538 OE1 GLU A 94 7.878 -9.432 1.106 1.00 2.34 O ATOM 1539 OE2 GLU A 94 7.927 -8.530 3.097 1.00 14.43 O ATOM 0 H GLU A 94 5.344 -6.782 -1.107 1.00 0.34 H new ATOM 0 HA GLU A 94 5.283 -8.919 0.888 1.00 54.12 H new ATOM 0 HB2 GLU A 94 5.502 -5.894 1.027 1.00 63.15 H new ATOM 0 HB3 GLU A 94 5.466 -6.931 2.439 1.00 63.15 H new ATOM 0 HG2 GLU A 94 7.560 -7.054 0.224 1.00 62.34 H new ATOM 0 HG3 GLU A 94 7.784 -6.289 1.784 1.00 62.34 H new ATOM 1546 N THR A 95 2.944 -8.733 1.789 1.00 1.23 N ATOM 1547 CA THR A 95 1.509 -8.839 2.092 1.00 72.14 C ATOM 1548 C THR A 95 1.287 -9.115 3.585 1.00 14.21 C ATOM 1549 O THR A 95 2.111 -9.771 4.235 1.00 21.45 O ATOM 1550 CB THR A 95 0.863 -9.986 1.239 1.00 41.44 C ATOM 1551 OG1 THR A 95 1.720 -11.136 1.262 1.00 63.21 O ATOM 1552 CG2 THR A 95 0.609 -9.574 -0.220 1.00 20.44 C ATOM 0 H THR A 95 3.521 -9.414 2.283 1.00 1.23 H new ATOM 0 HA THR A 95 1.035 -7.890 1.840 1.00 72.14 H new ATOM 0 HB THR A 95 -0.105 -10.213 1.686 1.00 41.44 H new ATOM 0 HG1 THR A 95 2.353 -11.087 0.515 1.00 63.21 H new ATOM 0 HG21 THR A 95 0.161 -10.408 -0.761 1.00 20.44 H new ATOM 0 HG22 THR A 95 -0.068 -8.720 -0.244 1.00 20.44 H new ATOM 0 HG23 THR A 95 1.554 -9.302 -0.691 1.00 20.44 H new ATOM 1560 N ARG A 96 0.178 -8.594 4.119 1.00 63.01 N ATOM 1561 CA ARG A 96 -0.262 -8.856 5.493 1.00 45.54 C ATOM 1562 C ARG A 96 -1.750 -8.516 5.613 1.00 54.12 C ATOM 1563 O ARG A 96 -2.203 -7.514 5.042 1.00 72.32 O ATOM 1564 CB ARG A 96 0.568 -8.026 6.523 1.00 4.24 C ATOM 1565 CG ARG A 96 0.131 -8.228 7.989 1.00 60.10 C ATOM 1566 CD ARG A 96 0.826 -7.279 8.981 1.00 21.42 C ATOM 1567 NE ARG A 96 0.273 -7.429 10.339 1.00 4.14 N ATOM 1568 CZ ARG A 96 0.231 -6.465 11.274 1.00 63.12 C ATOM 1569 NH1 ARG A 96 0.715 -5.252 11.030 1.00 0.20 N ATOM 1570 NH2 ARG A 96 -0.303 -6.718 12.447 1.00 3.44 N ATOM 0 H ARG A 96 -0.446 -7.972 3.604 1.00 63.01 H new ATOM 0 HA ARG A 96 -0.103 -9.911 5.718 1.00 45.54 H new ATOM 0 HB2 ARG A 96 1.620 -8.295 6.428 1.00 4.24 H new ATOM 0 HB3 ARG A 96 0.486 -6.968 6.272 1.00 4.24 H new ATOM 0 HG2 ARG A 96 -0.947 -8.086 8.060 1.00 60.10 H new ATOM 0 HG3 ARG A 96 0.337 -9.258 8.281 1.00 60.10 H new ATOM 0 HD2 ARG A 96 1.896 -7.485 8.997 1.00 21.42 H new ATOM 0 HD3 ARG A 96 0.705 -6.248 8.648 1.00 21.42 H new ATOM 0 HE ARG A 96 -0.110 -8.341 10.590 1.00 4.14 H new ATOM 0 HH11 ARG A 96 1.127 -5.041 10.121 1.00 0.20 H new ATOM 0 HH12 ARG A 96 0.675 -4.532 11.752 1.00 0.20 H new ATOM 0 HH21 ARG A 96 -0.684 -7.643 12.645 1.00 3.44 H new ATOM 0 HH22 ARG A 96 -0.337 -5.989 13.160 1.00 3.44 H new ATOM 1584 N ARG A 97 -2.513 -9.354 6.338 1.00 23.41 N ATOM 1585 CA ARG A 97 -3.890 -9.020 6.708 1.00 62.41 C ATOM 1586 C ARG A 97 -3.867 -7.877 7.740 1.00 75.21 C ATOM 1587 O ARG A 97 -3.125 -7.940 8.727 1.00 44.13 O ATOM 1588 CB ARG A 97 -4.651 -10.228 7.316 1.00 34.13 C ATOM 1589 CG ARG A 97 -6.157 -9.931 7.597 1.00 74.42 C ATOM 1590 CD ARG A 97 -6.722 -10.717 8.785 1.00 15.32 C ATOM 1591 NE ARG A 97 -6.076 -10.331 10.052 1.00 34.42 N ATOM 1592 CZ ARG A 97 -6.536 -10.616 11.281 1.00 44.12 C ATOM 1593 NH1 ARG A 97 -7.668 -11.305 11.456 1.00 31.13 N ATOM 1594 NH2 ARG A 97 -5.857 -10.190 12.330 1.00 42.32 N ATOM 0 H ARG A 97 -2.196 -10.263 6.676 1.00 23.41 H new ATOM 0 HA ARG A 97 -4.412 -8.723 5.799 1.00 62.41 H new ATOM 0 HB2 ARG A 97 -4.576 -11.076 6.635 1.00 34.13 H new ATOM 0 HB3 ARG A 97 -4.166 -10.523 8.247 1.00 34.13 H new ATOM 0 HG2 ARG A 97 -6.280 -8.864 7.785 1.00 74.42 H new ATOM 0 HG3 ARG A 97 -6.738 -10.167 6.706 1.00 74.42 H new ATOM 0 HD2 ARG A 97 -7.796 -10.545 8.857 1.00 15.32 H new ATOM 0 HD3 