USER MOD reduce.3.24.130724 H: found=0, std=0, add=1061, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1061 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 126 SER OG : rot 105:sc= 0.207 USER MOD Set 1.2: A 128 SER OG : rot -150:sc= 0.252 USER MOD Set 2.1: A 74 GLN : amide:sc= -1.27 K(o=-1.1,f=-2.3!) USER MOD Set 2.2: A 104 TYR OH : rot -75:sc= 0.135 USER MOD Single : A 9 THR OG1 : rot 114:sc= -1.14 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -1.1 K(o=-1.1,f=-0.016) USER MOD Single : A 24 LYS NZ :NH3+ 167:sc= 0.803 (180deg=0.686) USER MOD Single : A 25 HIS : no HD1:sc= -0.382 X(o=-0.38,f=-0.009) USER MOD Single : A 28 ASN : amide:sc= 0.738 K(o=0.74,f=-4.5!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 37:sc= 0.295 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.103) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -113:sc= 0.362 (180deg=0.268) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.0787 X(o=-0.079,f=-0.014) USER MOD Single : A 67 LYS NZ :NH3+ -106:sc= 1.13 (180deg=-0.0762) USER MOD Single : A 72 TYR OH : rot -61:sc= 0.00869 USER MOD Single : A 75 LYS NZ :NH3+ -137:sc= 0.759 (180deg=-0.212) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00887) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -133:sc= 0.755 (180deg=0.0399) USER MOD Single : A 100 LYS NZ :NH3+ -167:sc=-0.00771 (180deg=-0.185) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ -136:sc= 0.0988 (180deg=-0.564) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 41:sc= 0.0218 USER MOD Single : A 109 SER OG : rot -4:sc= 0.0985 USER MOD Single : A 111 ASN : amide:sc= -1.08 K(o=-1.1,f=-4.9!) USER MOD Single : A 116 LYS NZ :NH3+ -129:sc= 0.125 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0.597 (180deg=0.597) USER MOD Single : A 118 LYS NZ :NH3+ -122:sc= 0.842 (180deg=-0.0758) USER MOD Single : A 120 LYS NZ :NH3+ -158:sc= 0.749 (180deg=0.456) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 5.152 -1.129 13.099 1.00 14.54 N ATOM 21 CA GLY A 2 4.991 -1.754 11.790 1.00 1.02 C ATOM 22 C GLY A 2 3.709 -1.278 11.115 1.00 55.31 C ATOM 23 O GLY A 2 2.663 -1.176 11.773 1.00 34.55 O ATOM 0 HA2 GLY A 2 5.848 -1.516 11.161 1.00 1.02 H new ATOM 0 HA3 GLY A 2 4.968 -2.838 11.900 1.00 1.02 H new ATOM 27 N VAL A 3 3.790 -0.951 9.813 1.00 3.11 N ATOM 28 CA VAL A 3 2.666 -0.393 9.024 1.00 54.25 C ATOM 29 C VAL A 3 2.721 -0.972 7.602 1.00 74.22 C ATOM 30 O VAL A 3 3.754 -0.908 6.956 1.00 23.22 O ATOM 31 CB VAL A 3 2.742 1.194 8.978 1.00 51.10 C ATOM 32 CG1 VAL A 3 1.804 1.822 7.913 1.00 2.30 C ATOM 33 CG2 VAL A 3 2.454 1.795 10.377 1.00 15.23 C ATOM 0 H VAL A 3 4.645 -1.066 9.269 1.00 3.11 H new ATOM 0 HA VAL A 3 1.723 -0.668 9.497 1.00 54.25 H new ATOM 0 HB VAL A 3 3.760 1.444 8.680 1.00 51.10 H new ATOM 0 HG11 VAL A 3 1.905 2.907 7.934 1.00 2.30 H new ATOM 0 HG12 VAL A 3 2.076 1.452 6.925 1.00 2.30 H new ATOM 0 HG13 VAL A 3 0.772 1.549 8.131 1.00 2.30 H new ATOM 0 HG21 VAL A 3 2.511 2.882 10.325 1.00 15.23 H new ATOM 0 HG22 VAL A 3 1.457 1.499 10.702 1.00 15.23 H new ATOM 0 HG23 VAL A 3 3.192 1.427 11.090 1.00 15.23 H new ATOM 43 N VAL A 4 1.615 -1.552 7.112 1.00 65.24 N ATOM 44 CA VAL A 4 1.582 -2.131 5.756 1.00 75.12 C ATOM 45 C VAL A 4 0.739 -1.230 4.838 1.00 15.03 C ATOM 46 O VAL A 4 -0.474 -1.118 4.999 1.00 3.13 O ATOM 47 CB VAL A 4 1.022 -3.598 5.772 1.00 13.40 C ATOM 48 CG1 VAL A 4 1.051 -4.232 4.364 1.00 22.21 C ATOM 49 CG2 VAL A 4 1.800 -4.463 6.791 1.00 30.54 C ATOM 0 H VAL A 4 0.738 -1.633 7.627 1.00 65.24 H new ATOM 0 HA VAL A 4 2.601 -2.182 5.372 1.00 75.12 H new ATOM 0 HB VAL A 4 -0.021 -3.556 6.084 1.00 13.40 H new ATOM 0 HG11 VAL A 4 0.656 -5.247 4.414 1.00 22.21 H new ATOM 0 HG12 VAL A 4 0.440 -3.638 3.685 1.00 22.21 H new ATOM 0 HG13 VAL A 4 2.078 -4.260 3.998 1.00 22.21 H new ATOM 0 HG21 VAL A 4 1.399 -5.477 6.789 1.00 30.54 H new ATOM 0 HG22 VAL A 4 2.854 -4.490 6.516 1.00 30.54 H new ATOM 0 HG23 VAL A 4 1.696 -4.033 7.787 1.00 30.54 H new ATOM 59 N ILE A 5 1.421 -0.595 3.882 1.00 2.01 N ATOM 60 CA ILE A 5 0.826 0.339 2.926 1.00 41.11 C ATOM 61 C ILE A 5 0.595 -0.387 1.581 1.00 1.42 C ATOM 62 O ILE A 5 1.543 -0.691 0.869 1.00 35.45 O ATOM 63 CB ILE A 5 1.779 1.583 2.729 1.00 34.20 C ATOM 64 CG1 ILE A 5 2.131 2.228 4.113 1.00 50.43 C ATOM 65 CG2 ILE A 5 1.164 2.624 1.760 1.00 50.25 C ATOM 66 CD1 ILE A 5 3.191 3.313 4.074 1.00 22.03 C ATOM 0 H ILE A 5 2.425 -0.719 3.749 1.00 2.01 H new ATOM 0 HA ILE A 5 -0.131 0.696 3.306 1.00 41.11 H new ATOM 0 HB ILE A 5 2.704 1.230 2.273 1.00 34.20 H new ATOM 0 HG12 ILE A 5 1.221 2.648 4.541 1.00 50.43 H new ATOM 0 HG13 ILE A 5 2.466 1.440 4.787 1.00 50.43 H new ATOM 0 HG21 ILE A 5 1.847 3.466 1.649 1.00 50.25 H new ATOM 0 HG22 ILE A 5 0.997 2.161 0.787 1.00 50.25 H new ATOM 0 HG23 ILE A 5 0.215 2.978 2.161 1.00 50.25 H new ATOM 0 HD11 ILE A 5 3.360 3.693 5.082 1.00 22.03 H new ATOM 0 HD12 ILE A 5 4.120 2.900 3.681 1.00 22.03 H new ATOM 0 HD13 ILE A 5 2.855 4.127 3.431 1.00 22.03 H new ATOM 78 N LEU A 6 -0.670 -0.660 1.243 1.00 33.42 N ATOM 79 CA LEU A 6 -1.050 -1.375 0.013 1.00 41.12 C ATOM 80 C LEU A 6 -1.420 -0.358 -1.066 1.00 53.42 C ATOM 81 O LEU A 6 -2.516 0.207 -1.038 1.00 45.22 O ATOM 82 CB LEU A 6 -2.269 -2.287 0.322 1.00 31.54 C ATOM 83 CG LEU A 6 -2.117 -3.205 1.560 1.00 33.01 C ATOM 84 CD1 LEU A 6 -3.433 -3.917 1.903 1.00 61.23 C ATOM 85 CD2 LEU A 6 -0.974 -4.195 1.355 1.00 42.12 C ATOM 0 H LEU A 6 -1.468 -0.390 1.818 1.00 33.42 H new ATOM 0 HA LEU A 6 -0.219 -1.985 -0.342 1.00 41.12 H new ATOM 0 HB2 LEU A 6 -3.146 -1.656 0.465 1.00 31.54 H new ATOM 0 HB3 LEU A 6 -2.464 -2.911 -0.550 1.00 31.54 H new ATOM 0 HG LEU A 6 -1.868 -2.578 2.416 1.00 33.01 H new ATOM 0 HD11 LEU A 6 -3.286 -4.552 2.777 1.00 61.23 H new ATOM 0 HD12 LEU A 6 -4.202 -3.176 2.118 1.00 61.23 H new ATOM 0 HD13 LEU A 6 -3.746 -4.530 1.058 1.00 61.23 H new ATOM 0 HD21 LEU A 6 -0.882 -4.832 2.235 1.00 42.12 H new ATOM 0 HD22 LEU A 6 -1.180 -4.812 0.480 1.00 42.12 H new ATOM 0 HD23 LEU A 6 -0.043 -3.649 1.203 1.00 42.12 H new ATOM 97 N VAL A 7 -0.512 -0.108 -2.009 1.00 60.21 N ATOM 98 CA VAL A 7 -0.744 0.856 -3.090 1.00 52.22 C ATOM 99 C VAL A 7 -1.200 0.116 -4.356 1.00 41.15 C ATOM 100 O VAL A 7 -0.393 -0.537 -5.022 1.00 51.24 O ATOM 101 CB VAL A 7 0.534 1.732 -3.368 1.00 22.14 C ATOM 102 CG1 VAL A 7 0.268 2.810 -4.445 1.00 23.15 C ATOM 103 CG2 VAL A 7 1.030 2.374 -2.060 1.00 61.14 C ATOM 0 H VAL A 7 0.400 -0.563 -2.048 1.00 60.21 H new ATOM 0 HA VAL A 7 -1.534 1.540 -2.780 1.00 52.22 H new ATOM 0 HB VAL A 7 1.313 1.076 -3.757 1.00 22.14 H new ATOM 0 HG11 VAL A 7 1.174 3.393 -4.608 1.00 23.15 H new ATOM 0 HG12 VAL A 7 -0.026 2.328 -5.377 1.00 23.15 H new ATOM 0 HG13 VAL A 7 -0.532 3.470 -4.110 1.00 23.15 H new ATOM 0 HG21 VAL A 7 1.914 2.978 -2.264 1.00 61.14 H new ATOM 0 HG22 VAL A 7 0.246 3.007 -1.645 1.00 61.14 H new ATOM 0 HG23 VAL A 7 1.282 1.592 -1.343 1.00 61.14 H new ATOM 113 N LEU A 8 -2.509 0.222 -4.668 1.00 4.15 N ATOM 114 CA LEU A 8 -3.111 -0.409 -5.846 1.00 24.14 C ATOM 115 C LEU A 8 -2.995 0.549 -7.047 1.00 74.11 C ATOM 116 O LEU A 8 -3.815 1.445 -7.205 1.00 41.40 O ATOM 117 CB LEU A 8 -4.614 -0.764 -5.584 1.00 33.40 C ATOM 118 CG LEU A 8 -4.911 -1.972 -4.631 1.00 71.40 C ATOM 119 CD1 LEU A 8 -4.528 -1.682 -3.165 1.00 74.42 C ATOM 120 CD2 LEU A 8 -6.389 -2.421 -4.760 1.00 64.52 C ATOM 0 H LEU A 8 -3.174 0.751 -4.104 1.00 4.15 H new ATOM 0 HA LEU A 8 -2.579 -1.336 -6.061 1.00 24.14 H new ATOM 0 HB2 LEU A 8 -5.102 0.119 -5.172 1.00 33.40 H new ATOM 0 HB3 LEU A 8 -5.085 -0.969 -6.545 1.00 33.40 H new ATOM 0 HG LEU A 8 -4.275 -2.797 -4.950 1.00 71.40 H new ATOM 0 HD11 LEU A 8 -4.756 -2.553 -2.550 1.00 74.42 H new ATOM 0 HD12 LEU A 8 -3.462 -1.463 -3.104 1.00 74.42 H new ATOM 0 HD13 LEU A 8 -5.096 -0.825 -2.803 1.00 74.42 H new ATOM 0 HD21 LEU A 8 -6.574 -3.261 -4.090 1.00 64.52 H new ATOM 0 HD22 LEU A 8 -7.045 -1.593 -4.494 1.00 64.52 H new ATOM 0 HD23 LEU A 8 -6.588 -2.726 -5.787 1.00 64.52 H new ATOM 132 N THR A 9 -2.006 0.307 -7.920 1.00 65.33 N ATOM 133 CA THR A 9 -1.749 1.158 -9.098 1.00 13.35 C ATOM 134 C THR A 9 -2.212 0.420 -10.357 1.00 74.23 C ATOM 135 O THR A 9 -1.904 -0.770 -10.520 1.00 22.32 O ATOM 136 CB THR A 9 -0.217 1.474 -9.223 1.00 24.34 C ATOM 137 OG1 THR A 9 0.536 0.254 -9.349 1.00 14.23 O ATOM 138 CG2 THR A 9 0.316 2.258 -8.017 1.00 14.03 C ATOM 0 H THR A 9 -1.363 -0.480 -7.833 1.00 65.33 H new ATOM 0 HA THR A 9 -2.295 2.095 -8.985 1.00 13.35 H new ATOM 0 HB THR A 9 -0.096 2.090 -10.114 1.00 24.34 H new ATOM 0 HG1 THR A 9 0.945 0.212 -10.239 1.00 14.23 H new ATOM 0 HG21 THR A 9 1.380 2.452 -8.151 1.00 14.03 H new ATOM 0 HG22 THR A 9 -0.218 3.205 -7.934 1.00 14.03 H new ATOM 0 HG23 THR A 9 0.165 1.675 -7.108 1.00 14.03 H new ATOM 146 N GLY A 10 -2.921 1.138 -11.248 1.00 44.14 N ATOM 147 CA GLY A 10 -3.411 0.565 -12.504 1.00 15.43 C ATOM 148 C GLY A 10 -2.281 0.090 -13.413 1.00 14.52 C ATOM 149 O GLY A 10 -2.384 -0.948 -14.068 1.00 2.44 O ATOM 0 H GLY A 10 -3.165 2.119 -11.115 1.00 44.14 H new ATOM 0 HA2 GLY A 10 -4.071 -0.274 -12.283 1.00 15.43 H new ATOM 0 HA3 GLY A 10 -4.007 1.310 -13.031 1.00 15.43 H new ATOM 153 N ASP A 11 -1.196 0.871 -13.425 1.00 65.42 N ATOM 154 CA ASP A 11 0.027 0.578 -14.190 1.00 13.40 C ATOM 155 C ASP A 11 1.174 0.306 -13.215 1.00 71.41 C ATOM 156 O ASP A 11 1.341 1.042 -12.235 1.00 71.31 O ATOM 157 CB ASP A 11 0.396 1.771 -15.112 1.00 25.32 C ATOM 158 CG ASP A 11 -0.699 2.122 -16.131 1.00 72.31 C ATOM 159 OD1 ASP A 11 -1.711 2.739 -15.739 1.00 3.20 O ATOM 160 OD2 ASP A 11 -0.564 1.774 -17.321 1.00 42.21 O ATOM 0 H ASP A 11 -1.139 1.741 -12.895 1.00 65.42 H new ATOM 0 HA ASP A 11 -0.147 -0.298 -14.815 1.00 13.40 H new ATOM 0 HB2 ASP A 11 0.601 2.646 -14.495 1.00 25.32 H new ATOM 0 HB3 ASP A 11 1.316 1.535 -15.647 1.00 25.32 H new ATOM 165 N GLU A 12 1.970 -0.733 -13.511 1.00 12.15 N ATOM 166 CA GLU A 12 3.160 -1.105 -12.719 1.00 42.32 C ATOM 167 C GLU A 12 4.254 -0.023 -12.834 1.00 43.03 C ATOM 168 O GLU A 12 5.100 0.106 -11.939 1.00 4.05 O ATOM 169 CB GLU A 12 3.691 -2.486 -13.175 1.00 1.31 C ATOM 170 CG GLU A 12 4.893 -3.020 -12.370 1.00 25.12 C ATOM 171 CD GLU A 12 5.344 -4.405 -12.830 1.00 55.51 C ATOM 172 OE1 GLU A 12 5.859 -4.519 -13.963 1.00 1.13 O ATOM 173 OE2 GLU A 12 5.161 -5.393 -12.081 1.00 31.14 O ATOM 0 H GLU A 12 1.808 -1.345 -14.311 1.00 12.15 H new ATOM 0 HA GLU A 12 2.874 -1.176 -11.669 1.00 42.32 H new ATOM 0 HB2 GLU A 12 2.879 -3.210 -13.110 1.00 1.31 H new ATOM 0 HB3 GLU A 12 3.976 -2.420 -14.225 1.00 1.31 H new ATOM 0 HG2 GLU A 12 5.725 -2.322 -12.463 1.00 25.12 H new ATOM 0 HG3 GLU A 12 4.628 -3.061 -11.314 1.00 25.12 H new ATOM 180 N ARG A 13 4.224 0.739 -13.953 1.00 1.55 N ATOM 181 CA ARG A 13 5.083 1.927 -14.154 1.00 53.43 C ATOM 182 C ARG A 13 4.934 2.895 -12.968 1.00 74.34 C ATOM 183 O ARG A 13 5.928 3.313 -12.368 1.00 53.03 O ATOM 184 CB ARG A 13 4.717 2.676 -15.467 1.00 72.42 C ATOM 185 CG ARG A 13 4.911 1.861 -16.760 1.00 15.34 C ATOM 186 CD ARG A 13 4.690 2.700 -18.027 1.00 5.31 C ATOM 187 NE ARG A 13 4.896 1.909 -19.252 1.00 31.44 N ATOM 188 CZ ARG A 13 5.045 2.419 -20.486 1.00 55.23 C ATOM 189 NH1 ARG A 13 5.028 3.737 -20.697 1.00 10.41 N ATOM 190 NH2 ARG A 13 5.188 1.593 -21.512 1.00 4.42 N ATOM 0 H ARG A 13 3.604 0.547 -14.740 1.00 1.55 H new ATOM 0 HA ARG A 13 6.114 1.579 -14.225 1.00 53.43 H new ATOM 0 HB2 ARG A 13 3.676 2.993 -15.408 1.00 72.42 H new ATOM 0 HB3 ARG A 13 5.322 3.580 -15.532 1.00 72.42 H new ATOM 0 HG2 ARG A 13 5.919 1.446 -16.775 1.00 15.34 H new ATOM 0 HG3 ARG A 13 4.219 1.019 -16.761 1.00 15.34 H new ATOM 0 HD2 ARG A 13 3.678 3.105 -18.022 1.00 5.31 H new ATOM 0 HD3 ARG A 13 5.373 3.549 -18.024 1.00 5.31 H new ATOM 0 HE ARG A 13 4.928 0.894 -19.156 1.00 31.44 H new ATOM 0 HH11 ARG A 13 4.900 4.377 -19.913 1.00 10.41 H new ATOM 0 HH12 ARG A 13 5.143 4.104 -21.642 1.00 10.41 H new