ARG A 97 -6.581 -11.784 8.615 1.00 15.32 H new ATOM 0 HE ARG A 97 -5.206 -9.803 9.990 1.00 34.42 H new ATOM 0 HH11 ARG A 97 -8.200 -11.625 10.647 1.00 31.13 H new ATOM 0 HH12 ARG A 97 -7.999 -11.511 12.399 1.00 31.13 H new ATOM 0 HH21 ARG A 97 -4.999 -9.654 12.199 1.00 42.32 H new ATOM 0 HH22 ARG A 97 -6.190 -10.396 13.272 1.00 42.32 H new ATOM 1608 N ALA A 98 -4.681 -6.854 7.507 1.00 35.21 N ATOM 1609 CA ALA A 98 -4.817 -5.721 8.418 1.00 3.10 C ATOM 1610 C ALA A 98 -6.285 -5.294 8.411 1.00 11.05 C ATOM 1611 O ALA A 98 -6.757 -4.693 7.439 1.00 4.43 O ATOM 1612 CB ALA A 98 -3.878 -4.587 7.979 1.00 2.24 C ATOM 0 H ALA A 98 -5.269 -6.786 6.676 1.00 35.21 H new ATOM 0 HA ALA A 98 -4.532 -5.990 9.435 1.00 3.10 H new ATOM 0 HB1 ALA A 98 -3.982 -3.743 8.661 1.00 2.24 H new ATOM 0 HB2 ALA A 98 -2.847 -4.941 7.995 1.00 2.24 H new ATOM 0 HB3 ALA A 98 -4.137 -4.271 6.969 1.00 2.24 H new ATOM 1618 N GLN A 99 -7.011 -5.641 9.485 1.00 45.42 N ATOM 1619 CA GLN A 99 -8.462 -5.401 9.582 1.00 45.34 C ATOM 1620 C GLN A 99 -8.733 -4.006 10.125 1.00 21.24 C ATOM 1621 O GLN A 99 -9.492 -3.232 9.528 1.00 32.51 O ATOM 1622 CB GLN A 99 -9.152 -6.484 10.455 1.00 4.42 C ATOM 1623 CG GLN A 99 -9.070 -7.905 9.862 1.00 22.53 C ATOM 1624 CD GLN A 99 -9.931 -8.938 10.592 1.00 52.24 C ATOM 1625 OE1 GLN A 99 -10.148 -8.861 11.802 1.00 20.23 O ATOM 1626 NE2 GLN A 99 -10.433 -9.911 9.858 1.00 55.24 N ATOM 0 H GLN A 99 -6.613 -6.094 10.308 1.00 45.42 H new ATOM 0 HA GLN A 99 -8.887 -5.468 8.580 1.00 45.34 H new ATOM 0 HB2 GLN A 99 -8.694 -6.486 11.444 1.00 4.42 H new ATOM 0 HB3 GLN A 99 -10.200 -6.216 10.589 1.00 4.42 H new ATOM 0 HG2 GLN A 99 -9.374 -7.869 8.816 1.00 22.53 H new ATOM 0 HG3 GLN A 99 -8.031 -8.235 9.881 1.00 22.53 H new ATOM 0 HE21 GLN A 99 -10.236 -9.949 8.858 1.00 55.24 H new ATOM 0 HE22 GLN A 99 -11.018 -10.626 10.290 1.00 55.24 H new ATOM 1635 N ASP A 100 -8.109 -3.702 11.261 1.00 33.51 N ATOM 1636 CA ASP A 100 -8.229 -2.391 11.894 1.00 41.41 C ATOM 1637 C ASP A 100 -7.091 -1.473 11.412 1.00 53.54 C ATOM 1638 O ASP A 100 -5.999 -1.943 11.069 1.00 5.25 O ATOM 1639 CB ASP A 100 -8.213 -2.533 13.441 1.00 22.20 C ATOM 1640 CG ASP A 100 -8.778 -1.286 14.144 1.00 12.13 C ATOM 1641 OD1 ASP A 100 -9.994 -1.262 14.450 1.00 43.01 O ATOM 1642 OD2 ASP A 100 -8.032 -0.315 14.364 1.00 75.34 O ATOM 0 H ASP A 100 -7.509 -4.354 11.766 1.00 33.51 H new ATOM 0 HA ASP A 100 -9.180 -1.942 11.609 1.00 41.41 H new ATOM 0 HB2 ASP A 100 -8.797 -3.407 13.730 1.00 22.20 H new ATOM 0 HB3 ASP A 100 -7.191 -2.706 13.778 1.00 22.20 H new ATOM 1647 N LYS A 101 -7.368 -0.162 11.416 1.00 64.02 N ATOM 1648 CA LYS A 101 -6.420 0.897 11.011 1.00 10.25 C ATOM 1649 C LYS A 101 -5.150 0.918 11.897 1.00 41.42 C ATOM 1650 O LYS A 101 -4.107 1.431 11.470 1.00 0.35 O ATOM 1651 CB LYS A 101 -7.163 2.267 10.992 1.00 44.41 C ATOM 1652 CG LYS A 101 -8.024 2.562 12.244 1.00 31.20 C ATOM 1653 CD LYS A 101 -8.986 3.762 12.038 1.00 22.34 C ATOM 1654 CE LYS A 101 -9.910 3.998 13.248 1.00 53.10 C ATOM 1655 NZ LYS A 101 -10.813 5.168 13.049 1.00 44.41 N ATOM 0 H LYS A 101 -8.275 0.204 11.706 1.00 64.02 H new ATOM 0 HA LYS A 101 -6.060 0.685 10.004 1.00 10.25 H new ATOM 0 HB2 LYS A 101 -6.425 3.062 10.881 1.00 44.41 H new ATOM 0 HB3 LYS A 101 -7.805 2.303 10.112 1.00 44.41 H new ATOM 0 HG2 LYS A 101 -8.605 1.675 12.498 1.00 31.20 H new ATOM 0 HG3 LYS A 101 -7.369 2.768 13.091 1.00 31.20 H new ATOM 0 HD2 LYS A 101 -8.402 4.663 11.851 1.00 22.34 H new ATOM 0 HD3 LYS A 101 -9.594 3.587 11.150 1.00 22.34 H new ATOM 0 HE2 LYS A 101 -10.509 3.105 13.425 1.00 53.10 H new ATOM 0 