ATOM 0 HH21 ARG A 13 5.184 0.585 -21.359 1.00 4.42 H new ATOM 0 HH22 ARG A 13 5.302 1.966 -22.455 1.00 4.42 H new ATOM 204 N ILE A 14 3.660 3.172 -12.615 1.00 61.21 N ATOM 205 CA ILE A 14 3.304 4.064 -11.502 1.00 54.52 C ATOM 206 C ILE A 14 3.847 3.485 -10.182 1.00 2.01 C ATOM 207 O ILE A 14 4.493 4.192 -9.425 1.00 73.05 O ATOM 208 CB ILE A 14 1.745 4.288 -11.394 1.00 62.43 C ATOM 209 CG1 ILE A 14 1.156 4.756 -12.764 1.00 33.54 C ATOM 210 CG2 ILE A 14 1.408 5.305 -10.269 1.00 62.21 C ATOM 211 CD1 ILE A 14 -0.348 4.958 -12.773 1.00 62.15 C ATOM 0 H ILE A 14 2.852 2.780 -13.098 1.00 61.21 H new ATOM 0 HA ILE A 14 3.758 5.036 -11.696 1.00 54.52 H new ATOM 0 HB ILE A 14 1.283 3.335 -11.135 1.00 62.43 H new ATOM 0 HG12 ILE A 14 1.636 5.692 -13.049 1.00 33.54 H new ATOM 0 HG13 ILE A 14 1.414 4.020 -13.525 1.00 33.54 H new ATOM 0 HG21 ILE A 14 0.328 5.442 -10.214 1.00 62.21 H new ATOM 0 HG22 ILE A 14 1.774 4.927 -9.315 1.00 62.21 H new ATOM 0 HG23 ILE A 14 1.885 6.261 -10.488 1.00 62.21 H new ATOM 0 HD11 ILE A 14 -0.666 5.282 -13.764 1.00 62.15 H new ATOM 0 HD12 ILE A 14 -0.843 4.020 -12.522 1.00 62.15 H new ATOM 0 HD13 ILE A 14 -0.617 5.718 -12.039 1.00 62.15 H new ATOM 223 N ALA A 15 3.626 2.174 -9.970 1.00 15.11 N ATOM 224 CA ALA A 15 4.131 1.441 -8.785 1.00 72.43 C ATOM 225 C ALA A 15 5.666 1.568 -8.617 1.00 2.13 C ATOM 226 O ALA A 15 6.175 1.729 -7.502 1.00 35.04 O ATOM 227 CB ALA A 15 3.730 -0.040 -8.877 1.00 61.31 C ATOM 0 H ALA A 15 3.092 1.589 -10.613 1.00 15.11 H new ATOM 0 HA ALA A 15 3.675 1.894 -7.905 1.00 72.43 H new ATOM 0 HB1 ALA A 15 4.104 -0.573 -8.003 1.00 61.31 H new ATOM 0 HB2 ALA A 15 2.644 -0.121 -8.914 1.00 61.31 H new ATOM 0 HB3 ALA A 15 4.157 -0.477 -9.779 1.00 61.31 H new ATOM 233 N GLU A 16 6.373 1.531 -9.753 1.00 72.11 N ATOM 234 CA GLU A 16 7.843 1.549 -9.813 1.00 11.44 C ATOM 235 C GLU A 16 8.412 2.941 -9.461 1.00 44.42 C ATOM 236 O GLU A 16 9.388 3.055 -8.707 1.00 72.44 O ATOM 237 CB GLU A 16 8.292 1.113 -11.228 1.00 21.53 C ATOM 238 CG GLU A 16 9.810 1.087 -11.440 1.00 23.51 C ATOM 239 CD GLU A 16 10.199 0.616 -12.841 1.00 62.04 C ATOM 240 OE1 GLU A 16 10.141 1.434 -13.780 1.00 20.12 O ATOM 241 OE2 GLU A 16 10.564 -0.567 -13.004 1.00 64.24 O ATOM 0 H GLU A 16 5.934 1.487 -10.673 1.00 72.11 H new ATOM 0 HA GLU A 16 8.234 0.852 -9.072 1.00 11.44 H new ATOM 0 HB2 GLU A 16 7.894 0.119 -11.430 1.00 21.53 H new ATOM 0 HB3 GLU A 16 7.848 1.789 -11.959 1.00 21.53 H new ATOM 0 HG2 GLU A 16 10.214 2.085 -11.271 1.00 23.51 H new ATOM 0 HG3 GLU A 16 10.265 0.429 -10.700 1.00 23.51 H new ATOM 248 N GLU A 17 7.798 4.000 -10.012 1.00 54.22 N ATOM 249 CA GLU A 17 8.241 5.396 -9.774 1.00 12.43 C ATOM 250 C GLU A 17 7.819 5.887 -8.378 1.00 22.05 C ATOM 251 O GLU A 17 8.508 6.723 -7.769 1.00 12.32 O ATOM 252 CB GLU A 17 7.740 6.335 -10.896 1.00 54.25 C ATOM 253 CG GLU A 17 6.209 6.395 -11.079 1.00 52.13 C ATOM 254 CD GLU A 17 5.790 6.862 -12.483 1.00 4.33 C ATOM 255 OE1 GLU A 17 5.832 6.045 -13.421 1.00 54.30 O ATOM 256 OE2 GLU A 17 5.453 8.041 -12.662 1.00 0.02 O ATOM 0 H GLU A 17 6.989 3.922 -10.629 1.00 54.22 H new ATOM 0 HA GLU A 17 9.331 5.414 -9.800 1.00 12.43 H new ATOM 0 HB2 GLU A 17 8.104 7.342 -10.692 1.00 54.25 H new ATOM 0 HB3 GLU A 17 8.189 6.019 -11.838 1.00 54.25 H new ATOM 0 HG2 GLU A 17 5.787 5.408 -10.889 1.00 52.13 H new ATOM 0 HG3 GLU A 17 5.786 7.071 -10.336 1.00 52.13 H new ATOM 263 N LEU A 18 6.691 5.358 -7.878 1.00 74.50 N ATOM 264 CA LEU A 18 6.240 5.601 -6.498 1.00 64.11 C ATOM 265 C LEU A 18 7.207 4.959 -5.483 1.00 41.55 C ATOM 266 O LEU A 18 7.424 5.520 -4.407 1.00 42.25 O ATOM 267 CB LEU A 18 4.796 5.067 -6.278 1.00 33.30 C ATOM 268 CG LEU A 18 3.635 5.843 -6.990 1.00 24.15 C ATOM 269 CD1 LEU A 18 2.264 5.255 -6.589 1.00 3.45 C ATOM 270 CD2 LEU A 18 3.706 7.369 -6.733 1.00 4.30 C ATOM 0 H LEU A 18 6.069 4.753 -8.415 1.00 74.50 H new ATOM 0 HA LEU A 18 6.234 6.679 -6.337 1.00 64.11 H new ATOM 0 HB2 LEU A 18 4.764 4.029 -6.611 1.00 33.30 H new ATOM 0 HB3 LEU A 18 4.595 5.065 -5.207 1.00 33.30 H new ATOM 0 HG LEU A 18 3.758 5.709 -8.065 1.00 24.15 H new ATOM 0 HD11 LEU A 18 1.470 5.806 -7.093 1.00 3.45 H new ATOM 0 HD12 LEU A 18 2.219 4.206 -6.881 1.00 3.45 H new ATOM 0 HD13 LEU A 18 2.134 5.337 -5.510 1.00 3.45 H new ATOM 0 HD21 LEU A 18 2.881 7.863 -7.247 1.00 4.30 H new ATOM 0 HD22 LEU A 18 3.634 7.561 -5.663 1.00 4.30 H new ATOM 0 HD23 LEU A 18 4.652 7.758 -7.109 1.00 4.30 H new ATOM 282 N ARG A 19 7.793 3.794 -5.853 1.00 42.55 N ATOM 283 CA ARG A 19 8.818 3.102 -5.030 1.00 63.31 C ATOM 284 C ARG A 19 10.008 4.029 -4.751 1.00 12.53 C ATOM 285 O ARG A 19 10.474 4.121 -3.614 1.00 63.01 O ATOM 286 CB ARG A 19 9.319 1.800 -5.727 1.00 62.33 C ATOM 287 CG ARG A 19 10.415 1.041 -4.937 1.00 35.24 C ATOM 288 CD ARG A 19 10.919 -0.237 -5.630 1.00 13.14 C ATOM 289 NE ARG A 19 12.015 -0.865 -4.857 1.00 42.24 N ATOM 290 CZ ARG A 19 13.305 -0.955 -5.252 1.00 12.23 C ATOM 291 NH1 ARG A 19 13.687 -0.462 -6.422 1.00 11.14 N ATOM 292 NH2 ARG A 19 14.205 -1.518 -4.453 1.00 32.03 N ATOM 0 H ARG A 19 7.571 3.310 -6.723 1.00 42.55 H new ATOM 0 HA ARG A 19 8.348 2.831 -4.085 1.00 63.31 H new ATOM 0 HB2 ARG A 19 8.470 1.134 -5.881 1.00 62.33 H new ATOM 0 HB3 ARG A 19 9.708 2.055 -6.713 1.00 62.33 H new ATOM 0 HG2 ARG A 19 11.260 1.710 -4.774 1.00 35.24 H new ATOM 0 HG3 ARG A 19 10.023 0.778 -3.954 1.00 35.24 H new ATOM 0 HD2 ARG A 19 10.096 -0.943 -5.740 1.00 13.14 H new ATOM 0 HD3 ARG A 19 11.269 0.004 -6.634 1.00 13.14 H new ATOM 0 HE ARG A 19 11.776 -1.264 -3.949 1.00 42.24 H new ATOM 0 HH11 ARG A 19 13.006 -0.010 -7.032 1.00 11.14 H new ATOM 0 HH12 ARG A 19 14.662 -0.534 -6.712 1.00 11.14 H new ATOM 0 HH21 ARG A 19 13.922 -1.882 -3.543 1.00 32.03 H new ATOM 0 HH22 ARG A 19 15.178 -1.587 -4.750 1.00 32.03 H new ATOM 306 N LYS A 20 10.432 4.748 -5.804 1.00 33.01 N ATOM 307 CA LYS A 20 11.541 5.716 -5.747 1.00 22.44 C ATOM 308 C LYS A 20 11.238 6.820 -4.714 1.00 61.54 C ATOM 309 O LYS A 20 12.084 7.145 -3.878 1.00 30.10 O ATOM 310 CB LYS A 20 11.768 6.333 -7.151 1.00 10.12 C ATOM 311 CG LYS A 20 12.065 5.303 -8.268 1.00 34.21 C ATOM 312 CD LYS A 20 12.049 5.922 -9.689 1.00 31.11 C ATOM 313 CE LYS A 20 13.062 7.065 -9.880 1.00 21.41 C ATOM 314 NZ LYS A 20 13.041 7.601 -11.273 1.00 53.51 N ATOM 0 H LYS A 20 10.010 4.673 -6.729 1.00 33.01 H new ATOM 0 HA LYS A 20 12.449 5.199 -5.437 1.00 22.44 H new ATOM 0 HB2 LYS A 20 10.883 6.906 -7.429 1.00 10.12 H new ATOM 0 HB3 LYS A 20 12.598 7.037 -7.094 1.00 10.12 H new ATOM 0 HG2 LYS A 20 13.040 4.851 -8.087 1.00 34.21 H new ATOM 0 HG3 LYS A 20 11.328 4.501 -8.220 1.00 34.21 H new ATOM 0 HD2 LYS A 20 12.257 5.139 -10.419 1.00 31.11 H new ATOM 0 HD3 LYS A 20 11.048 6.297 -9.900 1.00 31.11 H new ATOM 0 HE2 LYS A 20 12.839 7.869 -9.178 1.00 21.41 H new ATOM 0 HE3 LYS A 20 14.064 6.705 -9.645 1.00 21.41 H new ATOM 0 HZ1 LYS A 20 13.737 8.369 -11.360 1.00 53.51 H new ATOM 0 HZ2 LYS A 20 13.279 6.840 -11.941 1.00 53.51 H new ATOM 0 HZ3 LYS A 20 12.092 7.968 -11.490 1.00 53.51 H new ATOM 328 N GLU A 21 9.988 7.337 -4.755 1.00 23.21 N ATOM 329 CA GLU A 21 9.511 8.390 -3.832 1.00 63.51 C ATOM 330 C GLU A 21 9.506 7.906 -2.369 1.00 63.12 C ATOM 331 O GLU A 21 9.858 8.663 -1.457 1.00 50.11 O ATOM 332 CB GLU A 21 8.090 8.871 -4.234 1.00 23.53 C ATOM 333 CG GLU A 21 8.028 9.580 -5.598 1.00 14.31 C ATOM 334 CD GLU A 21 8.960 10.809 -5.693 1.00 42.52 C ATOM 335 OE1 GLU A 21 8.795 11.756 -4.903 1.00 41.43 O ATOM 336 OE2 GLU A 21 9.856 10.838 -6.560 1.00 12.11 O ATOM 0 H GLU A 21 9.284 7.036 -5.428 1.00 23.21 H new ATOM 0 HA GLU A 21 10.206 9.226 -3.910 1.00 63.51 H new ATOM 0 HB2 GLU A 21 7.419 8.012 -4.253 1.00 23.53 H new ATOM 0 HB3 GLU A 21 7.718 9.550 -3.467 1.00 23.53 H new ATOM 0 HG2 GLU A 21 8.294 8.870 -6.381 1.00 14.31 H new ATOM 0 HG3 GLU A 21 7.002 9.895 -5.789 1.00 14.31 H new ATOM 343 N VAL A 22 9.114 6.632 -2.179 1.00 52.13 N ATOM 344 CA VAL A 22 9.081 5.969 -0.865 1.00 13.32 C ATOM 345 C VAL A 22 10.503 5.848 -0.271 1.00 34.14 C ATOM 346 O VAL A 22 10.724 6.210 0.887 1.00 1.41 O ATOM 347 CB VAL A 22 8.414 4.537 -0.972 1.00 15.45 C ATOM 348 CG1 VAL A 22 8.525 3.743 0.340 1.00 72.35 C ATOM 349 CG2 VAL A 22 6.937 4.636 -1.405 1.00 64.10 C ATOM 0 H VAL A 22 8.808 6.029 -2.943 1.00 52.13 H new ATOM 0 HA VAL A 22 8.478 6.585 -0.198 1.00 13.32 H new ATOM 0 HB VAL A 22 8.969 3.996 -1.738 1.00 15.45 H new ATOM 0 HG11 VAL A 22 8.053 2.768 0.216 1.00 72.35 H new ATOM 0 HG12 VAL A 22 9.576 3.608 0.596 1.00 72.35 H new ATOM 0 HG13 VAL A 22 8.025 4.289 1.139 1.00 72.35 H new ATOM 0 HG21 VAL A 22 6.509 3.636 -1.469 1.00 64.10 H new ATOM 0 HG22 VAL A 22 6.382 5.222 -0.673 1.00 64.10 H new ATOM 0 HG23 VAL A 22 6.875 5.120 -2.380 1.00 64.10 H new ATOM 359 N GLN A 23 11.461 5.376 -1.096 1.00 64.14 N ATOM 360 CA GLN A 23 12.835 5.061 -0.638 1.00 1.21 C ATOM 361 C GLN A 23 13.652 6.343 -0.346 1.00 71.44 C ATOM 362 O GLN A 23 14.495 6.354 0.559 1.00 44.33 O ATOM 363 CB GLN A 23 13.563 4.153 -1.673 1.00 32.34 C ATOM 364 CG GLN A 23 12.842 2.813 -1.974 1.00 0.12 C ATOM 365 CD GLN A 23 12.666 1.891 -0.757 1.00 54.12 C ATOM 366 OE1 GLN A 23 13.493 1.018 -0.495 1.00 3.12 O ATOM 367 NE2 GLN A 23 11.593 2.081 -0.003 1.00 14.35 N ATOM 0 H GLN A 23 11.309 5.203 -2.090 1.00 64.14 H new ATOM 0 HA GLN A 23 12.753 4.513 0.301 1.00 1.21 H new ATOM 0 HB2 GLN A 23 13.678 4.706 -2.605 1.00 32.34 H new ATOM 0 HB3 GLN A 23 14.566 3.937 -1.305 1.00 32.34 H new ATOM 0 HG2 GLN A 23 11.860 3.031 -2.393 1.00 0.12 H new ATOM 0 HG3 GLN A 23 13.404 2.278 -2.740 1.00 0.12 H new ATOM 0 HE21 GLN A 23 10.924 2.812 -0.243 1.00 14.35 H new ATOM 0 HE22 GLN A 23 11.436 1.496 0.818 1.00 14.35 H new ATOM 376 N LYS A 24 13.383 7.421 -1.111 1.00 3.01 N ATOM 377 CA LYS A 24 14.055 8.730 -0.922 1.00 74.10 C ATOM 378 C LYS A 24 13.521 9.444 0.327 1.00 50.31 C ATOM 379 O LYS A 24 14.290 10.046 1.080 1.00 1.23 O ATOM 380 CB LYS A 24 13.856 9.648 -2.151 1.00 71.44 C ATOM 381 CG LYS A 24 14.545 9.166 -3.443 1.00 72.24 C ATOM 382 CD LYS A 24 14.339 10.146 -4.615 1.00 43.11 C ATOM 383 CE LYS A 24 12.852 10.389 -4.934 1.00 61.04 C ATOM 384 NZ LYS A 24 12.686 11.326 -6.072 1.00 1.21 N ATOM 0 H LYS A 24 12.702 7.413 -1.870 1.00 3.01 H new ATOM 0 HA LYS A 24 15.119 8.528 -0.798 1.00 74.10 H new ATOM 0 HB2 LYS A 24 12.788 9.747 -2.342 1.00 71.44 H new ATOM 0 HB3 LYS A 24 14.230 10.642 -1.907 1.00 71.44 H new ATOM 0 HG2 LYS A 24 15.612 9.042 -3.259 1.00 72.24 H new ATOM 0 HG3 LYS A 24 14.153 8.187 -3.718 1.00 72.24 H new ATOM 0 HD2 LYS A 24 14.815 11.097 -4.376 1.00 43.11 H new ATOM 0 HD3 LYS A 24 14.837 9.755 -5.502 1.00 43.11 H new ATOM 0 HE2 LYS A 24 12.370 9.440 -5.169 1.00 61.04 H new ATOM 0 HE3 LYS A 24 12.351 10.792 -4.054 1.00 61.04 H new ATOM 0 HZ1 LYS A 24 11.700 11.299 -6.403 1.00 1.21 H new ATOM 0 HZ2 LYS A 24 12.922 12.291 -5.764 1.00 1.21 H new ATOM 0 HZ3 LYS A 24 13.319 11.045 -6.848 1.00 1.21 H new ATOM 398 N HIS A 25 12.191 9.384 0.516 1.00 31.05 N ATOM 399 CA HIS A 25 11.522 9.986 1.681 1.00 14.11 C ATOM 400 C HIS A 25 11.917 9.229 2.963 1.00 11.43 C ATOM 401 O HIS A 25 12.122 9.846 4.015 1.00 72.30 O ATOM 402 CB HIS A 25 9.984 9.993 1.475 1.00 61.22 C ATOM 403 CG HIS A 25 9.188 10.699 2.558 1.00 25.03 C ATOM 404 ND1 HIS A 25 9.052 12.068 2.582 1.00 53.43 N ATOM 405 CD2 HIS A 25 8.485 10.184 3.588 1.00 12.52 C ATOM 406 CE1 HIS A 25 8.269 12.335 3.618 1.00 51.13 C ATOM 407 NE2 HIS A 25 7.899 11.221 4.253 1.00 13.41 N ATOM 0 H HIS A 25 11.554 8.920 -0.131 1.00 31.05 H new ATOM 0 HA HIS A 25 11.846 11.021 1.787 1.00 14.11 H new ATOM 0 HB2 HIS A 25 9.764 10.467 0.518 1.00 61.22 H new ATOM 0 HB3 HIS A 25 9.638 8.962 1.407 1.00 61.22 H new ATOM 0 HD2 HIS A 25 8.401 9.137 3.841 1.00 12.52 H new ATOM 0 HE1 HIS A 25 7.968 13.330 3.911 1.00 51.13 H new ATOM 0 HE2 HIS A 25 7.297 11.157 5.074 1.00 13.41 H new ATOM 415 N ASP A 26 12.069 7.895 2.845 1.00 