HE3 LYS A 101 -9.304 4.157 14.140 1.00 53.10 H new ATOM 0 HZ1 LYS A 101 -11.368 5.330 13.914 1.00 44.41 H new ATOM 0 HZ2 LYS A 101 -10.245 6.013 12.839 1.00 44.41 H new ATOM 0 HZ3 LYS A 101 -11.457 4.978 12.255 1.00 44.41 H new ATOM 1669 N GLU A 102 -5.248 0.319 13.102 1.00 72.30 N ATOM 1670 CA GLU A 102 -4.088 0.053 13.977 1.00 25.53 C ATOM 1671 C GLU A 102 -3.087 -0.886 13.279 1.00 31.23 C ATOM 1672 O GLU A 102 -1.911 -0.544 13.138 1.00 53.43 O ATOM 1673 CB GLU A 102 -4.552 -0.591 15.303 1.00 52.33 C ATOM 1674 CG GLU A 102 -5.362 0.332 16.229 1.00 65.24 C ATOM 1675 CD GLU A 102 -4.525 1.447 16.889 1.00 0.41 C ATOM 1676 OE1 GLU A 102 -3.687 1.130 17.760 1.00 33.32 O ATOM 1677 OE2 GLU A 102 -4.725 2.641 16.573 1.00 50.45 O ATOM 0 H GLU A 102 -6.135 0.006 13.496 1.00 72.30 H new ATOM 0 HA GLU A 102 -3.599 1.004 14.188 1.00 25.53 H new ATOM 0 HB2 GLU A 102 -5.156 -1.468 15.071 1.00 52.33 H new ATOM 0 HB3 GLU A 102 -3.674 -0.943 15.844 1.00 52.33 H new ATOM 0 HG2 GLU A 102 -6.169 0.788 15.655 1.00 65.24 H new ATOM 0 HG3 GLU A 102 -5.827 -0.270 17.010 1.00 65.24 H new ATOM 1684 N GLU A 103 -3.593 -2.057 12.830 1.00 70.34 N ATOM 1685 CA GLU A 103 -2.792 -3.097 12.143 1.00 32.54 C ATOM 1686 C GLU A 103 -2.150 -2.557 10.852 1.00 30.53 C ATOM 1687 O GLU A 103 -1.040 -2.966 10.484 1.00 42.44 O ATOM 1688 CB GLU A 103 -3.684 -4.316 11.778 1.00 41.14 C ATOM 1689 CG GLU A 103 -4.340 -5.051 12.960 1.00 33.02 C ATOM 1690 CD GLU A 103 -5.264 -6.195 12.494 1.00 51.23 C ATOM 1691 OE1 GLU A 103 -4.757 -7.263 12.072 1.00 13.34 O ATOM 1692 OE2 GLU A 103 -6.499 -6.032 12.538 1.00 60.04 O ATOM 0 H GLU A 103 -4.576 -2.309 12.935 1.00 70.34 H new ATOM 0 HA GLU A 103 -2.004 -3.400 12.832 1.00 32.54 H new ATOM 0 HB2 GLU A 103 -4.471 -3.976 11.105 1.00 41.14 H new ATOM 0 HB3 GLU A 103 -3.077 -5.031 11.223 1.00 41.14 H new ATOM 0 HG2 GLU A 103 -3.564 -5.455 13.610 1.00 33.02 H new ATOM 0 HG3 GLU A 103 -4.915 -4.340 13.553 1.00 33.02 H new ATOM 1699 N VAL A 104 -2.872 -1.647 10.175 1.00 72.31 N ATOM 1700 CA VAL A 104 -2.433 -1.068 8.901 1.00 72.34 C ATOM 1701 C VAL A 104 -1.205 -0.169 9.112 1.00 53.22 C ATOM 1702 O VAL A 104 -0.135 -0.451 8.573 1.00 65.21 O ATOM 1703 CB VAL A 104 -3.576 -0.248 8.208 1.00 35.51 C ATOM 1704 CG1 VAL A 104 -3.115 0.294 6.836 1.00 72.41 C ATOM 1705 CG2 VAL A 104 -4.866 -1.086 8.076 1.00 75.22 C ATOM 0 H VAL A 104 -3.773 -1.295 10.498 1.00 72.31 H new ATOM 0 HA VAL A 104 -2.167 -1.897 8.245 1.00 72.34 H new ATOM 0 HB VAL A 104 -3.805 0.607 8.844 1.00 35.51 H new ATOM 0 HG11 VAL A 104 -3.926 0.859 6.377 1.00 72.41 H new ATOM 0 HG12 VAL A 104 -2.252 0.945 6.973 1.00 72.41 H new ATOM 0 HG13 VAL A 104 -2.841 -0.539 6.189 1.00 72.41 H new ATOM 0 HG21 VAL A 104 -5.639 -0.490 7.592 1.00 75.22 H new ATOM 0 HG22 VAL A 104 -4.664 -1.974 7.476 1.00 75.22 H new ATOM 0 HG23 VAL A 104 -5.207 -1.387 9.066 1.00 75.22 H new ATOM 1715 N LYS A 105 -1.367 0.885 9.940 1.00 53.00 N ATOM 1716 CA LYS A 105 -0.314 1.903 10.159 1.00 10.03 C ATOM 1717 C LYS A 105 0.934 1.282 10.836 1.00 24.23 C ATOM 1718 O LYS A 105 2.065 1.737 10.615 1.00 11.42 O ATOM 1719 CB LYS A 105 -0.879 3.095 10.981 1.00 20.14 C ATOM 1720 CG LYS A 105 -1.259 2.759 12.438 1.00 72.24 C ATOM 1721 CD LYS A 105 -1.960 3.932 13.157 1.00 11.25 C ATOM 1722 CE LYS A 105 -2.222 3.641 14.641 1.00 53.32 C ATOM 1723 NZ LYS A 105 -2.912 4.776 15.314 1.00 72.13 N ATOM 0 H LYS A 105 -2.221 1.055 10.471 1.00 53.00 H new ATOM 0 HA LYS A 105 0.005 2.284 9.189 1.00 10.03 H new ATOM 0 HB2 LYS A 105 -0.138 3.895 10.990 1.00 20.14 H new ATOM 0 HB3 LYS A 105 -1.761 3.483 10.471 