55.24 N ATOM 416 CA ASP A 26 12.475 7.037 3.967 1.00 10.41 C ATOM 417 C ASP A 26 13.141 5.734 3.471 1.00 4.22 C ATOM 418 O ASP A 26 12.524 4.975 2.715 1.00 64.12 O ATOM 419 CB ASP A 26 11.263 6.687 4.851 1.00 63.51 C ATOM 420 CG ASP A 26 11.676 6.008 6.164 1.00 65.33 C ATOM 421 OD1 ASP A 26 12.274 6.683 7.024 1.00 34.34 O ATOM 422 OD2 ASP A 26 11.429 4.808 6.337 1.00 52.42 O ATOM 0 H ASP A 26 11.914 7.388 1.973 1.00 55.24 H new ATOM 0 HA ASP A 26 13.202 7.597 4.555 1.00 10.41 H new ATOM 0 HB2 ASP A 26 10.705 7.596 5.075 1.00 63.51 H new ATOM 0 HB3 ASP A 26 10.592 6.028 4.299 1.00 63.51 H new ATOM 427 N PRO A 27 14.402 5.429 3.912 1.00 11.13 N ATOM 428 CA PRO A 27 15.117 4.204 3.499 1.00 31.54 C ATOM 429 C PRO A 27 14.719 2.959 4.333 1.00 4.02 C ATOM 430 O PRO A 27 15.033 1.824 3.942 1.00 61.22 O ATOM 431 CB PRO A 27 16.592 4.604 3.722 1.00 33.11 C ATOM 432 CG PRO A 27 16.556 5.501 4.923 1.00 35.41 C ATOM 433 CD PRO A 27 15.240 6.254 4.840 1.00 54.14 C ATOM 0 HA PRO A 27 14.889 3.901 2.477 1.00 31.54 H new ATOM 0 HB2 PRO A 27 17.219 3.730 3.897 1.00 33.11 H new ATOM 0 HB3 PRO A 27 17.000 5.120 2.853 1.00 33.11 H new ATOM 0 HG2 PRO A 27 16.618 4.922 5.845 1.00 35.41 H new ATOM 0 HG3 PRO A 27 17.401 6.190 4.922 1.00 35.41 H new ATOM 0 HD2 PRO A 27 14.773 6.349 5.820 1.00 54.14 H new ATOM 0 HD3 PRO A 27 15.383 7.264 4.456 1.00 54.14 H new ATOM 441 N ASN A 28 14.009 3.174 5.463 1.00 41.43 N ATOM 442 CA ASN A 28 13.641 2.092 6.410 1.00 54.00 C ATOM 443 C ASN A 28 12.472 1.251 5.865 1.00 41.22 C ATOM 444 O ASN A 28 12.251 0.122 6.324 1.00 2.40 O ATOM 445 CB ASN A 28 13.257 2.675 7.799 1.00 20.10 C ATOM 446 CG ASN A 28 14.366 3.499 8.448 1.00 62.13 C ATOM 447 OD1 ASN A 28 15.221 2.957 9.156 1.00 22.22 O ATOM 448 ND2 ASN A 28 14.355 4.806 8.237 1.00 35.22 N ATOM 0 H ASN A 28 13.676 4.096 5.745 1.00 41.43 H new ATOM 0 HA ASN A 28 14.514 1.450 6.523 1.00 54.00 H new ATOM 0 HB2 ASN A 28 12.370 3.299 7.688 1.00 20.10 H new ATOM 0 HB3 ASN A 28 12.989 1.855 8.465 1.00 20.10 H new ATOM 0 HD21 ASN A 28 15.067 5.398 8.665 1.00 35.22 H new ATOM 0 HD22 ASN A 28 13.634 5.221 7.647 1.00 35.22 H new ATOM 455 N VAL A 29 11.729 1.816 4.894 1.00 42.55 N ATOM 456 CA VAL A 29 10.547 1.166 4.305 1.00 23.24 C ATOM 457 C VAL A 29 10.962 0.003 3.389 1.00 10.14 C ATOM 458 O VAL A 29 11.854 0.169 2.545 1.00 74.44 O ATOM 459 CB VAL A 29 9.667 2.153 3.443 1.00 40.24 C ATOM 460 CG1 VAL A 29 8.268 1.553 3.170 1.00 15.41 C ATOM 461 CG2 VAL A 29 9.558 3.540 4.089 1.00 64.24 C ATOM 0 H VAL A 29 11.932 2.734 4.498 1.00 42.55 H new ATOM 0 HA VAL A 29 9.959 0.812 5.151 1.00 23.24 H new ATOM 0 HB VAL A 29 10.173 2.285 2.487 1.00 40.24 H new ATOM 0 HG11 VAL A 29 7.682 2.253 2.574 1.00 15.41 H new ATOM 0 HG12 VAL A 29 8.374 0.614 2.626 1.00 15.41 H new ATOM 0 HG13 VAL A 29 7.760 1.368 4.117 1.00 15.41 H new ATOM 0 HG21 VAL A 29 8.944 4.186 3.462 1.00 64.24 H new ATOM 0 HG22 VAL A 29 9.100 3.448 5.074 1.00 64.24 H new ATOM 0 HG23 VAL A 29 10.553 3.973 4.191 1.00 64.24 H new ATOM 471 N LYS A 30 10.302 -1.146 3.553 1.00 63.23 N ATOM 472 CA LYS A 30 10.388 -2.258 2.597 1.00 30.53 C ATOM 473 C LYS A 30 9.406 -2.011 1.445 1.00 44.41 C ATOM 474 O LYS A 30 8.377 -1.387 1.635 1.00 2.11 O ATOM 475 CB LYS A 30 10.102 -3.610 3.312 1.00 34.33 C ATOM 476 CG LYS A 30 11.187 -4.022 4.329 1.00 3.32 C ATOM 477 CD LYS A 30 12.588 -4.113 3.690 1.00 50.34 C ATOM 478 CE LYS A 30 12.686 -5.191 2.598 1.00 74.31 C ATOM 479 NZ LYS A 30 14.002 -5.162 1.905 1.00 61.31 N ATOM 0 H LYS A 30 9.694 -1.334 4.350 1.00 63.23 H new ATOM 0 HA LYS A 30 11.396 -2.314 2.187 1.00 30.53 H new ATOM 0 HB2 LYS A 30 9.143 -3.542 3.826 1.00 34.33 H new ATOM 0 HB3 LYS A 30 10.006 -4.394 2.561 1.00 34.33 H new ATOM 0 HG2 LYS A 30 11.209 -3.300 5.145 1.00 3.32 H new ATOM 0 HG3 LYS A 30 10.926 -4.987 4.764 1.00 3.32 H new ATOM 0 HD2 LYS A 30 12.848 -3.145 3.261 1.00 50.34 H new ATOM 0 HD3 LYS A 30 13.322 -4.325 4.468 1.00 50.34 H new ATOM 0 HE2 LYS A 30 12.532 -6.174 3.044 1.00 74.31 H new ATOM 0 HE3 LYS A 30 11.889 -5.043 1.869 1.00 74.31 H new ATOM 0 HZ1 LYS A 30 14.027 -5.904 1.177 1.00 61.31 H new ATOM 0 HZ2 LYS A 30 14.138 -4.233 1.458 1.00 61.31 H new ATOM 0 HZ3 LYS A 30 14.762 -5.329 2.595 1.00 61.31 H new ATOM 493 N THR A 31 9.747 -2.482 0.250 1.00 23.03 N ATOM 494 CA THR A 31 8.907 -2.303 -0.960 1.00 25.20 C ATOM 495 C THR A 31 8.857 -3.621 -1.735 1.00 1.23 C ATOM 496 O THR A 31 9.908 -4.209 -2.023 1.00 33.42 O ATOM 497 CB THR A 31 9.442 -1.144 -1.876 1.00 41.04 C ATOM 498 OG1 THR A 31 10.864 -1.261 -2.057 1.00 75.12 O ATOM 499 CG2 THR A 31 9.120 0.254 -1.310 1.00 33.21 C ATOM 0 H THR A 31 10.609 -3.000 0.079 1.00 23.03 H new ATOM 0 HA THR A 31 7.902 -2.022 -0.645 1.00 25.20 H new ATOM 0 HB THR A 31 8.931 -1.246 -2.834 1.00 41.04 H new ATOM 0 HG1 THR A 31 11.110 -2.208 -2.113 1.00 75.12 H new ATOM 0 HG21 THR A 31 9.512 1.018 -1.982 1.00 33.21 H new ATOM 0 HG22 THR A 31 8.040 0.370 -1.220 1.00 33.21 H new ATOM 0 HG23 THR A 31 9.580 0.364 -0.328 1.00 33.21 H new ATOM 507 N VAL A 32 7.628 -4.107 -2.027 1.00 24.20 N ATOM 508 CA VAL A 32 7.398 -5.419 -2.668 1.00 41.31 C ATOM 509 C VAL A 32 6.287 -5.288 -3.746 1.00 63.45 C ATOM 510 O VAL A 32 5.178 -4.878 -3.415 1.00 73.24 O ATOM 511 CB VAL A 32 6.962 -6.519 -1.617 1.00 1.41 C ATOM 512 CG1 VAL A 32 6.915 -7.914 -2.270 1.00 53.20 C ATOM 513 CG2 VAL A 32 7.874 -6.528 -0.371 1.00 32.33 C ATOM 0 H VAL A 32 6.768 -3.598 -1.824 1.00 24.20 H new ATOM 0 HA VAL A 32 8.338 -5.731 -3.123 1.00 41.31 H new ATOM 0 HB VAL A 32 5.959 -6.260 -1.280 1.00 1.41 H new ATOM 0 HG11 VAL A 32 6.613 -8.653 -1.528 1.00 53.20 H new ATOM 0 HG12 VAL A 32 6.196 -7.908 -3.090 1.00 53.20 H new ATOM 0 HG13 VAL A 32 7.902 -8.169 -2.655 1.00 53.20 H new ATOM 0 HG21 VAL A 32 7.536 -7.299 0.322 1.00 32.33 H new ATOM 0 HG22 VAL A 32 8.900 -6.736 -0.673 1.00 32.33 H new ATOM 0 HG23 VAL A 32 7.830 -5.555 0.119 1.00 32.33 H new ATOM 523 N PRO A 33 6.568 -5.625 -5.046 1.00 4.05 N ATOM 524 CA PRO A 33 5.544 -5.595 -6.122 1.00 25.01 C ATOM 525 C PRO A 33 4.645 -6.860 -6.153 1.00 34.21 C ATOM 526 O PRO A 33 4.816 -7.791 -5.352 1.00 24.33 O ATOM 527 CB PRO A 33 6.410 -5.464 -7.398 1.00 64.03 C ATOM 528 CG PRO A 33 7.673 -6.200 -7.073 1.00 52.42 C ATOM 529 CD PRO A 33 7.903 -6.025 -5.582 1.00 0.41 C ATOM 0 HA PRO A 33 4.823 -4.787 -5.993 1.00 25.01 H new ATOM 0 HB2 PRO A 33 5.909 -5.898 -8.263 1.00 64.03 H new ATOM 0 HB3 PRO A 33 6.610 -4.419 -7.636 1.00 64.03 H new ATOM 0 HG2 PRO A 33 7.584 -7.255 -7.330 1.00 52.42 H new ATOM 0 HG3 PRO A 33 8.512 -5.802 -7.644 1.00 52.42 H new ATOM 0 HD2 PRO A 33 8.255 -6.949 -5.123 1.00 0.41 H new ATOM 0 HD3 PRO A 33 8.656 -5.263 -5.383 1.00 0.41 H new ATOM 537 N THR A 34 3.697 -6.865 -7.111 1.00 14.14 N ATOM 538 CA THR A 34 2.709 -7.952 -7.311 1.00 44.35 C ATOM 539 C THR A 34 3.375 -9.293 -7.698 1.00 2.03 C ATOM 540 O THR A 34 2.911 -10.372 -7.306 1.00 4.11 O ATOM 541 CB THR A 34 1.700 -7.561 -8.435 1.00 32.25 C ATOM 542 OG1 THR A 34 2.423 -7.158 -9.617 1.00 24.22 O ATOM 543 CG2 THR A 34 0.748 -6.440 -8.016 1.00 52.04 C ATOM 0 H THR A 34 3.592 -6.103 -7.780 1.00 14.14 H new ATOM 0 HA THR A 34 2.196 -8.085 -6.359 1.00 44.35 H new ATOM 0 HB THR A 34 1.092 -8.443 -8.638 1.00 32.25 H new ATOM 0 HG1 THR A 34 1.787 -6.915 -10.322 1.00 24.22 H new ATOM 0 HG21 THR A 34 0.070 -6.212 -8.839 1.00 52.04 H new ATOM 0 HG22 THR A 34 0.171 -6.758 -7.148 1.00 52.04 H new ATOM 0 HG23 THR A 34 1.323 -5.550 -7.762 1.00 52.04 H new ATOM 551 N LYS A 35 4.457 -9.202 -8.485 1.00 34.23 N ATOM 552 CA LYS A 35 5.235 -10.376 -8.947 1.00 24.04 C ATOM 553 C LYS A 35 5.972 -11.085 -7.793 1.00 14.31 C ATOM 554 O LYS A 35 6.470 -12.205 -7.965 1.00 71.24 O ATOM 555 CB LYS A 35 6.244 -9.951 -10.038 1.00 22.42 C ATOM 556 CG LYS A 35 7.225 -8.840 -9.597 1.00 44.15 C ATOM 557 CD LYS A 35 8.354 -8.585 -10.614 1.00 33.23 C ATOM 558 CE LYS A 35 9.238 -9.816 -10.828 1.00 62.11 C ATOM 559 NZ LYS A 35 10.293 -9.571 -11.843 1.00 61.04 N ATOM 0 H LYS A 35 4.824 -8.312 -8.824 1.00 34.23 H new ATOM 0 HA LYS A 35 4.523 -11.089 -9.363 1.00 24.04 H new ATOM 0 HB2 LYS A 35 6.818 -10.825 -10.347 1.00 22.42 H new ATOM 0 HB3 LYS A 35 5.692 -9.607 -10.913 1.00 22.42 H new ATOM 0 HG2 LYS A 35 6.670 -7.915 -9.442 1.00 44.15 H new ATOM 0 HG3 LYS A 35 7.664 -9.113 -8.638 1.00 44.15 H new ATOM 0 HD2 LYS A 35 7.919 -8.284 -11.567 1.00 33.23 H new ATOM 0 HD3 LYS A 35 8.970 -7.755 -10.268 1.00 33.23 H new ATOM 0 HE2 LYS A 35 9.702 -10.098 -9.883 1.00 62.11 H new ATOM 0 HE3 LYS A 35 8.620 -10.657 -11.143 1.00 62.11 H new ATOM 0 HZ1 LYS A 35 10.870 -10.429 -11.958 1.00 61.04 H new ATOM 0 HZ2 LYS A 35 9.850 -9.327 -12.752 1.00 61.04 H new ATOM 0 HZ3 LYS A 35 10.899 -8.786 -11.531 1.00 61.04 H new ATOM 573 N ASP A 36 6.050 -10.420 -6.631 1.00 64.43 N ATOM 574 CA ASP A 36 6.668 -10.964 -5.410 1.00 52.44 C ATOM 575 C ASP A 36 5.637 -11.006 -4.269 1.00 52.55 C ATOM 576 O ASP A 36 5.989 -10.867 -3.098 1.00 13.13 O ATOM 577 CB ASP A 36 7.915 -10.121 -5.025 1.00 64.44 C ATOM 578 CG ASP A 36 9.023 -10.183 -6.089 1.00 1.14 C ATOM 579 OD1 ASP A 36 9.668 -11.240 -6.223 1.00 31.51 O ATOM 580 OD2 ASP A 36 9.233 -9.195 -6.809 1.00 65.40 O ATOM 0 H ASP A 36 5.681 -9.477 -6.510 1.00 64.43 H new ATOM 0 HA ASP A 36 7.000 -11.986 -5.595 1.00 52.44 H new ATOM 0 HB2 ASP A 36 7.616 -9.083 -4.878 1.00 64.44 H new ATOM 0 HB3 ASP A 36 8.310 -10.477 -4.074 1.00 64.44 H new ATOM 585 N LYS A 37 4.365 -11.264 -4.633 1.00 34.34 N ATOM 586 CA LYS A 37 3.241 -11.359 -3.674 1.00 43.34 C ATOM 587 C LYS A 37 3.460 -12.530 -2.678 1.00 24.24 C ATOM 588 O LYS A 37 3.054 -12.454 -1.512 1.00 30.21 O ATOM 589 CB LYS A 37 1.887 -11.477 -4.446 1.00 62.22 C ATOM 590 CG LYS A 37 0.586 -11.251 -3.609 1.00 33.31 C ATOM 591 CD LYS A 37 0.089 -12.512 -2.864 1.00 21.42 C ATOM 592 CE LYS A 37 -1.189 -12.273 -2.045 1.00 32.40 C ATOM 593 NZ LYS A 37 -1.682 -13.532 -1.422 1.00 3.53 N ATOM 0 H LYS A 37 4.085 -11.413 -5.602 1.00 34.34 H new ATOM 0 HA LYS A 37 3.201 -10.447 -3.078 1.00 43.34 H new ATOM 0 HB2 LYS A 37 1.896 -10.756 -5.264 1.00 62.22 H new ATOM 0 HB3 LYS A 37 1.836 -12.469 -4.896 1.00 62.22 H new ATOM 0 HG2 LYS A 37 0.767 -10.460 -2.881 1.00 33.31 H new ATOM 0 HG3 LYS A 37 -0.204 -10.899 -4.273 1.00 33.31 H new ATOM 0 HD2 LYS A 37 -0.096 -13.304 -3.589 1.00 21.42 H new ATOM 0 HD3 LYS A 37 0.877 -12.866 -2.199 1.00 21.42 H new ATOM 0 HE2 LYS A 37 -0.991 -11.535 -1.268 1.00 32.40 H new ATOM 0 HE3 LYS A 37 -1.963 -11.858 -2.690 1.00 32.40 H new ATOM 0 HZ1 LYS A 37 -2.545 -13.335 -0.877 1.00 3.53 H new ATOM 0 HZ2 LYS A 37 -1.893 -14.228 -2.166 1.00 3.53 H new ATOM 0 HZ3 LYS A 37 -0.952 -13.914 -0.788 1.00 3.53 H new ATOM 607 N GLU A 38 4.141 -13.585 -3.149 1.00 2.14 N ATOM 608 CA GLU A 38 4.512 -14.753 -2.323 1.00 74.42 C ATOM 609 C GLU A 38 5.559 -14.363 -1.247 1.00 50.32 C ATOM 610 O GLU A 38 5.622 -14.979 -0.181 1.00 41.15 O ATOM 611 CB GLU A 38 5.065 -15.877 -3.236 1.00 3.23 C ATOM 612 CG GLU A 38 4.115 -16.280 -4.382 1.00 41.11 C ATOM 613 CD GLU A 38 4.738 -17.291 -5.353 1.00 35.10 C ATOM 614 OE1 GLU A 38 5.650 -16.903 -6.111 1.00 11.01 O ATOM 615 OE2 GLU A 38 4.314 -18.464 -5.375 1.00 2.10 O ATOM 0 H GLU A 38 4.453 -13.656 -4.117 1.00 2.14 H new ATOM 0 HA GLU A 38 3.623 -15.114 -1.806 1.00 74.42 H new ATOM 0 HB2 GLU A 38 6.014 -15.551 -3.662 1.00 3.23 H new ATOM 0 HB3 GLU A 38 5.275 -16.756 -2.626 1.00 3.23 H new ATOM 0 HG2 GLU A 38 3.205 -16.705 -3.959 1.00 41.11 H new ATOM 0 HG3 GLU A 38 3.823 -15.387 -4.935 1.00 41.11 H new ATOM 622 N LYS A 39 6.370 -13.329 -1.544 1.00 33.01 N ATOM 623 CA LYS A 39 7.401 -12.815 -0.619 1.00 31.11 C ATOM 624 C LYS A 39 6.799 -11.820 0.399 1.00 74.34 C ATOM 625 O LYS A 39 7.375 -11.629 1.469 1.00 60.03 O ATOM 626 CB LYS A 39 8.549 -12.123 -1.409 1.00 60.12 C ATOM 627 CG LYS A 39 9.289 -13.047 -2.404 1.00 0.24 C ATOM 628 CD LYS A 39 10.493 -12.352 -3.087 1.00 