1.00 20.14 H new ATOM 0 HG2 LYS A 105 -1.915 1.889 12.446 1.00 72.24 H new ATOM 0 HG3 LYS A 105 -0.360 2.485 12.990 1.00 72.24 H new ATOM 0 HD2 LYS A 105 -1.345 4.827 13.069 1.00 11.25 H new ATOM 0 HD3 LYS A 105 -2.906 4.145 12.660 1.00 11.25 H new ATOM 0 HE2 LYS A 105 -2.829 2.741 14.733 1.00 53.32 H new ATOM 0 HE3 LYS A 105 -1.276 3.441 15.145 1.00 53.32 H new ATOM 0 HZ1 LYS A 105 -3.282 4.461 16.234 1.00 72.13 H new ATOM 0 HZ2 LYS A 105 -2.238 5.555 15.460 1.00 72.13 H new ATOM 0 HZ3 LYS A 105 -3.699 5.106 14.719 1.00 72.13 H new ATOM 1737 N ASP A 106 0.691 0.254 11.670 1.00 14.54 N ATOM 1738 CA ASP A 106 1.723 -0.640 12.229 1.00 73.31 C ATOM 1739 C ASP A 106 2.592 -1.258 11.114 1.00 15.50 C ATOM 1740 O ASP A 106 3.812 -1.060 11.089 1.00 72.03 O ATOM 1741 CB ASP A 106 1.006 -1.752 13.047 1.00 42.12 C ATOM 1742 CG ASP A 106 1.942 -2.832 13.624 1.00 60.23 C ATOM 1743 OD1 ASP A 106 2.278 -3.798 12.897 1.00 45.42 O ATOM 1744 OD2 ASP A 106 2.305 -2.746 14.813 1.00 14.52 O ATOM 0 H ASP A 106 -0.251 0.016 11.981 1.00 14.54 H new ATOM 0 HA ASP A 106 2.392 -0.070 12.874 1.00 73.31 H new ATOM 0 HB2 ASP A 106 0.461 -1.286 13.868 1.00 42.12 H new ATOM 0 HB3 ASP A 106 0.267 -2.235 12.408 1.00 42.12 H new ATOM 1749 N ALA A 107 1.928 -1.972 10.177 1.00 23.11 N ATOM 1750 CA ALA A 107 2.598 -2.705 9.083 1.00 11.23 C ATOM 1751 C ALA A 107 3.350 -1.750 8.148 1.00 44.41 C ATOM 1752 O ALA A 107 4.393 -2.116 7.585 1.00 42.32 O ATOM 1753 CB ALA A 107 1.574 -3.526 8.289 1.00 34.43 C ATOM 0 H ALA A 107 0.912 -2.055 10.160 1.00 23.11 H new ATOM 0 HA ALA A 107 3.327 -3.380 9.530 1.00 11.23 H new ATOM 0 HB1 ALA A 107 2.081 -4.061 7.486 1.00 34.43 H new ATOM 0 HB2 ALA A 107 1.089 -4.242 8.952 1.00 34.43 H new ATOM 0 HB3 ALA A 107 0.824 -2.859 7.864 1.00 34.43 H new ATOM 1759 N VAL A 108 2.799 -0.528 7.999 1.00 75.32 N ATOM 1760 CA VAL A 108 3.431 0.560 7.246 1.00 72.31 C ATOM 1761 C VAL A 108 4.805 0.875 7.854 1.00 34.33 C ATOM 1762 O VAL A 108 5.819 0.808 7.155 1.00 62.34 O ATOM 1763 CB VAL A 108 2.523 1.853 7.223 1.00 4.52 C ATOM 1764 CG1 VAL A 108 3.259 3.081 6.628 1.00 5.15 C ATOM 1765 CG2 VAL A 108 1.205 1.584 6.461 1.00 53.35 C ATOM 0 H VAL A 108 1.898 -0.273 8.402 1.00 75.32 H new ATOM 0 HA VAL A 108 3.559 0.235 6.213 1.00 72.31 H new ATOM 0 HB VAL A 108 2.286 2.094 8.259 1.00 4.52 H new ATOM 0 HG11 VAL A 108 2.592 3.943 6.635 1.00 5.15 H new ATOM 0 HG12 VAL A 108 4.143 3.301 7.227 1.00 5.15 H new ATOM 0 HG13 VAL A 108 3.560 2.863 5.603 1.00 5.15 H new ATOM 0 HG21 VAL A 108 0.596 2.488 6.458 1.00 53.35 H new ATOM 0 HG22 VAL A 108 1.431 1.295 5.435 1.00 53.35 H new ATOM 0 HG23 VAL A 108 0.658 0.779 6.953 1.00 53.35 H new ATOM 1775 N GLU A 109 4.820 1.139 9.180 1.00 3.33 N ATOM 1776 CA GLU A 109 6.045 1.511 9.909 1.00 35.04 C ATOM 1777 C GLU A 109 7.119 0.411 9.783 1.00 32.30 C ATOM 1778 O GLU A 109 8.281 0.713 9.522 1.00 0.00 O ATOM 1779 CB GLU A 109 5.740 1.778 11.408 1.00 1.54 C ATOM 1780 CG GLU A 109 6.953 2.305 12.217 1.00 73.21 C ATOM 1781 CD GLU A 109 6.750 2.386 13.745 1.00 75.41 C ATOM 1782 OE1 GLU A 109 5.693 1.964 14.262 1.00 65.12 O ATOM 1783 OE2 GLU A 109 7.682 2.838 14.439 1.00 65.45 O ATOM 0 H GLU A 109 3.987 1.100 9.768 1.00 3.33 H new ATOM 0 HA GLU A 109 6.428 2.427 9.460 1.00 35.04 H new ATOM 0 HB2 GLU A 109 4.928 2.501 11.479 1.00 1.54 H new ATOM 0 HB3 GLU A 109 5.385 0.854 11.866 1.00 1.54 H new ATOM 0 HG2 GLU A 109 7.809 1.661 12.016 1.00 73.21 H new ATOM 0 HG3 GLU A 109 7.208 3.299 11.849 1.00 73.21 H new ATOM 1790 N GLU A 110 6.695 -0.860 9.930 1.00 43.44 N ATOM 1791 CA GLU A 110 7.594 -2.040 9.857 