75.21 C ATOM 629 CE LYS A 39 11.256 -13.281 -4.046 1.00 44.20 C ATOM 630 NZ LYS A 39 11.830 -14.457 -3.343 1.00 3.41 N ATOM 0 H LYS A 39 6.330 -12.827 -2.431 1.00 33.01 H new ATOM 0 HA LYS A 39 7.803 -13.668 -0.072 1.00 31.11 H new ATOM 0 HB2 LYS A 39 8.137 -11.276 -1.957 1.00 60.12 H new ATOM 0 HB3 LYS A 39 9.272 -11.722 -0.699 1.00 60.12 H new ATOM 0 HG2 LYS A 39 9.639 -13.935 -1.877 1.00 0.24 H new ATOM 0 HG3 LYS A 39 8.589 -13.385 -3.168 1.00 0.24 H new ATOM 0 HD2 LYS A 39 10.138 -11.481 -3.638 1.00 75.21 H new ATOM 0 HD3 LYS A 39 11.178 -11.987 -2.321 1.00 75.21 H new ATOM 0 HE2 LYS A 39 10.583 -13.622 -4.833 1.00 44.20 H new ATOM 0 HE3 LYS A 39 12.056 -12.723 -4.531 1.00 44.20 H new ATOM 0 HZ1 LYS A 39 12.473 -14.964 -3.984 1.00 3.41 H new ATOM 0 HZ2 LYS A 39 12.357 -14.138 -2.505 1.00 3.41 H new ATOM 0 HZ3 LYS A 39 11.062 -15.093 -3.047 1.00 3.41 H new ATOM 644 N VAL A 40 5.629 -11.220 0.059 1.00 23.25 N ATOM 645 CA VAL A 40 4.993 -10.124 0.844 1.00 73.02 C ATOM 646 C VAL A 40 4.824 -10.490 2.334 1.00 35.01 C ATOM 647 O VAL A 40 5.208 -9.704 3.198 1.00 52.22 O ATOM 648 CB VAL A 40 3.586 -9.713 0.235 1.00 33.40 C ATOM 649 CG1 VAL A 40 2.762 -8.848 1.210 1.00 50.31 C ATOM 650 CG2 VAL A 40 3.753 -8.974 -1.110 1.00 32.20 C ATOM 0 H VAL A 40 5.096 -11.482 -0.770 1.00 23.25 H new ATOM 0 HA VAL A 40 5.672 -9.274 0.778 1.00 73.02 H new ATOM 0 HB VAL A 40 3.039 -10.640 0.063 1.00 33.40 H new ATOM 0 HG11 VAL A 40 1.808 -8.591 0.751 1.00 50.31 H new ATOM 0 HG12 VAL A 40 2.584 -9.406 2.129 1.00 50.31 H new ATOM 0 HG13 VAL A 40 3.312 -7.935 1.440 1.00 50.31 H new ATOM 0 HG21 VAL A 40 2.772 -8.706 -1.502 1.00 32.20 H new ATOM 0 HG22 VAL A 40 4.343 -8.070 -0.958 1.00 32.20 H new ATOM 0 HG23 VAL A 40 4.263 -9.624 -1.821 1.00 32.20 H new ATOM 660 N LYS A 41 4.284 -11.696 2.608 1.00 63.35 N ATOM 661 CA LYS A 41 4.022 -12.176 3.985 1.00 0.45 C ATOM 662 C LYS A 41 5.309 -12.155 4.844 1.00 73.41 C ATOM 663 O LYS A 41 5.287 -11.723 6.007 1.00 65.42 O ATOM 664 CB LYS A 41 3.421 -13.608 3.973 1.00 70.54 C ATOM 665 CG LYS A 41 1.983 -13.724 3.409 1.00 21.11 C ATOM 666 CD LYS A 41 1.379 -15.126 3.682 1.00 41.25 C ATOM 667 CE LYS A 41 -0.080 -15.271 3.235 1.00 42.21 C ATOM 668 NZ LYS A 41 -0.664 -16.584 3.645 1.00 44.10 N ATOM 0 H LYS A 41 4.017 -12.364 1.885 1.00 63.35 H new ATOM 0 HA LYS A 41 3.297 -11.494 4.430 1.00 0.45 H new ATOM 0 HB2 LYS A 41 4.076 -14.253 3.386 1.00 70.54 H new ATOM 0 HB3 LYS A 41 3.425 -13.993 4.993 1.00 70.54 H new ATOM 0 HG2 LYS A 41 1.351 -12.960 3.861 1.00 21.11 H new ATOM 0 HG3 LYS A 41 1.995 -13.534 2.336 1.00 21.11 H new ATOM 0 HD2 LYS A 41 1.982 -15.876 3.171 1.00 41.25 H new ATOM 0 HD3 LYS A 41 1.445 -15.338 4.749 1.00 41.25 H new ATOM 0 HE2 LYS A 41 -0.672 -14.462 3.662 1.00 42.21 H new ATOM 0 HE3 LYS A 41 -0.139 -15.171 2.151 1.00 42.21 H new ATOM 0 HZ1 LYS A 41 -1.651 -16.641 3.323 1.00 44.10 H new ATOM 0 HZ2 LYS A 41 -0.115 -17.357 3.217 1.00 44.10 H new ATOM 0 HZ3 LYS A 41 -0.632 -16.670 4.681 1.00 44.10 H new ATOM 682 N GLU A 42 6.420 -12.585 4.222 1.00 2.13 N ATOM 683 CA GLU A 42 7.742 -12.653 4.872 1.00 51.34 C ATOM 684 C GLU A 42 8.277 -11.240 5.137 1.00 74.13 C ATOM 685 O GLU A 42 8.759 -10.943 6.229 1.00 42.34 O ATOM 686 CB GLU A 42 8.730 -13.454 3.979 1.00 52.41 C ATOM 687 CG GLU A 42 8.210 -14.825 3.494 1.00 3.33 C ATOM 688 CD GLU A 42 7.785 -15.779 4.627 1.00 75.03 C ATOM 689 OE1 GLU A 42 8.647 -16.489 5.180 1.00 73.21 O ATOM 690 OE2 GLU A 42 6.586 -15.831 4.962 1.00 53.24 O ATOM 0 H GLU A 42 6.427 -12.897 3.251 1.00 2.13 H new ATOM 0 HA GLU A 42 7.642 -13.166 5.829 1.00 51.34 H new ATOM 0 HB2 GLU A 42 8.980 -12.849 3.108 1.00 52.41 H new ATOM 0 HB3 GLU A 42 9.654 -13.609 4.535 1.00 52.41 H new ATOM 0 HG2 GLU A 42 7.359 -14.664 2.832 1.00 3.33 H new ATOM 0 HG3 GLU A 42 8.988 -15.307 2.902 1.00 3.33 H new ATOM 697 N GLU A 43 8.126 -10.366 4.132 1.00 34.30 N ATOM 698 CA GLU A 43 8.631 -8.986 4.169 1.00 0.40 C ATOM 699 C GLU A 43 7.840 -8.097 5.159 1.00 30.33 C ATOM 700 O GLU A 43 8.389 -7.120 5.692 1.00 2.11 O ATOM 701 CB GLU A 43 8.595 -8.379 2.749 1.00 13.04 C ATOM 702 CG GLU A 43 9.416 -9.149 1.692 1.00 22.40 C ATOM 703 CD GLU A 43 10.902 -9.272 2.047 1.00 51.32 C ATOM 704 OE1 GLU A 43 11.563 -8.230 2.221 1.00 60.42 O ATOM 705 OE2 GLU A 43 11.424 -10.401 2.158 1.00 31.23 O ATOM 0 H GLU A 43 7.646 -10.599 3.263 1.00 34.30 H new ATOM 0 HA GLU A 43 9.660 -9.019 4.526 1.00 0.40 H new ATOM 0 HB2 GLU A 43 7.558 -8.329 2.417 1.00 13.04 H new ATOM 0 HB3 GLU A 43 8.963 -7.354 2.798 1.00 13.04 H new ATOM 0 HG2 GLU A 43 8.995 -10.147 1.572 1.00 22.40 H new ATOM 0 HG3 GLU A 43 9.320 -8.645 0.730 1.00 22.40 H new ATOM 712 N ILE A 44 6.547 -8.438 5.375 1.00 60.51 N ATOM 713 CA ILE A 44 5.703 -7.799 6.406 1.00 5.44 C ATOM 714 C ILE A 44 6.263 -8.148 7.795 1.00 34.31 C ATOM 715 O ILE A 44 6.455 -7.264 8.619 1.00 32.13 O ATOM 716 CB ILE A 44 4.176 -8.231 6.310 1.00 45.01 C ATOM 717 CG1 ILE A 44 3.512 -7.667 5.007 1.00 42.52 C ATOM 718 CG2 ILE A 44 3.373 -7.799 7.573 1.00 24.20 C ATOM 719 CD1 ILE A 44 2.048 -8.040 4.822 1.00 74.14 C ATOM 0 H ILE A 44 6.064 -9.160 4.841 1.00 60.51 H new ATOM 0 HA ILE A 44 5.732 -6.722 6.238 1.00 5.44 H new ATOM 0 HB ILE A 44 4.150 -9.320 6.262 1.00 45.01 H new ATOM 0 HG12 ILE A 44 3.597 -6.580 5.014 1.00 42.52 H new ATOM 0 HG13 ILE A 44 4.075 -8.025 4.145 1.00 42.52 H new ATOM 0 HG21 ILE A 44 2.334 -8.112 7.469 1.00 24.20 H new ATOM 0 HG22 ILE A 44 3.806 -8.267 8.457 1.00 24.20 H new ATOM 0 HG23 ILE A 44 3.416 -6.715 7.678 1.00 24.20 H new ATOM 0 HD11 ILE A 44 1.676 -7.605 3.894 1.00 74.14 H new ATOM 0 HD12 ILE A 44 1.952 -9.125 4.778 1.00 74.14 H new ATOM 0 HD13 ILE A 44 1.466 -7.658 5.661 1.00 74.14 H new ATOM 731 N GLU A 45 6.558 -9.448 8.004 1.00 33.45 N ATOM 732 CA GLU A 45 7.132 -9.959 9.263 1.00 15.23 C ATOM 733 C GLU A 45 8.481 -9.269 9.586 1.00 51.22 C ATOM 734 O GLU A 45 8.741 -8.912 10.737 1.00 75.40 O ATOM 735 CB GLU A 45 7.321 -11.498 9.171 1.00 22.25 C ATOM 736 CG GLU A 45 7.976 -12.141 10.407 1.00 33.04 C ATOM 737 CD GLU A 45 8.228 -13.650 10.259 1.00 12.42 C ATOM 738 OE1 GLU A 45 9.014 -14.037 9.373 1.00 14.02 O ATOM 739 OE2 GLU A 45 7.674 -14.446 11.049 1.00 12.22 O ATOM 0 H GLU A 45 6.404 -10.172 7.303 1.00 33.45 H new ATOM 0 HA GLU A 45 6.439 -9.730 10.072 1.00 15.23 H new ATOM 0 HB2 GLU A 45 6.347 -11.961 9.011 1.00 22.25 H new ATOM 0 HB3 GLU A 45 7.930 -11.724 8.295 1.00 22.25 H new ATOM 0 HG2 GLU A 45 8.924 -11.641 10.606 1.00 33.04 H new ATOM 0 HG3 GLU A 45 7.338 -11.972 11.275 1.00 33.04 H new ATOM 746 N LYS A 46 9.302 -9.068 8.538 1.00 32.41 N ATOM 747 CA LYS A 46 10.641 -8.445 8.637 1.00 45.42 C ATOM 748 C LYS A 46 10.552 -6.968 9.060 1.00 52.23 C ATOM 749 O LYS A 46 11.221 -6.543 10.017 1.00 2.05 O ATOM 750 CB LYS A 46 11.367 -8.566 7.272 1.00 72.12 C ATOM 751 CG LYS A 46 11.685 -10.017 6.852 1.00 43.12 C ATOM 752 CD LYS A 46 12.199 -10.125 5.400 1.00 74.23 C ATOM 753 CE LYS A 46 13.474 -9.308 5.123 1.00 64.10 C ATOM 754 NZ LYS A 46 13.887 -9.420 3.696 1.00 1.51 N ATOM 0 H LYS A 46 9.053 -9.336 7.586 1.00 32.41 H new ATOM 0 HA LYS A 46 11.206 -8.972 9.406 1.00 45.42 H new ATOM 0 HB2 LYS A 46 10.749 -8.104 6.502 1.00 72.12 H new ATOM 0 HB3 LYS A 46 12.298 -8.000 7.316 1.00 72.12 H new ATOM 0 HG2 LYS A 46 12.434 -10.430 7.528 1.00 43.12 H new ATOM 0 HG3 LYS A 46 10.787 -10.626 6.960 1.00 43.12 H new ATOM 0 HD2 LYS A 46 12.395 -11.173 5.172 1.00 74.23 H new ATOM 0 HD3 LYS A 46 11.413 -9.793 4.722 1.00 74.23 H new ATOM 0 HE2 LYS A 46 13.300 -8.261 5.373 1.00 64.10 H new ATOM 0 HE3 LYS A 46 14.281 -9.659 5.766 1.00 64.10 H new ATOM 0 HZ1 LYS A 46 14.788 -9.937 3.635 1.00 1.51 H new ATOM 0 HZ2 LYS A 46 13.156 -9.933 3.162 1.00 1.51 H new ATOM 0 HZ3 LYS A 46 14.006 -8.469 3.293 1.00 1.51 H new ATOM 768 N ALA A 47 9.701 -6.202 8.349 1.00 4.10 N ATOM 769 CA ALA A 47 9.483 -4.766 8.615 1.00 2.44 C ATOM 770 C ALA A 47 8.881 -4.557 10.022 1.00 4.24 C ATOM 771 O ALA A 47 9.373 -3.741 10.809 1.00 25.04 O ATOM 772 CB ALA A 47 8.571 -4.166 7.531 1.00 72.03 C ATOM 0 H ALA A 47 9.145 -6.562 7.573 1.00 4.10 H new ATOM 0 HA ALA A 47 10.443 -4.252 8.585 1.00 2.44 H new ATOM 0 HB1 ALA A 47 8.414 -3.106 7.733 1.00 72.03 H new ATOM 0 HB2 ALA A 47 9.041 -4.284 6.554 1.00 72.03 H new ATOM 0 HB3 ALA A 47 7.611 -4.682 7.536 1.00 72.03 H new ATOM 778 N ARG A 48 7.861 -5.375 10.328 1.00 22.30 N ATOM 779 CA ARG A 48 7.111 -5.366 11.610 1.00 72.11 C ATOM 780 C ARG A 48 8.037 -5.638 12.811 1.00 35.30 C ATOM 781 O ARG A 48 7.925 -4.987 13.859 1.00 51.43 O ATOM 782 CB ARG A 48 6.006 -6.452 11.549 1.00 40.34 C ATOM 783 CG ARG A 48 5.151 -6.605 12.824 1.00 61.04 C ATOM 784 CD ARG A 48 4.126 -7.742 12.699 1.00 32.44 C ATOM 785 NE ARG A 48 3.211 -7.817 13.850 1.00 41.30 N ATOM 786 CZ ARG A 48 3.378 -8.591 14.931 1.00 54.05 C ATOM 787 NH1 ARG A 48 4.445 -9.373 15.048 1.00 61.30 N ATOM 788 NH2 ARG A 48 2.456 -8.587 15.885 1.00 42.40 N ATOM 0 H ARG A 48 7.520 -6.083 9.678 1.00 22.30 H new ATOM 0 HA ARG A 48 6.671 -4.378 11.748 1.00 72.11 H new ATOM 0 HB2 ARG A 48 5.343 -6.224 10.714 1.00 40.34 H new ATOM 0 HB3 ARG A 48 6.476 -7.411 11.331 1.00 40.34 H new ATOM 0 HG2 ARG A 48 5.803 -6.797 13.676 1.00 61.04 H new ATOM 0 HG3 ARG A 48 4.631 -5.669 13.026 1.00 61.04 H new ATOM 0 HD2 ARG A 48 3.545 -7.602 11.788 1.00 32.44 H new ATOM 0 HD3 ARG A 48 4.653 -8.691 12.598 1.00 32.44 H new ATOM 0 HE ARG A 48 2.378 -7.229 13.822 1.00 41.30 H new ATOM 0 HH11 ARG A 48 5.149 -9.389 14.310 1.00 61.30 H new ATOM 0 HH12 ARG A 48 4.561 -9.958 15.876 1.00 61.30 H new ATOM 0 HH21 ARG A 48 1.628 -7.998 15.792 1.00 42.40 H new ATOM 0 HH22 ARG A 48 2.575 -9.173 16.711 1.00 42.40 H new ATOM 802 N LYS A 49 8.956 -6.603 12.615 1.00 24.52 N ATOM 803 CA LYS A 49 9.956 -7.017 13.624 1.00 63.32 C ATOM 804 C LYS A 49 10.892 -5.847 13.994 1.00 51.44 C ATOM 805 O LYS A 49 11.373 -5.750 15.125 1.00 64.30 O ATOM 806 CB LYS A 49 10.781 -8.208 13.062 1.00 1.43 C ATOM 807 CG LYS A 49 11.735 -8.889 14.069 1.00 11.11 C ATOM 808 CD LYS A 49 12.622 -9.975 13.415 1.00 20.15 C ATOM 809 CE LYS A 49 11.811 -11.056 12.677 1.00 41.33 C ATOM 810 NZ LYS A 49 12.692 -12.088 12.069 1.00 13.44 N ATOM 0 H LYS A 49 9.027 -7.125 11.741 1.00 24.52 H new ATOM 0 HA LYS A 49 9.435 -7.323 14.531 1.00 63.32 H new ATOM 0 HB2 LYS A 49 10.089 -8.958 12.679 1.00 1.43 H new ATOM 0 HB3 LYS A 49 11.368 -7.853 12.215 1.00 1.43 H new ATOM 0 HG2 LYS A 49 12.373 -8.133 14.527 1.00 11.11 H new ATOM 0 HG3 LYS A 49 11.149 -9.339 14.870 1.00 11.11 H new ATOM 0 HD2 LYS A 49 13.307 -9.501 12.712 1.00 20.15 H new ATOM 0 HD3 LYS A 49 13.232 -10.449 14.184 1.00 20.15 H new ATOM 0 HE2 LYS A 49 11.121 -11.532 13.374 1.00 41.33 H new ATOM 0 HE3 LYS A 49 11.207 -10.589 11.899 1.00 41.33 H new ATOM 0 HZ1 LYS A 49 12.109 -12.798 11.581 1.00 13.44 H new ATOM 0 HZ2 LYS A 49 13.334 -11.638 11.385 1.00 13.44 H new ATOM 0 HZ3 LYS A 49 13.250 -12.551 12.815 1.00 13.44 H new ATOM 824 N GLN A 50 11.148 -4.968 13.008 1.00 52.51 N ATOM 825 CA GLN A 50 11.989 -3.768 13.185 1.00 75.12 C ATOM 826 C GLN A 50 11.134 -2.516 13.465 1.00 63.31 C ATOM 827 O GLN A 50 11.682 -1.414 13.589 1.00 35.32 O ATOM 828 CB GLN A 50 12.872 -3.560 11.925 1.00 53.25 C ATOM 829 CG GLN A 50 13.804 -4.741 11.572 1.00 15.11 C ATOM 830 CD GLN A 50 14.657 -5.228 12.755 1.00 63.23 C ATOM 831 OE1 GLN A 50 15.746 -4.719 13.005 1.00 44.44 O ATOM 832 NE2 GLN A 50 14.177 -6.232 13.471 1.00 71.01 N ATOM 0 H GLN A 50 10.777 -5.069 12.063 1.00 52.51 H new ATOM 0 HA GLN A 50 12.631 -3.922 14.052 1.00 75.12 H new ATOM 0 HB2 GLN A 50 12.221 -3.365 11.073 1.00 53.25 H new ATOM 0 HB3 GLN A 50 13.482 -2.668 12.071 1.00 53.25 H new ATOM 0 HG2 GLN A 50 13.201 -5.571 11.204 1.00 15.11 H new ATOM 0 HG3 GLN A 50 14.464 -4.441 10.758 1.00 15.11 H new ATOM 0 HE21 GLN A 50 13.269 -6.635 13.240 1.00 71.01 H new ATOM 0 HE22 GLN A 50 14.715 -6.603 14.254 1.00 71.01 H new ATOM 841 N GLY A 51 9.797 -2.689 13.550 1.00 12.22 N ATOM 842 CA GLY A 51 8.866 -1.585 13.826 1.00 44.52 C ATOM 843 C GLY A 51 8.834 -0.565 12.701 1.00 55.20 C ATOM 844 O GLY A 51 8.925 0.647 12.934 1.00 34.50 O ATOM 0 H GLY A 51 9.340 -3.593 13.429 1.00 12.22 H new ATOM 0 HA2 GLY A 51 7.864 -1.987 13.978 1.00 44.52 H new ATOM 0 HA3 GLY A 51 9.156 -1.091 14.753 1.00 44.52 H new ATOM 848 N ARG A 52 8.698 -1.073 11.472 1.00 22.21 N ATOM 849 CA ARG A 52 8.903 -0.303 10.232 1.00 13.22 C ATOM 850 C ARG A 52 7.784 -0.577 9.214 1.00 2.13 C ATOM 851 O ARG A 52 7.122 -1.624 9.275 1.00 23.51 O ATOM 852 CB ARG A 52 10.302 -0.652 9.623 1.00 61.33 C ATOM 853 CG ARG A 52 11.469 0.030 10.356 1.00 53.35 C ATOM 854 CD ARG A 52 12.855 -0.362 9.819 1.00 3.22 C ATOM 855 NE ARG A 52 13.903 0.545 10.327 1.00 25.04 N ATOM 856 CZ ARG A 52 14.374 0.592 11.586 1.00 64.42 C ATOM 857 NH1 ARG A 52 13.933 -0.230 12.529 1.00 11.25 N ATOM 858 NH2 ARG A 52 15.255 1.514 11.897 1.00 44.13 N ATOM 0 H ARG A 52 8.439 -2.045 11.304 1.00 22.21 H new ATOM 0 HA ARG A 52 8.872 0.759 10.474 1.00 13.22 H new ATOM 0 HB2 ARG A 52 10.445 -1.732 9.652 1.00 61.33 H new ATOM 0 HB3 ARG A 52 10.318 -0.357 8.574 1.00 61.33 H new ATOM 0 HG2 ARG A 52 11.352 1.111 10.278 1.00 53.35 H new ATOM 0 HG3 ARG A 52 11.416 -0.221 11.415 1.00 53.35 H new ATOM 0 HD2 ARG A 52 13.084 -1.387 10.112 1.00 3.22 H new ATOM 0 HD3 ARG A 52 12.846 -0.336 8.729 1.00 3.22 H new ATOM 0 HE ARG A 52 14.309 1.200 9.658 1.00 25.04 H new ATOM 0 HH11 ARG A 52 13.217 -0.922 12.308 1.00 11.25 H new ATOM 0 HH12 ARG A 52 14.310 -0.170 13.475 1.00 11.25 H new ATOM 0 HH21 ARG A 52 15.570 2.178 11.189 1.00 44.13 H new ATOM 0 HH22 ARG A 52 15.625 1.567 12.846 1.00 44.13 H new ATOM 872 N PRO A 53 7.540 0.383 8.272 1.00 72.21 N ATOM 873 CA PRO A 53 6.564 0.204 7.195 1.00 71.33 C ATOM 874 C PRO A 53 7.067 -0.697 6.048 1.00 70.20 C ATOM 875 O PRO A 53 8.269 -0.958 5.898 1.00 4.12 O ATOM 876 CB PRO A 53 6.313 1.646 6.710 1.00 42.01 C ATOM 877 CG PRO A 53 7.618 2.336 6.945 1.00 15.31 C ATOM 878 CD PRO A 53 8.164 1.740 8.216 1.00 61.54 C ATOM 0 HA PRO A 53 5.667 -0.308 7.544 1.00 71.33 H new ATOM 0 HB2 PRO A 53 6.032 1.670 5.657 1.00 42.01 H new ATOM 0 HB3 PRO A 53 5.504 2.120 7.267 1.00 42.01 H new ATOM 0 HG2 PRO A 53 8.302 2.177 6.111 1.00 15.31 H new ATOM 0 HG3 PRO A 53 7.481 3.413 7.044 1.00 15.31 H new ATOM 0 HD2 PRO A 53 9.252 1.679 8.194 1.00 61.54 H new ATOM 0 HD3 PRO A 53 7.896 2.339 9.086 1.00 61.54 H new ATOM 886 N ILE A 54 6.100 -1.152 5.252 1.00 3.04 N ATOM 887 CA ILE A 54 6.319 -1.886 4.010 1.00 41.41 C ATOM 888 C ILE A 54 5.225 -1.451 3.021 1.00 10.32 C ATOM 889 O ILE A 54 4.038 -1.583 3.311 1.00 45.34 O ATOM 890 CB ILE A 54 6.295 -3.457 4.214 1.00 53.52 C ATOM 891 CG1 ILE A 54 6.288 -4.195 2.827 1.00 20.14 C ATOM 892 CG2 ILE A 54 5.116 -3.904 5.115 1.00 2.01 C ATOM 893 CD1 ILE A 54 6.169 -5.704 2.887 1.00 64.03 C ATOM 0 H ILE A 54 5.111 -1.014 5.462 1.00 3.04 H new ATOM 0 HA ILE A 54 7.313 -1.653 3.628 1.00 41.41 H new ATOM 0 HB ILE A 54 7.208 -3.741 4.738 1.00 53.52 H new ATOM 0 HG12 ILE A 54 5.460 -3.807 2.234 1.00 20.14 H new ATOM 0 HG13 ILE A 54 7.206 -3.942 2.297 1.00 20.14 H new ATOM 0 HG21 ILE A 54 5.136 -4.988 5.229 1.00 2.01 H new ATOM 0 HG22 ILE A 54 5.208 -3.434 6.094 1.00 2.01 H new ATOM 0 HG23 ILE A 54 4.174 -3.605 4.656 1.00 2.01 H new ATOM 0 HD11 ILE A 54 6.174 -6.110 1.875 1.00 64.03 H new ATOM 0 HD12 ILE A 54 7.010 -6.113 3.447 1.00 64.03 H new ATOM 0 HD13 ILE A 54 5.237 -5.976 3.382 1.00 64.03 H new ATOM 905 N VAL A 55 5.633 -0.911 1.868 1.00 64.02 N ATOM 906 CA VAL A 55 4.709 -0.543 0.801 1.00 54.21 C ATOM 907 C VAL A 55 4.624 -1.708 -0.201 1.00 54.21 C ATOM 908 O VAL A 55 5.566 -1.980 -0.955 1.00 4.43 O ATOM 909 CB VAL A 55 5.160 0.781 0.077 1.00 42.51 C ATOM 910 CG1 VAL A 55 4.193 1.135 -1.065 1.00 52.44 C ATOM 911 CG2 VAL A 55 5.274 1.954 1.076 1.00 3.33 C ATOM 0 H VAL A 55 6.611 -0.719 1.653 1.00 64.02 H new ATOM 0 HA VAL A 55 3.726 -0.351 1.232 1.00 54.21 H new ATOM 0 HB VAL A 55 6.148 0.606 -0.350 1.00 42.51 H new ATOM 0 HG11 VAL A 55 4.524 2.053 -1.551 1.00 52.44 H new ATOM 0 HG12 VAL A 55 4.178 0.324 -1.793 1.00 52.44 H new ATOM 0 HG13 VAL A 55 3.191 1.279 -0.662 1.00 52.44 H new ATOM 0 HG21 VAL A 55 5.587 2.854 0.546 1.00 3.33 H new ATOM 0 HG22 VAL A 55 4.306 2.128 1.545 1.00 3.33 H new ATOM 0 HG23 VAL A 55 6.010 1.709 1.842 1.00 3.33 H new ATOM 921 N VAL A 56 3.489 -2.410 -0.142 1.00 40.35 N ATOM 922 CA VAL A 56 3.148 -3.494 -1.057 1.00 33.05 C ATOM 923 C VAL A 56 2.411 -2.910 -2.270 1.00 43.11 C ATOM 924 O VAL A 56 1.275 -2.435 -2.146 1.00 31.42 O ATOM 925 CB VAL A 56 2.229 -4.560 -0.350 1.00 24.43 C ATOM 926 CG1 VAL A 56 1.909 -5.737 -1.297 1.00 63.42 C ATOM 927 CG2 VAL A 56 2.860 -5.055 0.977 1.00 54.25 C ATOM 0 H VAL A 56 2.769 -2.234 0.559 1.00 40.35 H new ATOM 0 HA VAL A 56 4.067 -3.988 -1.373 1.00 33.05 H new ATOM 0 HB VAL A 56 1.286 -4.073 -0.102 1.00 24.43 H new ATOM 0 HG11 VAL A 56 1.273 -6.457 -0.781 1.00 63.42 H new ATOM 0 HG12 VAL A 56 1.391 -5.363 -2.180 1.00 63.42 H new ATOM 0 HG13 VAL A 56 2.836 -6.224 -1.599 1.00 63.42 H new ATOM 0 HG21 VAL A 56 2.202 -5.790 1.441 1.00 54.25 H new ATOM 0 HG22 VAL A 56 3.827 -5.513 0.771 1.00 54.25 H new ATOM 0 HG23 VAL A 56 2.995 -4.211 1.653 1.00 54.25 H new ATOM 937 N PHE A 57 3.078 -2.927 -3.427 1.00 72.33 N ATOM 938 CA PHE A 57 2.497 -2.468 -4.683 1.00 2.44 C ATOM 939 C PHE A 57 1.620 -3.579 -5.273 1.00 24.44 C ATOM 940 O PHE A 57 2.110 -4.608 -5.748 1.00 2.22 O ATOM 941 CB PHE A 57 3.628 -2.057 -5.652 1.00 11.02 C ATOM 942 CG PHE A 57 4.437 -0.866 -5.134 1.00 60.32 C ATOM 943 CD1 PHE A 57 3.878 0.413 -5.137 1.00 64.34 C ATOM 944 CD2 PHE A 57 5.733 -1.020 -4.633 1.00 43.00 C ATOM 945 CE1 PHE A 57 4.582 1.499 -4.657 1.00 0.31 C ATOM 946 CE2 PHE A 57 6.438 0.071 -4.154 1.00 73.25 C ATOM 947 CZ PHE A 57 5.860 1.326 -4.167 1.00 33.54 C ATOM 0 H PHE A 57 4.038 -3.261 -3.515 1.00 72.33 H new ATOM 0 HA PHE A 57 1.867 -1.595 -4.513 1.00 2.44 H new ATOM 0 HB2 PHE A 57 4.295 -2.905 -5.808 1.00 11.02 H new ATOM 0 HB3 PHE A 57 3.198 -1.806 -6.622 1.00 11.02 H new ATOM 0 HD1 PHE A 57 2.879 0.555 -5.521 1.00 64.34 H new ATOM 0 HD2 PHE A 57 6.188 -1.999 -4.619 1.00 43.00 H new ATOM 0 HE1 PHE A 57 4.134 2.481 -4.665 1.00 0.31 H new ATOM 0 HE2 PHE A 57 7.439 -0.059 -3.770 1.00 73.25 H new ATOM 0 HZ PHE A 57 6.411 2.176 -3.792 1.00 33.54 H new ATOM 957 N VAL A 58 0.319 -3.350 -5.166 1.00 65.12 N ATOM 958 CA VAL A 58 -0.745 -4.195 -5.720 1.00 63.42 C ATOM 959 C VAL A 58 -1.287 -3.508 -6.998 1.00 53.42 C ATOM 960 O VAL A 58 -1.059 -2.317 -7.190 1.00 52.22 O ATOM 961 CB VAL A 58 -1.875 -4.428 -4.641 1.00 32.44 C ATOM 962 CG1 VAL A 58 -3.017 -5.331 -5.169 1.00 51.24 C ATOM 963 CG2 VAL A 58 -1.272 -5.019 -3.342 1.00 54.15 C ATOM 0 H VAL A 58 -0.046 -2.537 -4.670 1.00 65.12 H new ATOM 0 HA VAL A 58 -0.361 -5.180 -5.986 1.00 63.42 H new ATOM 0 HB VAL A 58 -2.312 -3.454 -4.420 1.00 32.44 H new ATOM 0 HG11 VAL A 58 -3.768 -5.460 -4.390 1.00 51.24 H new ATOM 0 HG12 VAL A 58 -3.475 -4.865 -6.041 1.00 51.24 H new ATOM 0 HG13 VAL A 58 -2.612 -6.304 -5.448 1.00 51.24 H new ATOM 0 HG21 VAL A 58 -2.065 -5.173 -2.610 1.00 54.15 H new ATOM 0 HG22 VAL A 58 -0.793 -5.973 -3.564 1.00 54.15 H new ATOM 0 HG23 VAL A 58 -0.533 -4.328 -2.937 1.00 54.15 H new ATOM 973 N ARG A 59 -1.878 -4.269 -7.934 1.00 63.01 N ATOM 974 CA ARG A 59 -2.560 -3.673 -9.107 1.00 53.13 C ATOM 975 C ARG A 59 -3.893 -3.019 -8.701 1.00 43.14 C ATOM 976 O ARG A 59 -4.567 -3.490 -7.772 1.00 30.12 O ATOM 977 CB ARG A 59 -2.816 -4.728 -10.204 1.00 32.04 C ATOM 978 CG ARG A 59 -1.578 -5.114 -11.024 1.00 64.23 C ATOM 979 CD ARG A 59 -1.910 -6.093 -12.166 1.00 3.35 C ATOM 980 NE ARG A 59 -3.144 -5.727 -12.899 1.00 71.42 N ATOM 981 CZ ARG A 59 -3.284 -4.704 -13.771 1.00 35.21 C ATOM 982 NH1 ARG A 59 -2.271 -3.893 -14.063 1.00 44.22 N ATOM 983 NH2 ARG A 59 -4.467 -4.479 -14.315 1.00 3.24 N ATOM 0 H ARG A 59 -1.901 -5.288 -7.907 1.00 63.01 H new ATOM 0 HA ARG A 59 -1.897 -2.906 -9.507 1.00 53.13 H new ATOM 0 HB2 ARG A 59 -3.221 -5.626 -9.738 1.00 32.04 H new ATOM 0 HB3 ARG A 59 -3.580 -4.349 -10.882 1.00 32.04 H new ATOM 0 HG2 ARG A 59 -1.127 -4.214 -11.441 1.00 64.23 H new ATOM 0 HG3 ARG A 59 -0.836 -5.566 -10.366 1.00 64.23 H new ATOM 0 HD2 ARG A 59 -1.074 -6.125 -12.865 1.00 3.35 H new ATOM 0 HD3 ARG A 59 -2.021 -7.097 -11.756 1.00 3.35 H new ATOM 0 HE ARG A 59 -3.968 -6.303 -12.729 1.00 71.42 H new ATOM 0 HH11 ARG A 59 -1.361 -4.036 -13.625 1.00 44.22 H new ATOM 0 HH12 ARG A 59 -2.404 -3.128 -14.725 1.00 44.22 H new ATOM 0 HH21 ARG A 59 -5.260 -5.074 -14.075 1.00 3.24 H new ATOM 0 HH22 ARG A 59 -4.587 -3.710 -14.975 1.00 3.24 H new ATOM 997 N GLY A 60 -4.265 -1.956 -9.440 1.00 42.23 N ATOM 998 CA GLY A 60 -5.543 -1.268 -9.298 1.00 61.13 C ATOM 999 C GLY A 60 -6.628 -2.066 -9.984 1.00 13.22 C ATOM 1000 O GLY A 60 -7.025 -1.761 -11.113 1.00 4.35 O ATOM 0 H GLY A 60 -3.669 -1.552 -10.162 1.00 42.23 H new ATOM 0 HA2 GLY A 60 -5.784 -1.141 -8.243 1.00 61.13 H new ATOM 0 HA3 GLY A 60 -5.481 -0.271 -9.733 1.00 61.13 H new ATOM 1004 N GLY A 61 -7.056 -3.132 -9.303 1.00 54.40 N ATOM 1005 CA GLY A 61 -7.981 -4.120 -9.847 1.00 44.52 C ATOM 1006 C GLY A 61 -7.810 -5.466 -9.161 1.00 12.33 C ATOM 1007 O GLY A 61 -8.743 -6.280 -9.148 1.00 35.20 O ATOM 0 H GLY A 61 -6.764 -3.333 -8.346 1.00 54.40 H new ATOM 0 HA2 GLY A 61 -9.006 -3.771 -9.720 1.00 44.52 H new ATOM 0 HA3 GLY A 61 -7.812 -4.230 -10.918 1.00 44.52 H new ATOM 1011 N ASP A 62 -6.605 -5.713 -8.587 1.00 13.41 N ATOM 1012 CA ASP A 62 -6.320 -6.922 -7.791 1.00 33.12 C ATOM 1013 C ASP A 62 -6.850 -6.748 -6.356 1.00 53.31 C ATOM 1014 O ASP A 62 -6.088 -6.539 -5.404 1.00 51.53 O ATOM 1015 CB ASP A 62 -4.800 -7.271 -7.788 1.00 63.12 C ATOM 1016 CG ASP A 62 -4.238 -7.813 -9.117 1.00 1.11 C ATOM 1017 OD1 ASP A 62 -5.008 -8.086 -10.064 1.00 41.14 O ATOM 1018 OD2 ASP A 62 -2.997 -7.957 -9.206 1.00 32.31 O ATOM 0 H ASP A 62 -5.810 -5.079 -8.666 1.00 13.41 H new ATOM 0 HA ASP A 62 -6.837 -7.760 -8.258 1.00 33.12 H new ATOM 0 HB2 ASP A 62 -4.241 -6.376 -7.516 1.00 63.12 H new ATOM 0 HB3 ASP A 62 -4.617 -8.010 -7.008 1.00 63.12 H new ATOM 1023 N ASP A 63 -8.188 -6.793 -6.239 1.00 12.31 N ATOM 1024 CA ASP A 63 -8.906 -6.798 -4.955 1.00 25.50 C ATOM 1025 C ASP A 63 -8.588 -8.090 -4.175 1.00 63.43 C ATOM 1026 O ASP A 63 -8.606 -8.100 -2.944 1.00 12.21 O ATOM 1027 CB ASP A 63 -10.435 -6.687 -5.208 1.00 50.54 C ATOM 1028 CG ASP A 63 -11.265 -6.645 -3.912 1.00 61.14 C ATOM 1029 OD1 ASP A 63 -11.461 -5.550 -3.368 1.00 32.22 O ATOM 1030 OD2 ASP A 63 -11.728 -7.711 -3.439 1.00 50.44 O ATOM 0 H ASP A 63 -8.810 -6.827 -7.047 1.00 12.31 H new ATOM 0 HA ASP A 63 -8.581 -5.943 -4.361 1.00 25.50 H new ATOM 0 HB2 ASP A 63 -10.636 -5.787 -5.789 1.00 50.54 H new ATOM 0 HB3 ASP A 63 -10.759 -7.535 -5.811 1.00 50.54 H new ATOM 1035 N GLU A 64 -8.290 -9.158 -4.938 1.00 61.43 N ATOM 1036 CA GLU A 64 -7.922 -10.484 -4.415 1.00 22.52 C ATOM 1037 C GLU A 64 -6.660 -10.385 -3.521 1.00 32.10 C ATOM 1038 O GLU A 64 -6.629 -10.893 -2.406 1.00 71.15 O ATOM 1039 CB GLU A 64 -7.646 -11.449 -5.601 1.00 64.41 C ATOM 1040 CG GLU A 64 -7.722 -12.955 -5.245 1.00 30.53 C ATOM 1041 CD GLU A 64 -9.151 -13.532 -5.294 1.00 33.25 C ATOM 1042 OE1 GLU A 64 -9.803 -13.428 -6.351 1.00 12.33 O ATOM 1043 OE2 GLU A 64 -9.609 -14.128 -4.301 1.00 52.51 O ATOM 0 H GLU A 64 -8.299 -9.121 -5.957 1.00 61.43 H new ATOM 0 HA GLU A 64 -8.747 -10.866 -3.813 1.00 22.52 H new ATOM 0 HB2 GLU A 64 -8.364 -11.241 -6.395 1.00 64.41 H new ATOM 0 HB3 GLU A 64 -6.656 -11.235 -6.003 1.00 64.41 H new ATOM 0 HG2 GLU A 64 -7.090 -13.515 -5.934 1.00 30.53 H new ATOM 0 HG3 GLU A 64 -7.314 -13.104 -4.245 1.00 30.53 H new ATOM 1050 N ARG A 65 -5.625 -9.704 -4.045 1.00 61.44 N ATOM 1051 CA ARG A 65 -4.354 -9.483 -3.325 1.00 50.40 C ATOM 1052 C