1.00 35.14 C ATOM 1792 C GLU A 110 8.265 -2.166 8.472 1.00 51.31 C ATOM 1793 O GLU A 110 9.452 -2.510 8.370 1.00 62.15 O ATOM 1794 CB GLU A 110 6.803 -3.333 10.184 1.00 63.44 C ATOM 1795 CG GLU A 110 6.159 -3.346 11.586 1.00 0.42 C ATOM 1796 CD GLU A 110 7.179 -3.216 12.732 1.00 72.34 C ATOM 1797 OE1 GLU A 110 7.991 -4.148 12.920 1.00 72.45 O ATOM 1798 OE2 GLU A 110 7.166 -2.198 13.456 1.00 2.14 O ATOM 0 H GLU A 110 5.719 -1.103 10.103 1.00 43.44 H new ATOM 0 HA GLU A 110 8.383 -1.900 10.595 1.00 35.14 H new ATOM 0 HB2 GLU A 110 6.021 -3.465 9.436 1.00 63.44 H new ATOM 0 HB3 GLU A 110 7.474 -4.187 10.097 1.00 63.44 H new ATOM 0 HG2 GLU A 110 5.441 -2.529 11.655 1.00 0.42 H new ATOM 0 HG3 GLU A 110 5.600 -4.273 11.712 1.00 0.42 H new ATOM 1805 N PHE A 111 7.482 -1.860 7.426 1.00 22.43 N ATOM 1806 CA PHE A 111 7.936 -1.885 6.018 1.00 54.12 C ATOM 1807 C PHE A 111 8.975 -0.768 5.771 1.00 72.43 C ATOM 1808 O PHE A 111 9.897 -0.921 4.958 1.00 4.42 O ATOM 1809 CB PHE A 111 6.690 -1.711 5.102 1.00 74.42 C ATOM 1810 CG PHE A 111 6.898 -1.955 3.600 1.00 34.35 C ATOM 1811 CD1 PHE A 111 7.104 -3.243 3.109 1.00 4.34 C ATOM 1812 CD2 PHE A 111 6.845 -0.908 2.677 1.00 55.13 C ATOM 1813 CE1 PHE A 111 7.246 -3.471 1.753 1.00 74.41 C ATOM 1814 CE2 PHE A 111 6.995 -1.140 1.320 1.00 15.35 C ATOM 1815 CZ PHE A 111 7.196 -2.420 0.859 1.00 20.12 C ATOM 0 H PHE A 111 6.505 -1.585 7.530 1.00 22.43 H new ATOM 0 HA PHE A 111 8.421 -2.834 5.791 1.00 54.12 H new ATOM 0 HB2 PHE A 111 5.913 -2.390 5.452 1.00 74.42 H new ATOM 0 HB3 PHE A 111 6.311 -0.698 5.233 1.00 74.42 H new ATOM 0 HD1 PHE A 111 7.153 -4.074 3.797 1.00 4.34 H new ATOM 0 HD2 PHE A 111 6.684 0.101 3.028 1.00 55.13 H new ATOM 0 HE1 PHE A 111 7.397 -4.477 1.391 1.00 74.41 H new ATOM 0 HE2 PHE A 111 6.954 -0.316 0.624 1.00 15.35 H new ATOM 0 HZ PHE A 111 7.314 -2.602 -0.199 1.00 20.12 H new ATOM 1825 N LEU A 112 8.793 0.352 6.500 1.00 33.25 N ATOM 1826 CA LEU A 112 9.668 1.542 6.424 1.00 62.34 C ATOM 1827 C LEU A 112 10.930 1.399 7.289 1.00 51.35 C ATOM 1828 O LEU A 112 11.950 2.025 6.981 1.00 13.11 O ATOM 1829 CB LEU A 112 8.866 2.796 6.851 1.00 64.44 C ATOM 1830 CG LEU A 112 7.583 3.072 6.017 1.00 72.12 C ATOM 1831 CD1 LEU A 112 6.800 4.275 6.560 1.00 74.43 C ATOM 1832 CD2 LEU A 112 7.909 3.235 4.528 1.00 51.22 C ATOM 0 H LEU A 112 8.027 0.458 7.165 1.00 33.25 H new ATOM 0 HA LEU A 112 10.002 1.644 5.392 1.00 62.34 H new ATOM 0 HB2 LEU A 112 8.584 2.689 7.898 1.00 64.44 H new ATOM 0 HB3 LEU A 112 9.519 3.666 6.784 1.00 64.44 H new ATOM 0 HG LEU A 112 6.937 2.200 6.116 1.00 72.12 H new ATOM 0 HD11 LEU A 112 5.911 4.435 5.950 1.00 74.43 H new ATOM 0 HD12 LEU A 112 6.503 4.081 7.591 1.00 74.43 H new ATOM 0 HD13 LEU A 112 7.429 5.164 6.525 1.00 74.43 H new ATOM 0 HD21 LEU A 112 6.990 3.427 3.973 1.00 51.22 H new ATOM 0 HD22 LEU A 112 8.595 4.072 4.395 1.00 51.22 H new ATOM 0 HD23 LEU A 112 8.374 2.322 4.155 1.00 51.22 H new ATOM 1844 N LYS A 113 10.856 0.595 8.371 1.00 50.22 N ATOM 1845 CA LYS A 113 12.013 0.329 9.255 1.00 44.44 C ATOM 1846 C LYS A 113 13.136 -0.366 8.479 1.00 31.21 C ATOM 1847 O LYS A 113 14.313 -0.006 8.614 1.00 12.25 O ATOM 1848 CB LYS A 113 11.601 -0.535 10.480 1.00 1.43 C ATOM 1849 CG LYS A 113 10.702 0.184 11.508 1.00 41.12 C ATOM 1850 CD LYS A 113 10.417 -0.691 12.749 1.00 33.32 C ATOM 1851 CE LYS A 113 9.559 0.038 13.788 1.00 50.45 C ATOM 1852 NZ LYS A 113 10.227 1.252 14.328 1.00 61.04 N ATOM 0 H LYS A 113 10.002 0.116 8.655 1.00 50.22 H new ATOM 0 HA LYS A 113 12.376 1.290 9.621 1.00 44.44 H new ATOM 0 HB2 LYS A 113 11.080 -1.423 10.122 1.00 1.43 