ARG A 65 -4.534 -8.451 -2.205 1.00 35.52 C ATOM 1053 O ARG A 65 -4.030 -8.638 -1.097 1.00 3.14 O ATOM 1054 CB ARG A 65 -3.239 -9.040 -4.317 1.00 52.31 C ATOM 1055 CG ARG A 65 -2.804 -10.143 -5.307 1.00 21.51 C ATOM 1056 CD ARG A 65 -1.710 -9.684 -6.285 1.00 5.43 C ATOM 1057 NE ARG A 65 -1.110 -10.826 -7.001 1.00 14.50 N ATOM 1058 CZ ARG A 65 -0.713 -10.834 -8.287 1.00 44.11 C ATOM 1059 NH1 ARG A 65 -0.844 -9.755 -9.047 1.00 2.53 N ATOM 1060 NH2 ARG A 65 -0.171 -11.925 -8.792 1.00 23.33 N ATOM 0 H ARG A 65 -5.644 -9.291 -4.978 1.00 61.44 H new ATOM 0 HA ARG A 65 -4.050 -10.424 -2.866 1.00 50.40 H new ATOM 0 HB2 ARG A 65 -3.592 -8.177 -4.882 1.00 52.31 H new ATOM 0 HB3 ARG A 65 -2.369 -8.714 -3.747 1.00 52.31 H new ATOM 0 HG2 ARG A 65 -2.442 -11.004 -4.745 1.00 21.51 H new ATOM 0 HG3 ARG A 65 -3.673 -10.476 -5.875 1.00 21.51 H new ATOM 0 HD2 ARG A 65 -2.135 -8.984 -7.005 1.00 5.43 H new ATOM 0 HD3 ARG A 65 -0.934 -9.148 -5.739 1.00 5.43 H new ATOM 0 HE ARG A 65 -0.984 -11.689 -6.472 1.00 14.50 H new ATOM 0 HH11 ARG A 65 -1.250 -8.904 -8.659 1.00 2.53 H new ATOM 0 HH12 ARG A 65 -0.538 -9.776 -10.020 1.00 2.53 H new ATOM 0 HH21 ARG A 65 -0.056 -12.754 -8.209 1.00 23.33 H new ATOM 0 HH22 ARG A 65 0.133 -11.940 -9.766 1.00 23.33 H new ATOM 1074 N ALA A 66 -5.298 -7.383 -2.507 1.00 33.25 N ATOM 1075 CA ALA A 66 -5.555 -6.271 -1.569 1.00 1.32 C ATOM 1076 C ALA A 66 -6.207 -6.756 -0.261 1.00 10.42 C ATOM 1077 O ALA A 66 -5.818 -6.321 0.822 1.00 20.31 O ATOM 1078 CB ALA A 66 -6.432 -5.210 -2.251 1.00 31.33 C ATOM 0 H ALA A 66 -5.756 -7.266 -3.411 1.00 33.25 H new ATOM 0 HA ALA A 66 -4.595 -5.830 -1.301 1.00 1.32 H new ATOM 0 HB1 ALA A 66 -6.619 -4.391 -1.556 1.00 31.33 H new ATOM 0 HB2 ALA A 66 -5.920 -4.827 -3.133 1.00 31.33 H new ATOM 0 HB3 ALA A 66 -7.380 -5.658 -2.548 1.00 31.33 H new ATOM 1084 N LYS A 67 -7.167 -7.691 -0.383 1.00 24.44 N ATOM 1085 CA LYS A 67 -7.953 -8.202 0.758 1.00 52.32 C ATOM 1086 C LYS A 67 -7.107 -9.153 1.634 1.00 22.51 C ATOM 1087 O LYS A 67 -7.202 -9.113 2.863 1.00 43.43 O ATOM 1088 CB LYS A 67 -9.241 -8.930 0.251 1.00 23.40 C ATOM 1089 CG LYS A 67 -8.995 -10.332 -0.348 1.00 43.05 C ATOM 1090 CD LYS A 67 -10.214 -10.957 -1.042 1.00 44.12 C ATOM 1091 CE LYS A 67 -9.949 -12.409 -1.467 1.00 72.12 C ATOM 1092 NZ LYS A 67 -11.096 -12.979 -2.212 1.00 33.32 N ATOM 0 H LYS A 67 -7.421 -8.115 -1.276 1.00 24.44 H new ATOM 0 HA LYS A 67 -8.250 -7.351 1.371 1.00 52.32 H new ATOM 0 HB2 LYS A 67 -9.941 -9.022 1.082 1.00 23.40 H new ATOM 0 HB3 LYS A 67 -9.722 -8.307 -0.503 1.00 23.40 H new ATOM 0 HG2 LYS A 67 -8.179 -10.267 -1.067 1.00 43.05 H new ATOM 0 HG3 LYS A 67 -8.666 -11.000 0.448 1.00 43.05 H new ATOM 0 HD2 LYS A 67 -11.070 -10.926 -0.368 1.00 44.12 H new ATOM 0 HD3 LYS A 67 -10.476 -10.364 -1.918 1.00 44.12 H new ATOM 0 HE2 LYS A 67 -9.055 -12.449 -2.089 1.00 72.12 H new ATOM 0 HE3 LYS A 67 -9.750 -13.016 -0.584 1.00 72.12 H new ATOM 0 HZ1 LYS A 67 -11.606 -13.651 -1.604 1.00 33.32 H new ATOM 0 HZ2 LYS A 67 -11.740 -12.214 -2.497 1.00 33.32 H new ATOM 0 HZ3 LYS A 67 -10.749 -13.473 -3.059 1.00 33.32 H new ATOM 1106 N ASP A 68 -6.279 -9.998 0.978 1.00 43.12 N ATOM 1107 CA ASP A 68 -5.507 -11.064 1.650 1.00 33.24 C ATOM 1108 C ASP A 68 -4.345 -10.482 2.459 1.00 71.13 C ATOM 1109 O ASP A 68 -4.152 -10.833 3.628 1.00 32.13 O ATOM 1110 CB ASP A 68 -4.988 -12.108 0.614 1.00 45.21 C ATOM 1111 CG ASP A 68 -6.091 -13.022 0.035 1.00 61.11 C ATOM 1112 OD1 ASP A 68 -7.023 -13.400 0.786 1.00 32.45 O ATOM 1113 OD2 ASP A 68 -6.021 -13.391 -1.158 1.00 62.55 O ATOM 0 H ASP A 68 -6.129 -9.959 -0.030 1.00 43.12 H new ATOM 0 HA ASP A 68 -6.176 -11.572 2.344 1.00 33.24 H new ATOM 0 HB2 ASP A 68 -4.501 -11.580 -0.206 1.00 45.21 H new ATOM 0 HB3 ASP A 68 -4.228 -12.729 1.089 1.00 45.21 H new ATOM 1118 N ILE A 69 -3.595 -9.575 1.829 1.00 22.32 N ATOM 1119 CA ILE A 69 -2.421 -8.935 2.441 1.00 4.14 C ATOM 1120 C ILE A 69 -2.860 -7.983 3.581 1.00 1.05 C ATOM 1121 O ILE A 69 -2.161 -7.843 4.590 1.00 42.20 O ATOM 1122 CB ILE A 69 -1.589 -8.167 1.350 1.00 24.24 C ATOM 1123 CG1 ILE A 69 -1.174 -9.136 0.190 1.00 22.24 C ATOM 1124 CG2 ILE A 69 -0.353 -7.492 1.978 1.00 74.12 C ATOM 1125 CD1 ILE A 69 -0.523 -8.469 -1.010 1.00 1.45 C ATOM 0 H ILE A 69 -3.783 -9.261 0.877 1.00 22.32 H new ATOM 0 HA ILE A 69 -1.783 -9.706 2.873 1.00 4.14 H new ATOM 0 HB ILE A 69 -2.218 -7.384 0.927 1.00 24.24 H new ATOM 0 HG12 ILE A 69 -0.485 -9.881 0.589 1.00 22.24 H new ATOM 0 HG13 ILE A 69 -2.061 -9.671 -0.149 1.00 22.24 H new ATOM 0 HG21 ILE A 69 0.207 -6.967 1.204 1.00 74.12 H new ATOM 0 HG22 ILE A 69 -0.674 -6.781 2.739 1.00 74.12 H new ATOM 0 HG23 ILE A 69 0.283 -8.250 2.435 1.00 74.12 H new ATOM 0 HD11 ILE A 69 -0.274 -9.224 -1.755 1.00 1.45 H new ATOM 0 HD12 ILE A 69 -1.214 -7.746 -1.443 1.00 1.45 H new ATOM 0 HD13 ILE A 69 0.386 -7.958 -0.693 1.00 1.45 H new ATOM 1137 N ALA A 70 -4.039 -7.363 3.407 1.00 70.22 N ATOM 1138 CA ALA A 70 -4.671 -6.515 4.438 1.00 74.34 C ATOM 1139 C ALA A 70 -5.141 -7.346 5.647 1.00 42.32 C ATOM 1140 O ALA A 70 -5.014 -6.915 6.789 1.00 4.41 O ATOM 1141 CB ALA A 70 -5.845 -5.756 3.823 1.00 14.40 C ATOM 0 H ALA A 70 -4.583 -7.434 2.547 1.00 70.22 H new ATOM 0 HA ALA A 70 -3.928 -5.805 4.802 1.00 74.34 H new ATOM 0 HB1 ALA A 70 -6.312 -5.130 4.583 1.00 14.40 H new ATOM 0 HB2 ALA A 70 -5.486 -5.129 3.007 1.00 14.40 H new ATOM 0 HB3 ALA A 70 -6.577 -6.467 3.439 1.00 14.40 H new ATOM 1147 N GLU A 71 -5.710 -8.532 5.353 1.00 24.23 N ATOM 1148 CA GLU A 71 -6.112 -9.544 6.364 1.00 11.52 C ATOM 1149 C GLU A 71 -4.897 -9.989 7.194 1.00 1.45 C ATOM 1150 O GLU A 71 -4.988 -10.141 8.411 1.00 1.40 O ATOM 1151 CB GLU A 71 -6.782 -10.753 5.625 1.00 4.44 C ATOM 1152 CG GLU A 71 -6.872 -12.099 6.391 1.00 24.40 C ATOM 1153 CD GLU A 71 -7.747 -12.089 7.658 1.00 23.24 C ATOM 1154 OE1 GLU A 71 -8.826 -11.464 7.652 1.00 61.41 O ATOM 1155 OE2 GLU A 71 -7.377 -12.749 8.656 1.00 33.34 O ATOM 0 H GLU A 71 -5.908 -8.823 4.396 1.00 24.23 H new ATOM 0 HA GLU A 71 -6.832 -9.112 7.059 1.00 11.52 H new ATOM 0 HB2 GLU A 71 -7.793 -10.457 5.344 1.00 4.44 H new ATOM 0 HB3 GLU A 71 -6.233 -10.928 4.700 1.00 4.44 H new ATOM 0 HG2 GLU A 71 -7.259 -12.858 5.711 1.00 24.40 H new ATOM 0 HG3 GLU A 71 -5.864 -12.405 6.670 1.00 24.40 H new ATOM 1162 N TYR A 72 -3.756 -10.169 6.517 1.00 25.12 N ATOM 1163 CA TYR A 72 -2.489 -10.529 7.171 1.00 15.01 C ATOM 1164 C TYR A 72 -2.084 -9.403 8.145 1.00 43.54 C ATOM 1165 O TYR A 72 -1.984 -9.615 9.356 1.00 43.13 O ATOM 1166 CB TYR A 72 -1.391 -10.758 6.092 1.00 24.11 C ATOM 1167 CG TYR A 72 -0.109 -11.418 6.622 1.00 42.01 C ATOM 1168 CD1 TYR A 72 0.938 -10.664 7.155 1.00 22.22 C ATOM 1169 CD2 TYR A 72 0.039 -12.803 6.607 1.00 12.51 C ATOM 1170 CE1 TYR A 72 2.081 -11.270 7.647 1.00 72.14 C ATOM 1171 CE2 TYR A 72 1.176 -13.409 7.104 1.00 62.42 C ATOM 1172 CZ TYR A 72 2.191 -12.639 7.619 1.00 22.12 C ATOM 1173 OH TYR A 72 3.318 -13.244 8.120 1.00 73.45 O ATOM 0 H TYR A 72 -3.684 -10.070 5.504 1.00 25.12 H new ATOM 0 HA TYR A 72 -2.608 -11.453 7.737 1.00 15.01 H new ATOM 0 HB2 TYR A 72 -1.804 -11.380 5.297 1.00 24.11 H new ATOM 0 HB3 TYR A 72 -1.133 -9.798 5.644 1.00 24.11 H new ATOM 0 HD1 TYR A 72 0.855 -9.588 7.184 1.00 22.22 H new ATOM 0 HD2 TYR A 72 -0.751 -13.415 6.198 1.00 12.51 H new ATOM 0 HE1 TYR A 72 2.883 -10.669 8.051 1.00 72.14 H new ATOM 0 HE2 TYR A 72 1.267 -14.485 7.088 1.00 62.42 H new ATOM 0 HH TYR A 72 4.102 -12.948 7.611 1.00 73.45 H new ATOM 1183 N ALA A 73 -1.974 -8.194 7.581 1.00 3.02 N ATOM 1184 CA ALA A 73 -1.477 -6.990 8.260 1.00 12.22 C ATOM 1185 C ALA A 73 -2.345 -6.558 9.467 1.00 32.44 C ATOM 1186 O ALA A 73 -1.815 -6.059 10.465 1.00 2.35 O ATOM 1187 CB ALA A 73 -1.409 -5.860 7.237 1.00 4.22 C ATOM 0 H ALA A 73 -2.236 -8.021 6.611 1.00 3.02 H new ATOM 0 HA ALA A 73 -0.492 -7.220 8.667 1.00 12.22 H new ATOM 0 HB1 ALA A 73 -1.042 -4.954 7.719 1.00 4.22 H new ATOM 0 HB2 ALA A 73 -0.733 -6.141 6.429 1.00 4.22 H new ATOM 0 HB3 ALA A 73 -2.404 -5.677 6.830 1.00 4.22 H new ATOM 1193 N GLN A 74 -3.678 -6.744 9.355 1.00 34.42 N ATOM 1194 CA GLN A 74 -4.632 -6.345 10.416 1.00 62.34 C ATOM 1195 C GLN A 74 -4.462 -7.239 11.654 1.00 1.53 C ATOM 1196 O GLN A 74 -4.447 -6.756 12.788 1.00 34.01 O ATOM 1197 CB GLN A 74 -6.102 -6.431 9.918 1.00 4.22 C ATOM 1198 CG GLN A 74 -7.136 -5.872 10.925 1.00 64.33 C ATOM 1199 CD GLN A 74 -8.596 -6.169 10.569 1.00 52.44 C ATOM 1200 OE1 GLN A 74 -9.149 -7.188 10.969 1.00 21.42 O ATOM 1201 NE2 GLN A 74 -9.240 -5.281 9.839 1.00 23.52 N ATOM 0 H GLN A 74 -4.120 -7.169 8.540 1.00 34.42 H new ATOM 0 HA GLN A 74 -4.414 -5.310 10.679 1.00 62.34 H new ATOM 0 HB2 GLN A 74 -6.190 -5.884 8.979 1.00 4.22 H new ATOM 0 HB3 GLN A 74 -6.343 -7.472 9.704 1.00 4.22 H new ATOM 0 HG2 GLN A 74 -6.924 -6.286 11.911 1.00 64.33 H new ATOM 0 HG3 GLN A 74 -7.006 -4.792 10.998 1.00 64.33 H new ATOM 0 HE21 GLN A 74 -8.760 -4.441 9.517 1.00 23.52 H new ATOM 0 HE22 GLN A 74 -10.219 -5.434 9.596 1.00 23.52 H new ATOM 1210 N LYS A 75 -4.322 -8.550 11.404 1.00 63.14 N ATOM 1211 CA LYS A 75 -4.163 -9.578 12.464 1.00 61.25 C ATOM 1212 C LYS A 75 -2.736 -9.556 13.043 1.00 74.13 C ATOM 1213 O LYS A 75 -2.485 -10.120 14.110 1.00 34.13 O ATOM 1214 CB LYS A 75 -4.559 -10.993 11.925 1.00 40.32 C ATOM 1215 CG LYS A 75 -6.093 -11.240 11.833 1.00 4.40 C ATOM 1216 CD LYS A 75 -6.810 -10.242 10.893 1.00 35.33 C ATOM 1217 CE LYS A 75 -8.317 -10.198 11.076 1.00 23.44 C ATOM 1218 NZ LYS A 75 -8.984 -11.475 10.725 1.00 24.05 N ATOM 0 H LYS A 75 -4.315 -8.936 10.460 1.00 63.14 H new ATOM 0 HA LYS A 75 -4.843 -9.341 13.283 1.00 61.25 H new ATOM 0 HB2 LYS A 75 -4.122 -11.127 10.936 1.00 40.32 H new ATOM 0 HB3 LYS A 75 -4.119 -11.751 12.573 1.00 40.32 H new ATOM 0 HG2 LYS A 75 -6.271 -12.256 11.480 1.00 4.40 H new ATOM 0 HG3 LYS A 75 -6.528 -11.168 12.830 1.00 4.40 H new ATOM 0 HD2 LYS A 75 -6.404 -9.244 11.061 1.00 35.33 H new ATOM 0 HD3 LYS A 75 -6.587 -10.507 9.860 1.00 35.33 H new ATOM 0 HE2 LYS A 75 -8.544 -9.950 12.113 1.00 23.44 H new ATOM 0 HE3 LYS A 75 -8.729 -9.399 10.460 1.00 23.44 H new ATOM 0 HZ1 LYS A 75 -9.846 -11.277 10.178 1.00 24.05 H new ATOM 0 HZ2 LYS A 75 -8.339 -12.058 10.155 1.00 24.05 H new ATOM 0 HZ3 LYS A 75 -9.235 -11.986 11.595 1.00 24.05 H new ATOM 1232 N GLU A 76 -1.821 -8.890 12.315 1.00 23.00 N ATOM 1233 CA GLU A 76 -0.471 -8.544 12.825 1.00 55.05 C ATOM 1234 C GLU A 76 -0.532 -7.322 13.777 1.00 53.04 C ATOM 1235 O GLU A 76 0.442 -7.031 14.492 1.00 62.04 O ATOM 1236 CB GLU A 76 0.501 -8.269 11.641 1.00 23.14 C ATOM 1237 CG GLU A 76 0.826 -9.489 10.752 1.00 73.55 C ATOM 1238 CD GLU A 76 1.632 -10.586 11.469 1.00 73.30 C ATOM 1239 OE1 GLU A 76 1.029 -11.425 12.173 1.00 12.10 O ATOM 1240 OE2 GLU A 76 2.871 -10.620 11.319 1.00 42.22 O ATOM 0 H GLU A 76 -1.991 -8.575 11.360 1.00 23.00 H new ATOM 0 HA GLU A 76 -0.094 -9.394 13.394 1.00 55.05 H new ATOM 0 HB2 GLU A 76 0.070 -7.489 11.014 1.00 23.14 H new ATOM 0 HB3 GLU A 76 1.434 -7.876 12.044 1.00 23.14 H new ATOM 0 HG2 GLU A 76 -0.107 -9.918 10.386 1.00 73.55 H new ATOM 0 HG3 GLU A 76 1.386 -9.152 9.880 1.00 73.55 H new ATOM 1247 N GLY A 77 -1.675 -6.620 13.771 1.00 74.22 N ATOM 1248 CA GLY A 77 -1.899 -5.449 14.623 1.00 2.33 C ATOM 1249 C GLY A 77 -1.194 -4.212 14.097 1.00 22.35 C ATOM 1250 O GLY A 77 -0.706 -3.384 14.870 1.00 11.03 O ATOM 0 H GLY A 77 -2.469 -6.851 13.174 1.00 74.22 H new ATOM 0 HA2 GLY A 77 -2.969 -5.253 14.693 1.00 2.33 H new ATOM 0 HA3 GLY A 77 -1.547 -5.664 15.632 1.00 2.33 H new ATOM 1254 N LEU A 78 -1.127 -4.098 12.757 1.00 25.32 N ATOM 1255 CA LEU A 78 -0.409 -3.006 12.071 1.00 22.11 C ATOM 1256 C LEU A 78 -1.409 -2.029 11.442 1.00 25.21 C ATOM 1257 O LEU A 78 -2.520 -2.428 11.071 1.00 71.02 O ATOM 1258 CB LEU A 78 0.530 -3.586 10.973 1.00 34.10 C ATOM 1259 CG LEU A 78 1.508 -4.713 11.434 1.00 32.03 C ATOM 1260 CD1 LEU A 78 2.488 -5.110 10.312 1.00 