H new ATOM 0 HB3 LYS A 113 12.504 -0.877 10.985 1.00 1.43 H new ATOM 0 HG2 LYS A 113 11.182 1.111 11.822 1.00 41.12 H new ATOM 0 HG3 LYS A 113 9.759 0.458 11.035 1.00 41.12 H new ATOM 0 HD2 LYS A 113 9.910 -1.604 12.438 1.00 33.32 H new ATOM 0 HD3 LYS A 113 11.361 -0.990 13.205 1.00 33.32 H new ATOM 0 HE2 LYS A 113 8.609 0.321 13.335 1.00 50.45 H new ATOM 0 HE3 LYS A 113 9.331 -0.643 14.608 1.00 50.45 H new ATOM 0 HZ1 LYS A 113 10.360 1.148 15.354 1.00 61.04 H new ATOM 0 HZ2 LYS A 113 11.153 1.372 13.869 1.00 61.04 H new ATOM 0 HZ3 LYS A 113 9.636 2.087 14.138 1.00 61.04 H new ATOM 1866 N GLU A 114 12.757 -1.368 7.676 1.00 31.32 N ATOM 1867 CA GLU A 114 13.700 -2.072 6.790 1.00 54.34 C ATOM 1868 C GLU A 114 13.833 -1.332 5.446 1.00 75.41 C ATOM 1869 O GLU A 114 14.836 -1.501 4.739 1.00 63.14 O ATOM 1870 CB GLU A 114 13.245 -3.533 6.573 1.00 13.54 C ATOM 1871 CG GLU A 114 13.042 -4.338 7.884 1.00 43.44 C ATOM 1872 CD GLU A 114 12.953 -5.866 7.689 1.00 42.05 C ATOM 1873 OE1 GLU A 114 13.241 -6.610 8.657 1.00 52.32 O ATOM 1874 OE2 GLU A 114 12.637 -6.326 6.571 1.00 3.14 O ATOM 0 H GLU A 114 11.799 -1.713 7.620 1.00 31.32 H new ATOM 0 HA GLU A 114 14.681 -2.087 7.266 1.00 54.34 H new ATOM 0 HB2 GLU A 114 12.310 -3.531 6.013 1.00 13.54 H new ATOM 0 HB3 GLU A 114 13.985 -4.044 5.957 1.00 13.54 H new ATOM 0 HG2 GLU A 114 13.867 -4.118 8.562 1.00 43.44 H new ATOM 0 HG3 GLU A 114 12.130 -3.993 8.370 1.00 43.44 H new ATOM 1881 N GLY A 115 12.813 -0.508 5.122 1.00 3.34 N ATOM 1882 CA GLY A 115 12.800 0.306 3.906 1.00 54.51 C ATOM 1883 C GLY A 115 12.773 -0.519 2.627 1.00 2.23 C ATOM 1884 O GLY A 115 13.352 -0.124 1.610 1.00 2.41 O ATOM 0 H GLY A 115 11.981 -0.395 5.701 1.00 3.34 H new ATOM 0 HA2 GLY A 115 11.929 0.961 3.925 1.00 54.51 H new ATOM 0 HA3 GLY A 115 13.681 0.947 3.897 1.00 54.51 H new ATOM 1888 N GLY A 116 12.078 -1.665 2.680 1.00 15.31 N ATOM 1889 CA GLY A 116 12.046 -2.594 1.558 1.00 10.31 C ATOM 1890 C GLY A 116 11.042 -3.708 1.760 1.00 3.31 C ATOM 1891 O GLY A 116 10.263 -4.018 0.857 1.00 14.35 O ATOM 0 H GLY A 116 11.534 -1.964 3.489 1.00 15.31 H new ATOM 0 HA2 GLY A 116 11.802 -2.050 0.646 1.00 10.31 H new ATOM 0 HA3 GLY A 116 13.038 -3.024 1.417 1.00 10.31 H new ATOM 1895 N SER A 117 11.046 -4.307 2.961 1.00 60.34 N ATOM 1896 CA SER A 117 10.187 -5.460 3.267 1.00 71.42 C ATOM 1897 C SER A 117 9.714 -5.425 4.729 1.00 52.25 C ATOM 1898 O SER A 117 10.129 -4.559 5.509 1.00 51.21 O ATOM 1899 CB SER A 117 10.951 -6.772 2.955 1.00 63.51 C ATOM 1900 OG SER A 117 12.144 -6.880 3.712 1.00 71.14 O ATOM 0 H SER A 117 11.637 -4.010 3.738 1.00 60.34 H new ATOM 0 HA SER A 117 9.296 -5.414 2.640 1.00 71.42 H new ATOM 0 HB2 SER A 117 10.308 -7.626 3.167 1.00 63.51 H new ATOM 0 HB3 SER A 117 11.190 -6.809 1.892 1.00 63.51 H new ATOM 0 HG SER A 117 11.938 -6.774 4.664 1.00 71.14 H new ATOM 1906 N LEU A 118 8.811 -6.362 5.061 1.00 21.22 N ATOM 1907 CA LEU A 118 8.357 -6.604 6.438 1.00 31.33 C ATOM 1908 C LEU A 118 9.404 -7.436 7.194 1.00 65.42 C ATOM 1909 O LEU A 118 10.221 -8.132 6.572 1.00 63.24 O ATOM 1910 CB LEU A 118 7.002 -7.358 6.428 1.00 52.13 C ATOM 1911 CG LEU A 118 5.818 -6.629 5.724 1.00 32.04 C ATOM 1912 CD1 LEU A 118 4.575 -7.547 5.639 1.00 50.12 C ATOM 1913 CD2 LEU A 118 5.489 -5.285 6.420 1.00 21.24 C ATOM 0 H LEU A 118 8.373 -6.977 4.375 1.00 21.22 H new ATOM 0 HA LEU A 118 8.227 -5.645 6.939 1.00 31.33 H new ATOM 0 HB2 LEU A 118 7.149 -8.322 5.942 1.00 52.13 H new ATOM 0 HB3 LEU A 118 6.715 -7.562 7.460 1.00 52.13 H new ATOM 0 HG LEU A 118 6.126 -6.396 4.705 1.00 32.04 H new ATOM 0 HD11 LEU A 