72.23 C ATOM 1261 CD2 LEU A 78 2.254 -4.329 12.730 1.00 63.02 C ATOM 0 H LEU A 78 -1.569 -4.760 12.119 1.00 25.32 H new ATOM 0 HA LEU A 78 0.194 -2.471 12.804 1.00 22.11 H new ATOM 0 HB2 LEU A 78 -0.087 -3.977 10.164 1.00 34.10 H new ATOM 0 HB3 LEU A 78 1.119 -2.768 10.558 1.00 34.10 H new ATOM 0 HG LEU A 78 0.902 -5.590 11.660 1.00 32.03 H new ATOM 0 HD11 LEU A 78 3.152 -5.896 10.670 1.00 72.23 H new ATOM 0 HD12 LEU A 78 1.927 -5.473 9.451 1.00 72.23 H new ATOM 0 HD13 LEU A 78 3.078 -4.241 10.020 1.00 72.23 H new ATOM 0 HD21 LEU A 78 2.924 -5.139 13.018 1.00 63.02 H new ATOM 0 HD22 LEU A 78 2.833 -3.421 12.561 1.00 63.02 H new ATOM 0 HD23 LEU A 78 1.532 -4.155 13.528 1.00 63.02 H new ATOM 1273 N ARG A 79 -1.007 -0.746 11.333 1.00 32.21 N ATOM 1274 CA ARG A 79 -1.768 0.269 10.587 1.00 11.11 C ATOM 1275 C ARG A 79 -1.681 -0.074 9.093 1.00 75.11 C ATOM 1276 O ARG A 79 -0.588 -0.167 8.539 1.00 53.05 O ATOM 1277 CB ARG A 79 -1.223 1.711 10.878 1.00 42.51 C ATOM 1278 CG ARG A 79 -1.741 2.411 12.172 1.00 32.23 C ATOM 1279 CD ARG A 79 -1.494 1.632 13.487 1.00 1.31 C ATOM 1280 NE ARG A 79 -2.449 0.523 13.663 1.00 2.14 N ATOM 1281 CZ ARG A 79 -2.332 -0.496 14.544 1.00 73.44 C ATOM 1282 NH1 ARG A 79 -1.291 -0.584 15.375 1.00 42.44 N ATOM 1283 NH2 ARG A 79 -3.265 -1.434 14.566 1.00 65.11 N ATOM 0 H ARG A 79 -0.151 -0.389 11.758 1.00 32.21 H new ATOM 0 HA ARG A 79 -2.811 0.262 10.905 1.00 11.11 H new ATOM 0 HB2 ARG A 79 -0.136 1.659 10.932 1.00 42.51 H new ATOM 0 HB3 ARG A 79 -1.469 2.345 10.027 1.00 42.51 H new ATOM 0 HG2 ARG A 79 -1.265 3.388 12.253 1.00 32.23 H new ATOM 0 HG3 ARG A 79 -2.812 2.586 12.068 1.00 32.23 H new ATOM 0 HD2 ARG A 79 -0.478 1.238 13.489 1.00 1.31 H new ATOM 0 HD3 ARG A 79 -1.573 2.315 14.333 1.00 1.31 H new ATOM 0 HE ARG A 79 -3.275 0.524 13.064 1.00 2.14 H new ATOM 0 HH11 ARG A 79 -0.561 0.128 15.355 1.00 42.44 H new ATOM 0 HH12 ARG A 79 -1.226 -1.363 16.030 1.00 42.44 H new ATOM 0 HH21 ARG A 79 -4.057 -1.381 13.925 1.00 65.11 H new ATOM 0 HH22 ARG A 79 -3.193 -2.210 15.224 1.00 65.11 H new ATOM 1297 N VAL A 80 -2.835 -0.338 8.475 1.00 33.43 N ATOM 1298 CA VAL A 80 -2.910 -0.706 7.061 1.00 3.11 C ATOM 1299 C VAL A 80 -3.411 0.511 6.275 1.00 54.04 C ATOM 1300 O VAL A 80 -4.525 0.974 6.502 1.00 54.52 O ATOM 1301 CB VAL A 80 -3.866 -1.934 6.838 1.00 12.13 C ATOM 1302 CG1 VAL A 80 -3.819 -2.436 5.374 1.00 14.14 C ATOM 1303 CG2 VAL A 80 -3.570 -3.071 7.848 1.00 71.10 C ATOM 0 H VAL A 80 -3.742 -0.302 8.941 1.00 33.43 H new ATOM 0 HA VAL A 80 -1.921 -1.002 6.712 1.00 3.11 H new ATOM 0 HB VAL A 80 -4.885 -1.594 7.024 1.00 12.13 H new ATOM 0 HG11 VAL A 80 -4.493 -3.285 5.259 1.00 14.14 H new ATOM 0 HG12 VAL A 80 -4.129 -1.634 4.704 1.00 14.14 H new ATOM 0 HG13 VAL A 80 -2.803 -2.743 5.127 1.00 14.14 H new ATOM 0 HG21 VAL A 80 -4.248 -3.905 7.666 1.00 71.10 H new ATOM 0 HG22 VAL A 80 -2.541 -3.408 7.726 1.00 71.10 H new ATOM 0 HG23 VAL A 80 -3.713 -2.702 8.864 1.00 71.10 H new ATOM 1313 N ILE A 81 -2.558 1.045 5.392 1.00 42.22 N ATOM 1314 CA ILE A 81 -2.884 2.227 4.577 1.00 3.32 C ATOM 1315 C ILE A 81 -3.030 1.762 3.120 1.00 22.01 C ATOM 1316 O ILE A 81 -2.065 1.336 2.510 1.00 15.22 O ATOM 1317 CB ILE A 81 -1.780 3.373 4.693 1.00 53.04 C ATOM 1318 CG1 ILE A 81 -1.862 4.166 6.053 1.00 14.44 C ATOM 1319 CG2 ILE A 81 -1.878 4.364 3.503 1.00 63.42 C ATOM 1320 CD1 ILE A 81 -1.558 3.374 7.318 1.00 14.01 C ATOM 0 H ILE A 81 -1.624 0.673 5.221 1.00 42.22 H new ATOM 0 HA ILE A 81 -3.812 2.666 4.942 1.00 3.32 H new ATOM 0 HB ILE A 81 -0.815 2.867 4.665 1.00 53.04 H new ATOM 0 HG12 ILE A 81 -1.169 5.006 6.001 1.00 14.44 H new ATOM 0 HG13 ILE A 81 -2.864 4.585 6.145 1.00 14.44 H new ATOM 0 HG21 ILE A 81 -1.114 5.135 3.607 1.00 63.42 H new ATOM 0 HG22 ILE A 81 -1.725 3.826 2.568 1.00 63.42 H new ATOM 0 HG23 ILE A 81 -2.864 4.829 3.497 1.00 63.42 H new ATOM 0 HD11 ILE A 81 -1.647 4.027 8.186 1.00 14.01 H new ATOM 0 HD12 ILE A 81 -2.265 2.550 7.410 1.00 14.01 H new ATOM 0 HD13 ILE A 81 -0.544 2.978 7.264 1.00 14.01 H new ATOM 1332 N VAL A 82 -4.244 1.839 2.575 1.00 51.12 N ATOM 1333 CA VAL A 82 -4.519 1.405 1.194 1.00 24.14 C ATOM 1334 C VAL A 82 -4.585 2.649 0.284 1.00 2.45 C ATOM 1335 O VAL A 82 -5.471 3.469 0.431 1.00 14.13 O ATOM 1336 CB VAL A 82 -5.874 0.592 1.136 1.00 10.21 C ATOM 1337 CG1 VAL A 82 -6.190 0.113 -0.299 1.00 12.23 C ATOM 1338 CG2 VAL A 82 -5.848 -0.596 2.139 1.00 64.35 C ATOM 0 H VAL A 82 -5.061 2.199 3.068 1.00 51.12 H new ATOM 0 HA VAL A 82 -3.721 0.749 0.846 1.00 24.14 H new ATOM 0 HB VAL A 82 -6.678 1.265 1.433 1.00 10.21 H new ATOM 0 HG11 VAL A 82 -7.128 -0.442 -0.299 1.00 12.23 H new ATOM 0 HG12 VAL A 82 -6.279 0.976 -0.959 1.00 12.23 H new ATOM 0 HG13 VAL A 82 -5.386 -0.533 -0.652 1.00 12.23 H new ATOM 0 HG21 VAL A 82 -6.790 -1.141 2.082 1.00 64.35 H new ATOM 0 HG22 VAL A 82 -5.025 -1.266 1.888 1.00 64.35 H new ATOM 0 HG23 VAL A 82 -5.710 -0.215 3.151 1.00 64.35 H new ATOM 1348 N ILE A 83 -3.615 2.806 -0.632 1.00 21.25 N ATOM 1349 CA ILE A 83 -3.585 3.942 -1.579 1.00 62.43 C ATOM 1350 C ILE A 83 -3.947 3.426 -2.977 1.00 41.52 C ATOM 1351 O ILE A 83 -3.139 2.779 -3.633 1.00 35.45 O ATOM 1352 CB ILE A 83 -2.161 4.619 -1.603 1.00 62.21 C ATOM 1353 CG1 ILE A 83 -1.746 5.045 -0.161 1.00 2.43 C ATOM 1354 CG2 ILE A 83 -2.121 5.820 -2.589 1.00 1.11 C ATOM 1355 CD1 ILE A 83 -0.334 5.568 -0.022 1.00 73.04 C ATOM 0 H ILE A 83 -2.835 2.158 -0.740 1.00 21.25 H new ATOM 0 HA ILE A 83 -4.306 4.695 -1.259 1.00 62.43 H new ATOM 0 HB ILE A 83 -1.437 3.889 -1.965 1.00 62.21 H new ATOM 0 HG12 ILE A 83 -2.436 5.814 0.186 1.00 2.43 H new ATOM 0 HG13 ILE A 83 -1.865 4.188 0.502 1.00 2.43 H new ATOM 0 HG21 ILE A 83 -1.126 6.264 -2.581 1.00 1.11 H new ATOM 0 HG22 ILE A 83 -2.356 5.473 -3.595 1.00 1.11 H new ATOM 0 HG23 ILE A 83 -2.854 6.567 -2.283 1.00 1.11 H new ATOM 0 HD11 ILE A 83 -0.146 5.836 1.018 1.00 73.04 H new ATOM 0 HD12 ILE A 83 0.372 4.797 -0.331 1.00 73.04 H new ATOM 0 HD13 ILE A 83 -0.208 6.448 -0.652 1.00 73.04 H new ATOM 1367 N ILE A 84 -5.166 3.711 -3.425 1.00 62.45 N ATOM 1368 CA ILE A 84 -5.658 3.236 -4.725 1.00 23.13 C ATOM 1369 C ILE A 84 -5.395 4.321 -5.778 1.00 12.15 C ATOM 1370 O ILE A 84 -5.969 5.407 -5.694 1.00 23.13 O ATOM 1371 CB ILE A 84 -7.197 2.910 -4.663 1.00 21.42 C ATOM 1372 CG1 ILE A 84 -7.505 1.983 -3.450 1.00 23.31 C ATOM 1373 CG2 ILE A 84 -7.681 2.270 -5.991 1.00 5.02 C ATOM 1374 CD1 ILE A 84 -8.975 1.756 -3.190 1.00 64.11 C ATOM 0 H ILE A 84 -5.840 4.273 -2.906 1.00 62.45 H new ATOM 0 HA ILE A 84 -5.133 2.318 -4.991 1.00 23.13 H new ATOM 0 HB ILE A 84 -7.743 3.844 -4.527 1.00 21.42 H new ATOM 0 HG12 ILE A 84 -7.026 1.018 -3.616 1.00 23.31 H new ATOM 0 HG13 ILE A 84 -7.054 2.414 -2.556 1.00 23.31 H new ATOM 0 HG21 ILE A 84 -8.747 2.054 -5.923 1.00 5.02 H new ATOM 0 HG22 ILE A 84 -7.502 2.961 -6.814 1.00 5.02 H new ATOM 0 HG23 ILE A 84 -7.134 1.344 -6.169 1.00 5.02 H new ATOM 0 HD11 ILE A 84 -9.095 1.099 -2.328 1.00 64.11 H new ATOM 0 HD12 ILE A 84 -9.461 2.711 -2.989 1.00 64.11 H new ATOM 0 HD13 ILE A 84 -9.432 1.294 -4.065 1.00 64.11 H new ATOM 1386 N VAL A 85 -4.465 4.042 -6.702 1.00 33.21 N ATOM 1387 CA VAL A 85 -4.204 4.895 -7.871 1.00 11.33 C ATOM 1388 C VAL A 85 -5.002 4.349 -9.080 1.00 33.51 C ATOM 1389 O VAL A 85 -4.611 3.354 -9.704 1.00 63.22 O ATOM 1390 CB VAL A 85 -2.661 4.936 -8.203 1.00 53.41 C ATOM 1391 CG1 VAL A 85 -2.345 6.035 -9.249 1.00 52.23 C ATOM 1392 CG2 VAL A 85 -1.827 5.104 -6.911 1.00 2.24 C ATOM 0 H VAL A 85 -3.870 3.215 -6.660 1.00 33.21 H new ATOM 0 HA VAL A 85 -4.523 5.914 -7.651 1.00 11.33 H new ATOM 0 HB VAL A 85 -2.379 3.982 -8.649 1.00 53.41 H new ATOM 0 HG11 VAL A 85 -1.275 6.041 -9.459 1.00 52.23 H new ATOM 0 HG12 VAL A 85 -2.894 5.831 -10.168 1.00 52.23 H new ATOM 0 HG13 VAL A 85 -2.643 7.007 -8.857 1.00 52.23 H new ATOM 0 HG21 VAL A 85 -0.767 5.130 -7.163 1.00 2.24 H new ATOM 0 HG22 VAL A 85 -2.105 6.035 -6.417 1.00 2.24 H new ATOM 0 HG23 VAL A 85 -2.020 4.266 -6.241 1.00 2.24 H new ATOM 1402 N SER A 86 -6.138 5.007 -9.367 1.00 71.45 N ATOM 1403 CA SER A 86 -7.040 4.681 -10.480 1.00 15.33 C ATOM 1404 C SER A 86 -7.788 5.971 -10.884 1.00 12.22 C ATOM 1405 O SER A 86 -8.180 6.758 -10.020 1.00 31.45 O ATOM 1406 CB SER A 86 -8.057 3.575 -10.059 1.00 22.53 C ATOM 1407 OG SER A 86 -7.410 2.368 -9.659 1.00 52.42 O ATOM 0 H SER A 86 -6.461 5.802 -8.815 1.00 71.45 H new ATOM 0 HA SER A 86 -6.465 4.298 -11.323 1.00 15.33 H new ATOM 0 HB2 SER A 86 -8.672 3.944 -9.238 1.00 22.53 H new ATOM 0 HB3 SER A 86 -8.728 3.366 -10.892 1.00 22.53 H new ATOM 0 HG SER A 86 -8.084 1.705 -9.403 1.00 52.42 H new ATOM 1413 N GLN A 87 -7.981 6.172 -12.194 1.00 73.34 N ATOM 1414 CA GLN A 87 -8.676 7.364 -12.744 1.00 24.34 C ATOM 1415 C GLN A 87 -10.212 7.209 -12.687 1.00 44.10 C ATOM 1416 O GLN A 87 -10.948 8.115 -13.092 1.00 41.35 O ATOM 1417 CB GLN A 87 -8.200 7.618 -14.200 1.00 61.52 C ATOM 1418 CG GLN A 87 -8.435 6.446 -15.176 1.00 71.34 C ATOM 1419 CD GLN A 87 -7.892 6.718 -16.584 1.00 11.45 C ATOM 1420 OE1 GLN A 87 -8.603 7.215 -17.455 1.00 5.23 O ATOM 1421 NE2 GLN A 87 -6.621 6.417 -16.807 1.00 32.34 N ATOM 0 H GLN A 87 -7.663 5.518 -12.910 1.00 73.34 H new ATOM 0 HA GLN A 87 -8.420 8.225 -12.126 1.00 24.34 H new ATOM 0 HB2 GLN A 87 -8.712 8.500 -14.585 1.00 61.52 H new ATOM 0 HB3 GLN A 87 -7.135 7.849 -14.183 1.00 61.52 H new ATOM 0 HG2 GLN A 87 -7.962 5.549 -14.778 1.00 71.34 H new ATOM 0 HG3 GLN A 87 -9.504 6.242 -15.238 1.00 71.34 H new ATOM 0 HE21 GLN A 87 -6.056 6.005 -16.064 1.00 32.34 H new ATOM 0 HE22 GLN A 87 -6.207 6.597 -17.722 1.00 32.34 H new ATOM 1430 N ASP A 88 -10.681 6.051 -12.208 1.00 20.25 N ATOM 1431 CA ASP A 88 -12.107 5.763 -12.020 1.00 31.53 C ATOM 1432 C ASP A 88 -12.459 5.899 -10.537 1.00 51.02 C ATOM 1433 O ASP A 88 -11.953 5.140 -9.707 1.00 13.20 O ATOM 1434 CB ASP A 88 -12.429 4.344 -12.526 1.00 50.51 C ATOM 1435 CG ASP A 88 -12.179 4.185 -14.030 1.00 23.11 C ATOM 1436 OD1 ASP A 88 -13.086 4.489 -14.826 1.00 62.14 O ATOM 1437 OD2 ASP A 88 -11.071 3.780 -14.419 1.00 2.34 O ATOM 0 H ASP A 88 -10.073 5.278 -11.937 1.00 20.25 H new ATOM 0 HA ASP A 88 -12.703 6.474 -12.593 1.00 31.53 H new ATOM 0 HB2 ASP A 88 -11.821 3.621 -11.982 1.00 50.51 H new ATOM 0 HB3 ASP A 88 -13.471 4.112 -12.308 1.00 50.51 H new ATOM 1442 N GLU A 89 -13.341 6.863 -10.238 1.00 54.05 N ATOM 1443 CA GLU A 89 -13.750 7.232 -8.864 1.00 55.24 C ATOM 1444 C GLU A 89 -14.547 6.116 -8.183 1.00 21.32 C ATOM 1445 O GLU A 89 -14.516 6.002 -6.962 1.00 44.33 O ATOM 1446 CB GLU A 89 -14.559 8.565 -8.875 1.00 43.14 C ATOM 1447 CG GLU A 89 -13.717 9.831 -9.160 1.00 5.42 C ATOM 1448 CD GLU A 89 -12.947 9.796 -10.491 1.00 1.25 C ATOM 1449 OE1 GLU A 89 -13.578 9.936 -11.554 1.00 3.20 O ATOM 1450 OE2 GLU A 89 -11.713 9.623 -10.475 1.00 23.23 O ATOM 0 H GLU A 89 -13.803 7.423 -10.955 1.00 54.05 H new ATOM 0 HA GLU A 89 -12.841 7.379 -8.280 1.00 55.24 H new ATOM 0 HB2 GLU A 89 -15.344 8.491 -9.627 1.00 43.14 H new ATOM 0 HB3 GLU A 89 -15.052 8.683 -7.910 1.00 43.14 H new ATOM 0 HG2 GLU A 89 -14.376 10.699 -9.159 1.00 5.42 H new ATOM 0 HG3 GLU A 89 -13.005 9.970 -8.346 1.00 5.42 H new ATOM 1457 N GLU A 90 -15.255 5.309 -8.980 1.00 31.55 N ATOM 1458 CA GLU A 90 -15.991 4.134 -8.483 1.00 15.24 C ATOM 1459 C GLU A 90 -15.023 2.982 -8.129 1.00 45.52 C ATOM 1460 O GLU A 90 -15.278 2.232 -7.191 1.00 61.25 O ATOM 1461 CB GLU A 90 -17.053 3.670 -9.510 1.00 31.32 C ATOM 1462 CG GLU A 90 -18.158 4.708 -9.788 1.00 61.23 C ATOM 1463 CD GLU A 90 -19.273 4.157 -10.690 1.00 61.34 C ATOM 1464 OE1 GLU A 90 -20.061 3.317 -10.211 1.00 61.52 O ATOM 1465 OE2 GLU A 90 -19.342 4.530 -11.887 1.00 10.50 O ATOM 0 H GLU A 90 -15.336 5.449 -9.987 1.00 31.55 H new ATOM 0 HA GLU A 90 -16.511 4.426 -7.571 1.00 15.24 H new ATOM 0 HB2 GLU A 90 -16.554 3.427 -10.448 1.00 31.32 H new ATOM 0 HB3 GLU A 90 -17.515 2.752 -9.148 1.00 31.32 H new ATOM 