118 3.763 -7.015 5.144 1.00 50.12 H new ATOM 0 HD12 LEU A 118 4.823 -8.443 5.069 1.00 50.12 H new ATOM 0 HD13 LEU A 118 4.263 -7.831 6.644 1.00 50.12 H new ATOM 0 HD21 LEU A 118 4.659 -4.802 5.905 1.00 21.24 H new ATOM 0 HD22 LEU A 118 5.213 -5.471 7.458 1.00 21.24 H new ATOM 0 HD23 LEU A 118 6.363 -4.635 6.388 1.00 21.24 H new ATOM 1925 N GLU A 119 9.345 -7.366 8.528 1.00 51.52 N ATOM 1926 CA GLU A 119 10.243 -8.096 9.425 1.00 53.22 C ATOM 1927 C GLU A 119 10.004 -9.623 9.334 1.00 55.01 C ATOM 1928 O GLU A 119 8.862 -10.091 9.482 1.00 54.33 O ATOM 1929 CB GLU A 119 10.019 -7.574 10.867 1.00 64.33 C ATOM 1930 CG GLU A 119 10.895 -8.229 11.953 1.00 23.01 C ATOM 1931 CD GLU A 119 10.533 -7.763 13.371 1.00 53.31 C ATOM 1932 OE1 GLU A 119 9.610 -8.349 13.982 1.00 52.03 O ATOM 1933 OE2 GLU A 119 11.161 -6.808 13.879 1.00 1.23 O ATOM 0 H GLU A 119 8.661 -6.792 9.021 1.00 51.52 H new ATOM 0 HA GLU A 119 11.279 -7.925 9.131 1.00 53.22 H new ATOM 0 HB2 GLU A 119 10.200 -6.499 10.878 1.00 64.33 H new ATOM 0 HB3 GLU A 119 8.972 -7.723 11.130 1.00 64.33 H new ATOM 0 HG2 GLU A 119 10.790 -9.312 11.894 1.00 23.01 H new ATOM 0 HG3 GLU A 119 11.942 -7.999 11.756 1.00 23.01 H new ATOM 1940 N HIS A 120 11.092 -10.391 9.090 1.00 5.24 N ATOM 1941 CA HIS A 120 11.067 -11.873 9.032 1.00 60.10 C ATOM 1942 C HIS A 120 11.086 -12.463 10.470 1.00 74.21 C ATOM 1943 O HIS A 120 11.978 -13.226 10.857 1.00 23.44 O ATOM 1944 CB HIS A 120 12.264 -12.375 8.164 1.00 60.41 C ATOM 1945 CG HIS A 120 12.320 -13.868 7.917 1.00 11.21 C ATOM 1946 ND1 HIS A 120 11.493 -14.525 7.030 1.00 1.12 N ATOM 1947 CD2 HIS A 120 13.106 -14.832 8.466 1.00 74.03 C ATOM 1948 CE1 HIS A 120 11.770 -15.816 7.045 1.00 71.31 C ATOM 1949 NE2 HIS A 120 12.739 -16.024 7.906 1.00 5.14 N ATOM 0 H HIS A 120 12.019 -9.997 8.927 1.00 5.24 H new ATOM 0 HA HIS A 120 10.147 -12.218 8.560 1.00 60.10 H new ATOM 0 HB2 HIS A 120 12.227 -11.868 7.200 1.00 60.41 H new ATOM 0 HB3 HIS A 120 13.192 -12.071 8.648 1.00 60.41 H new ATOM 0 HD2 HIS A 120 13.877 -14.684 9.207 1.00 74.03 H new ATOM 0 HE1 HIS A 120 11.282 -16.573 6.449 1.00 71.31 H new ATOM 0 HE2 HIS A 120 13.152 -16.931 8.123 1.00 5.14 H new ATOM 1958 N HIS A 121 10.089 -12.058 11.263 1.00 10.14 N ATOM 1959 CA HIS A 121 9.891 -12.514 12.651 1.00 51.44 C ATOM 1960 C HIS A 121 8.392 -12.486 12.959 1.00 3.33 C ATOM 1961 O HIS A 121 7.820 -13.477 13.411 1.00 15.11 O ATOM 1962 CB HIS A 121 10.665 -11.626 13.676 1.00 35.30 C ATOM 1963 CG HIS A 121 12.163 -11.812 13.684 1.00 13.54 C ATOM 1964 ND1 HIS A 121 12.781 -12.836 14.361 1.00 11.22 N ATOM 1965 CD2 HIS A 121 13.160 -11.124 13.069 1.00 72.03 C ATOM 1966 CE1 HIS A 121 14.079 -12.772 14.166 1.00 3.44 C ATOM 1967 NE2 HIS A 121 14.337 -11.746 13.386 1.00 33.41 N ATOM 0 H HIS A 121 9.381 -11.391 10.956 1.00 10.14 H new ATOM 0 HA HIS A 121 10.285 -13.526 12.746 1.00 51.44 H new ATOM 0 HB2 HIS A 121 10.446 -10.579 13.464 1.00 35.30 H new ATOM 0 HB3 HIS A 121 10.283 -11.836 14.675 1.00 35.30 H new ATOM 0 HD2 HIS A 121 13.045 -10.249 12.446 1.00 72.03 H new ATOM 0 HE1 HIS A 121 14.812 -13.450 14.578 1.00 3.44 H new ATOM 0 HE2 HIS A 121 15.263 -11.460 13.069 1.00 33.41 H new ATOM 1976 N HIS A 122 7.756 -11.339 12.662 1.00 74.31 N ATOM 1977 CA HIS A 122 6.323 -11.116 12.944 1.00 62.41 C ATOM 1978 C HIS A 122 5.443 -11.506 11.726 1.00 15.53 C ATOM 1979 O HIS A 122 4.255 -11.181 11.686 1.00 65.53 O ATOM 1980 CB HIS A 122 6.106 -9.625 13.357 1.00 23.23 C ATOM 1981 CG HIS A 122 4.778 -9.332 14.025 1.00 64.22 C ATOM 1982 ND1 HIS A 122 4.574 -9.489 15.377 1.00 44.43 N ATOM 1983 CD2 HIS A 122 3.583 -8.927 13.518 1.00 12.23 C ATOM 1984 CE1 HIS A 122 3.321 -9.202 15.669 1.00 23.23 C ATOM 1985 NE2 HIS A 122 2.698 -8.859 14.560 1.00 53.23 N ATOM 0 H HIS A 122 8.217 -10.543 12.222 1.00 74.31 H new ATOM 0 HA HIS A 122 6.016 -11.757 13.770 1.00 62.41 H new ATOM 0 HB2 HIS A 122 6.908 -9.331 14.033 1.00 23.23 H new ATOM 0 HB3 HIS A 122 6.194 -9.001 12.468 1.00 23.23 H new ATOM 0 HD2 HIS A 122 3.371 -8.701 12.483 1.00 12.23 H new ATOM 0 HE1 HIS A 122 2.879 -9.241 16.654 1.00 23.23 H new ATOM 0 HE2 HIS A 122 1.717 -8.587 14.489 1.00 53.23 H new ATOM 1994 N HIS A 123 6.018 -12.250 10.753 1.00 4.52 N ATOM 1995 CA HIS A 123 5.282 -12.682 9.538 1.00 71.24 C ATOM 1996 C HIS A 123 4.119 -13.643 9.876 1.00 12.11 C ATOM 1997 O HIS A 123 3.194 -13.815 9.071 1.00 44.41 O ATOM 1998 CB HIS A 123 6.232 -13.342 8.509 1.00 61.52 C ATOM 1999 CG HIS A 123 5.538 -13.728 7.219 1.00 51.40 C ATOM 2000 ND1 HIS A 123 5.333 -15.032 6.822 1.00 32.33 N ATOM 2001 CD2 HIS A 123 4.944 -12.961 6.275 1.00 22.31 C ATOM 2002 CE1 HIS A 123 4.643 -15.045 5.698 1.00 25.10 C ATOM 2003 NE2 HIS A 123 4.392 -13.804 5.343 1.00 43.24 N ATOM 0 H HIS A 123 6.988 -12.564 10.784 1.00 4.52 H new ATOM 0 HA HIS A 123 4.857 -11.781 9.095 1.00 71.24 H new ATOM 0 HB2 HIS A 123 7.047 -12.655 8.284 1.00 61.52 H new ATOM 0 HB3 HIS A 123 6.678 -14.231 8.954 1.00 61.52 H new ATOM 0 HD2 HIS A 123 4.910 -11.882 6.258 1.00 22.31 H new ATOM 0 HE1 HIS A 123 4.335 -15.929 5.159 1.00 25.10 H new ATOM 0 HE2 HIS A 123 3.873 -13.516 4.513 1.00 43.24 H new ATOM 2012 N HIS A 124 4.191 -14.268 11.060 1.00 43.32 N ATOM 2013 CA HIS A 124 3.105 -15.092 11.603 1.00 32.14 C ATOM 2014 C HIS A 124 1.803 -14.275 11.684 1.00 64.42 C ATOM 2015 O HIS A 124 1.785 -13.192 12.286 1.00 64.44 O ATOM 2016 CB HIS A 124 3.500 -15.616 13.001 1.00 70.21 C ATOM 2017 CG HIS A 124 2.431 -16.409 13.716 1.00 55.12 C ATOM 2018 ND1 HIS A 124 2.195 -17.741 13.470 1.00 24.25 N ATOM 2019 CD2 HIS A 124 1.531 -16.042 14.663 1.00 33.13 C ATOM 2020 CE1 HIS A 124 1.212 -18.162 14.240 1.00 60.22 C ATOM 2021 NE2 HIS A 124 0.792 -17.152 14.967 1.00 14.40 N ATOM 0 H HIS A 124 5.008 -14.215 11.669 1.00 43.32 H new ATOM 0 HA HIS A 124 2.936 -15.941 10.940 1.00 32.14 H new ATOM 0 HB2 HIS A 124 4.387 -16.241 12.900 1.00 70.21 H new ATOM 0 HB3 HIS A 124 3.778 -14.766 13.625 1.00 70.21 H new ATOM 0 HD2 HIS A 124 1.419 -15.059 15.095 1.00 33.13 H new ATOM 0 HE1 HIS A 124 0.818 -19.167 14.268 1.00 60.22 H new ATOM 0 HE2 HIS A 124 0.035 -17.189 15.650 1.00 14.40 H new ATOM 2030 N HIS A 125 0.743 -14.793 11.041 1.00 45.14 N ATOM 2031 CA HIS A 125 -0.594 -14.187 11.062 1.00 41.41 C ATOM 2032 C HIS A 125 -1.152 -14.170 12.507 1.00 60.03 C ATOM 2033 O HIS A 125 -1.348 -15.263 13.086 1.00 75.32 O ATOM 2034 CB HIS A 125 -1.556 -14.957 10.116 1.00 34.11 C ATOM 2035 CG HIS A 125 -2.953 -14.390 10.081 1.00 62.52 C ATOM 2036 ND1 HIS A 125 -3.857 -14.563 11.104 1.00 22.32 N ATOM 2037 CD2 HIS A 125 -3.586 -13.623 9.162 1.00 1.50 C ATOM 2038 CE1 HIS A 125 -4.968 -13.933 10.819 1.00 21.20 C ATOM 2039 NE2 HIS A 125 -4.838 -13.355 9.647 1.00 12.34 N ATOM 2040 OXT HIS A 125 -1.406 -13.072 13.044 1.00 37.57 O ATOM 0 H HIS A 125 0.793 -15.649 10.489 1.00 45.14 H new ATOM 0 HA HIS A 125 -0.515 -13.159 10.708 1.00 41.41 H new ATOM 0 HB2 HIS A 125 -1.144 -14.948 9.107 1.00 34.11 H new ATOM 0 HB3 HIS A 125 -1.604 -15.999 10.431 1.00 34.11 H new ATOM 0 HD1 HIS A 125 -3.687 -15.100 11.954 1.00 22.32 H new ATOM 0 HD2 HIS A 125 -3.179 -13.285 8.221 1.00 1.50 H new ATOM 0 HE1 HIS A 125 -5.847 -13.895 11.445 1.00 21.20 H new TER 2049 HIS A 125