0 HG2 GLU A 90 -18.590 5.036 -8.842 1.00 61.23 H new ATOM 0 HG3 GLU A 90 -17.716 5.586 -10.258 1.00 61.23 H new ATOM 1472 N ALA A 91 -13.906 2.868 -8.877 1.00 14.32 N ATOM 1473 CA ALA A 91 -12.831 1.884 -8.583 1.00 75.05 C ATOM 1474 C ALA A 91 -12.047 2.304 -7.325 1.00 40.14 C ATOM 1475 O ALA A 91 -11.587 1.451 -6.550 1.00 42.41 O ATOM 1476 CB ALA A 91 -11.888 1.740 -9.787 1.00 60.05 C ATOM 0 H ALA A 91 -13.720 3.447 -9.696 1.00 14.32 H new ATOM 0 HA ALA A 91 -13.292 0.915 -8.393 1.00 75.05 H new ATOM 0 HB1 ALA A 91 -11.108 1.016 -9.553 1.00 60.05 H new ATOM 0 HB2 ALA A 91 -12.454 1.397 -10.653 1.00 60.05 H new ATOM 0 HB3 ALA A 91 -11.433 2.705 -10.010 1.00 60.05 H new ATOM 1482 N LEU A 92 -11.900 3.631 -7.153 1.00 5.51 N ATOM 1483 CA LEU A 92 -11.336 4.239 -5.938 1.00 14.20 C ATOM 1484 C LEU A 92 -12.258 3.954 -4.738 1.00 53.55 C ATOM 1485 O LEU A 92 -11.806 3.500 -3.692 1.00 72.22 O ATOM 1486 CB LEU A 92 -11.175 5.786 -6.120 1.00 53.24 C ATOM 1487 CG LEU A 92 -10.172 6.266 -7.218 1.00 15.11 C ATOM 1488 CD1 LEU A 92 -10.149 7.811 -7.348 1.00 54.25 C ATOM 1489 CD2 LEU A 92 -8.764 5.715 -6.952 1.00 71.02 C ATOM 0 H LEU A 92 -12.172 4.314 -7.860 1.00 5.51 H new ATOM 0 HA LEU A 92 -10.353 3.804 -5.756 1.00 14.20 H new ATOM 0 HB2 LEU A 92 -12.155 6.205 -6.349 1.00 53.24 H new ATOM 0 HB3 LEU A 92 -10.862 6.210 -5.166 1.00 53.24 H new ATOM 0 HG LEU A 92 -10.521 5.869 -8.171 1.00 15.11 H new ATOM 0 HD11 LEU A 92 -9.439 8.100 -8.122 1.00 54.25 H new ATOM 0 HD12 LEU A 92 -11.143 8.168 -7.616 1.00 54.25 H new ATOM 0 HD13 LEU A 92 -9.849 8.252 -6.397 1.00 54.25 H new ATOM 0 HD21 LEU A 92 -8.084 6.063 -7.730 1.00 71.02 H new ATOM 0 HD22 LEU A 92 -8.414 6.065 -5.981 1.00 71.02 H new ATOM 0 HD23 LEU A 92 -8.793 4.625 -6.956 1.00 71.02 H new ATOM 1501 N ARG A 93 -13.566 4.180 -4.955 1.00 72.13 N ATOM 1502 CA ARG A 93 -14.597 4.201 -3.897 1.00 22.22 C ATOM 1503 C ARG A 93 -14.907 2.793 -3.357 1.00 54.45 C ATOM 1504 O ARG A 93 -15.100 2.623 -2.145 1.00 44.03 O ATOM 1505 CB ARG A 93 -15.890 4.860 -4.446 1.00 62.44 C ATOM 1506 CG ARG A 93 -16.962 5.192 -3.390 1.00 5.32 C ATOM 1507 CD ARG A 93 -18.195 5.868 -4.012 1.00 61.55 C ATOM 1508 NE ARG A 93 -19.206 6.223 -3.004 1.00 42.02 N ATOM 1509 CZ ARG A 93 -20.366 6.857 -3.271 1.00 35.44 C ATOM 1510 NH1 ARG A 93 -20.684 7.216 -4.514 1.00 60.21 N ATOM 1511 NH2 ARG A 93 -21.209 7.111 -2.284 1.00 52.45 N ATOM 0 H ARG A 93 -13.945 4.356 -5.886 1.00 72.13 H new ATOM 0 HA ARG A 93 -14.207 4.785 -3.064 1.00 22.22 H new ATOM 0 HB2 ARG A 93 -15.617 5.780 -4.964 1.00 62.44 H new ATOM 0 HB3 ARG A 93 -16.330 4.194 -5.189 1.00 62.44 H new ATOM 0 HG2 ARG A 93 -17.268 4.276 -2.884 1.00 5.32 H new ATOM 0 HG3 ARG A 93 -16.533 5.847 -2.632 1.00 5.32 H new ATOM 0 HD2 ARG A 93 -17.884 6.767 -4.544 1.00 61.55 H new ATOM 0 HD3 ARG A 93 -18.640 5.200 -4.749 1.00 61.55 H new ATOM 0 HE ARG A 93 -19.016 5.972 -2.034 1.00 42.02 H new ATOM 0 HH11 ARG A 93 -20.046 7.012 -5.283 1.00 60.21 H new ATOM 0 HH12 ARG A 93 -21.566 7.695 -4.697 1.00 60.21 H new ATOM 0 HH21 ARG A 93 -20.979 6.828 -1.331 1.00 52.45 H new ATOM 0 HH22 ARG A 93 -22.089 7.590 -2.475 1.00 52.45 H new ATOM 1525 N LYS A 94 -14.947 1.791 -4.262 1.00 62.24 N ATOM 1526 CA LYS A 94 -15.237 0.385 -3.891 1.00 52.40 C ATOM 1527 C LYS A 94 -14.157 -0.165 -2.950 1.00 52.22 C ATOM 1528 O LYS A 94 -14.469 -0.845 -1.970 1.00 12.51 O ATOM 1529 CB LYS A 94 -15.380 -0.523 -5.148 1.00 12.42 C ATOM 1530 CG LYS A 94 -16.725 -0.371 -5.897 1.00 22.44 C ATOM 1531 CD LYS A 94 -16.860 -1.348 -7.088 1.00 31.42 C ATOM 1532 CE LYS A 94 -18.255 -1.307 -7.731 1.00 43.15 C ATOM 1533 NZ LYS A 94 -18.599 0.044 -8.250 1.00 72.35 N ATOM 0 H LYS A 94 -14.782 1.929 -5.259 1.00 62.24 H new ATOM 0 HA LYS A 94 -16.192 0.377 -3.366 1.00 52.40 H new ATOM 0 HB2 LYS A 94 -14.567 -0.298 -5.838 1.00 12.42 H new ATOM 0 HB3 LYS A 94 -15.263 -1.563 -4.845 1.00 12.42 H new ATOM 0 HG2 LYS A 94 -17.545 -0.540 -5.199 1.00 22.44 H new ATOM 0 HG3 LYS A 94 -16.820 0.652 -6.260 1.00 22.44 H new ATOM 0 HD2 LYS A 94 -16.110 -1.104 -7.840 1.00 31.42 H new ATOM 0 HD3 LYS A 94 -16.651 -2.362 -6.747 1.00 31.42 H new ATOM 0 HE2 LYS A 94 -18.298 -2.029 -8.547 1.00 43.15 H new ATOM 0 HE3 LYS A 94 -19.000 -1.612 -6.996 1.00 43.15 H new ATOM 0 HZ1 LYS A 94 -19.527 0.010 -8.719 1.00 72.35 H new ATOM 0 HZ2 LYS A 94 -18.635 0.720 -7.461 1.00 72.35 H new ATOM 0 HZ3 LYS A 94 -17.876 0.348 -8.934 1.00 72.35 H new ATOM 1547 N GLY A 95 -12.889 0.142 -3.255 1.00 3.34 N ATOM 1548 CA GLY A 95 -11.781 -0.216 -2.374 1.00 74.41 C ATOM 1549 C GLY A 95 -11.713 0.678 -1.139 1.00 61.35 C ATOM 1550 O GLY A 95 -11.254 0.242 -0.081 1.00 43.34 O ATOM 0 H GLY A 95 -12.611 0.636 -4.103 1.00 3.34 H new ATOM 0 HA2 GLY A 95 -11.888 -1.255 -2.063 1.00 74.41 H new ATOM 0 HA3 GLY A 95 -10.843 -0.143 -2.925 1.00 74.41 H new ATOM 1554 N TYR A 96 -12.185 1.933 -1.293 1.00 71.43 N ATOM 1555 CA TYR A 96 -12.097 2.956 -0.240 1.00 13.12 C ATOM 1556 C TYR A 96 -12.962 2.597 0.962 1.00 43.44 C ATOM 1557 O TYR A 96 -12.436 2.377 2.054 1.00 51.02 O ATOM 1558 CB TYR A 96 -12.496 4.351 -0.799 1.00 74.31 C ATOM 1559 CG TYR A 96 -12.522 5.503 0.222 1.00 2.34 C ATOM 1560 CD1 TYR A 96 -11.340 6.068 0.699 1.00 32.40 C ATOM 1561 CD2 TYR A 96 -13.729 6.034 0.697 1.00 44.05 C ATOM 1562 CE1 TYR A 96 -11.356 7.110 1.607 1.00 61.32 C ATOM 1563 CE2 TYR A 96 -13.744 7.079 1.607 1.00 51.34 C ATOM 1564 CZ TYR A 96 -12.557 7.608 2.055 1.00 63.33 C ATOM 1565 OH TYR A 96 -12.564 8.651 2.953 1.00 51.02 O ATOM 0 H TYR A 96 -12.635 2.260 -2.148 1.00 71.43 H new ATOM 0 HA TYR A 96 -11.061 2.996 0.096 1.00 13.12 H new ATOM 0 HB2 TYR A 96 -11.801 4.614 -1.596 1.00 74.31 H new ATOM 0 HB3 TYR A 96 -13.484 4.270 -1.252 1.00 74.31 H new ATOM 0 HD1 TYR A 96 -10.392 5.684 0.352 1.00 32.40 H new ATOM 0 HD2 TYR A 96 -14.664 5.621 0.348 1.00 44.05 H new ATOM 0 HE1 TYR A 96 -10.428 7.532 1.964 1.00 61.32 H new ATOM 0 HE2 TYR A 96 -14.684 7.476 1.962 1.00 51.34 H new ATOM 0 HH TYR A 96 -13.489 8.889 3.171 1.00 51.02 H new ATOM 1575 N GLU A 97 -14.278 2.470 0.731 1.00 62.12 N ATOM 1576 CA GLU A 97 -15.256 2.267 1.808 1.00 41.33 C ATOM 1577 C GLU A 97 -15.145 0.852 2.395 1.00 61.31 C ATOM 1578 O GLU A 97 -15.236 0.686 3.607 1.00 54.23 O ATOM 1579 CB GLU A 97 -16.700 2.565 1.319 1.00 71.23 C ATOM 1580 CG GLU A 97 -16.914 4.020 0.843 1.00 54.13 C ATOM 1581 CD GLU A 97 -18.392 4.355 0.570 1.00 41.30 C ATOM 1582 OE1 GLU A 97 -19.146 4.587 1.538 1.00 32.11 O ATOM 1583 OE2 GLU A 97 -18.814 4.367 -0.607 1.00 74.45 O ATOM 0 H GLU A 97 -14.691 2.505 -0.201 1.00 62.12 H new ATOM 0 HA GLU A 97 -15.027 2.975 2.605 1.00 41.33 H new ATOM 0 HB2 GLU A 97 -16.943 1.886 0.501 1.00 71.23 H new ATOM 0 HB3 GLU A 97 -17.398 2.352 2.128 1.00 71.23 H new ATOM 0 HG2 GLU A 97 -16.526 4.704 1.598 1.00 54.13 H new ATOM 0 HG3 GLU A 97 -16.336 4.187 -0.066 1.00 54.13 H new ATOM 1590 N ASP A 98 -14.884 -0.144 1.522 1.00 24.24 N ATOM 1591 CA ASP A 98 -14.779 -1.562 1.932 1.00 34.14 C ATOM 1592 C ASP A 98 -13.649 -1.763 2.952 1.00 73.52 C ATOM 1593 O ASP A 98 -13.881 -2.280 4.045 1.00 34.41 O ATOM 1594 CB ASP A 98 -14.533 -2.471 0.701 1.00 64.34 C ATOM 1595 CG ASP A 98 -14.421 -3.969 1.062 1.00 44.32 C ATOM 1596 OD1 ASP A 98 -15.457 -4.600 1.327 1.00 73.41 O ATOM 1597 OD2 ASP A 98 -13.299 -4.517 1.113 1.00 10.41 O ATOM 0 H ASP A 98 -14.741 0.008 0.524 1.00 24.24 H new ATOM 0 HA ASP A 98 -15.724 -1.838 2.399 1.00 34.14 H new ATOM 0 HB2 ASP A 98 -15.347 -2.336 -0.011 1.00 64.34 H new ATOM 0 HB3 ASP A 98 -13.617 -2.155 0.202 1.00 64.34 H new ATOM 1602 N LYS A 99 -12.443 -1.297 2.592 1.00 75.21 N ATOM 1603 CA LYS A 99 -11.235 -1.434 3.430 1.00 42.02 C ATOM 1604 C LYS A 99 -11.333 -0.519 4.677 1.00 25.33 C ATOM 1605 O LYS A 99 -10.851 -0.875 5.756 1.00 43.14 O ATOM 1606 CB LYS A 99 -9.945 -1.132 2.593 1.00 22.24 C ATOM 1607 CG LYS A 99 -9.391 -2.321 1.759 1.00 71.54 C ATOM 1608 CD LYS A 99 -10.407 -2.898 0.754 1.00 44.42 C ATOM 1609 CE LYS A 99 -9.901 -4.160 0.034 1.00 33.40 C ATOM 1610 NZ LYS A 99 -10.984 -4.786 -0.769 1.00 70.40 N ATOM 0 H LYS A 99 -12.275 -0.813 1.710 1.00 75.21 H new ATOM 0 HA LYS A 99 -11.167 -2.464 3.779 1.00 42.02 H new ATOM 0 HB2 LYS A 99 -10.158 -0.305 1.916 1.00 22.24 H new ATOM 0 HB3 LYS A 99 -9.163 -0.793 3.273 1.00 22.24 H new ATOM 0 HG2 LYS A 99 -8.504 -1.992 1.217 1.00 71.54 H new ATOM 0 HG3 LYS A 99 -9.074 -3.113 2.438 1.00 71.54 H new ATOM 0 HD2 LYS A 99 -11.333 -3.134 1.279 1.00 44.42 H new ATOM 0 HD3 LYS A 99 -10.646 -2.136 0.012 1.00 44.42 H new ATOM 0 HE2 LYS A 99 -9.065 -3.902 -0.616 1.00 33.40 H new ATOM 0 HE3 LYS A 99 -9.527 -4.875 0.766 1.00 33.40 H new ATOM 0 HZ1 LYS A 99 -11.003 -5.810 -0.587 1.00 70.40 H new ATOM 0 HZ2 LYS A 99 -11.899 -4.370 -0.502 1.00 70.40 H new ATOM 0 HZ3 LYS A 99 -10.809 -4.617 -1.780 1.00 70.40 H new ATOM 1624 N LYS A 100 -11.997 0.636 4.513 1.00 75.32 N ATOM 1625 CA LYS A 100 -12.228 1.614 5.598 1.00 40.10 C ATOM 1626 C LYS A 100 -13.149 1.042 6.706 1.00 20.21 C ATOM 1627 O LYS A 100 -13.008 1.410 7.873 1.00 65.15 O ATOM 1628 CB LYS A 100 -12.807 2.921 4.991 1.00 72.32 C ATOM 1629 CG LYS A 100 -13.161 4.038 5.985 1.00 74.51 C ATOM 1630 CD LYS A 100 -13.499 5.368 5.270 1.00 44.42 C ATOM 1631 CE LYS A 100 -14.017 6.433 6.242 1.00 64.24 C ATOM 1632 NZ LYS A 100 -15.320 6.045 6.844 1.00 21.43 N ATOM 0 H LYS A 100 -12.393 0.923 3.618 1.00 75.32 H new ATOM 0 HA LYS A 100 -11.276 1.836 6.079 1.00 40.10 H new ATOM 0 HB2 LYS A 100 -12.084 3.316 4.277 1.00 72.32 H new ATOM 0 HB3 LYS A 100 -13.705 2.667 4.428 1.00 72.32 H new ATOM 0 HG2 LYS A 100 -14.011 3.727 6.592 1.00 74.51 H new ATOM 0 HG3 LYS A 100 -12.324 4.195 6.666 1.00 74.51 H new ATOM 0 HD2 LYS A 100 -12.609 5.743 4.764 1.00 44.42 H new ATOM 0 HD3 LYS A 100 -14.250 5.185 4.501 1.00 44.42 H new ATOM 0 HE2 LYS A 100 -13.284 6.590 7.033 1.00 64.24 H new ATOM 0 HE3 LYS A 100 -14.128 7.382 5.717 1.00 64.24 H new ATOM 0 HZ1 LYS A 100 -15.743 6.869 7.317 1.00 21.43 H new ATOM 0 HZ2 LYS A 100 -15.961 5.707 6.097 1.00 21.43 H new ATOM 0 HZ3 LYS A 100 -15.169 5.287 7.540 1.00 21.43 H new ATOM 1646 N LYS A 101 -14.061 0.117 6.336 1.00 55.43 N ATOM 1647 CA LYS A 101 -14.917 -0.617 7.310 1.00 2.43 C ATOM 1648 C LYS A 101 -14.067 -1.522 8.224 1.00 64.42 C ATOM 1649 O LYS A 101 -14.373 -1.692 9.406 1.00 71.01 O ATOM 1650 CB LYS A 101 -15.979 -1.473 6.573 1.00 3.42 C ATOM 1651 CG LYS A 101 -17.000 -0.652 5.766 1.00 5.12 C ATOM 1652 CD LYS A 101 -17.934 -1.532 4.902 1.00 41.43 C ATOM 1653 CE LYS A 101 -18.813 -0.694 3.960 1.00 44.22 C ATOM 1654 NZ LYS A 101 -19.706 0.252 4.682 1.00 63.04 N ATOM 0 H LYS A 101 -14.228 -0.145 5.364 1.00 55.43 H new ATOM 0 HA LYS A 101 -15.424 0.126 7.926 1.00 2.43 H new ATOM 0 HB2 LYS A 101 -15.470 -2.163 5.899 1.00 3.42 H new ATOM 0 HB3 LYS A 101 -16.513 -2.078 7.305 1.00 3.42 H new ATOM 0 HG2 LYS A 101 -17.603 -0.056 6.452 1.00 5.12 H new ATOM 0 HG3 LYS A 101 -16.468 0.046 5.120 1.00 5.12 H new ATOM 0 HD2 LYS A 101 -17.334 -2.227 4.314 1.00 41.43 H new ATOM 0 HD3 LYS A 101 -18.571 -2.131 5.553 1.00 41.43 H new ATOM 0 HE2 LYS A 101 -18.173 -0.132 3.279 1.00 44.22 H new ATOM 0 HE3 LYS A 101 -19.420 -1.362 3.349 1.00 44.22 H new ATOM 0 HZ1 LYS A 101 -20.273 0.788 3.994 1.00 63.04 H new ATOM 0 HZ2 LYS A 101 -20.339 -0.281 5.312 1.00 63.04 H new ATOM 0 HZ3 LYS A 101 -19.131 0.911 5.245 1.00 63.04 H new ATOM 1668 N LYS A 102 -12.989 -2.087 7.653 1.00 45.14 N ATOM 1669 CA LYS A 102 -11.999 -2.883 8.412 1.00 21.51 C ATOM 1670 C LYS A 102 -11.109 -1.969 9.284 1.00 71.22 C ATOM 1671 O LYS A 102 -10.442 -2.445 10.214 1.00 12.14 O ATOM 1672 CB LYS A 102 -11.099 -3.723 7.466 1.00 14.43 C ATOM 1673 CG LYS A 102 -11.741 -4.955 6.782 1.00 63.25 C ATOM 1674 CD LYS A 102 -12.686 -4.611 5.623 1.00 24.10 C ATOM 1675 CE LYS A 102 -13.190 -5.863 4.896 1.00 13.14 C ATOM 1676 NZ LYS A 102 -14.145 -5.527 3.810 1.00 70.31 N ATOM 0 H LYS A 102 -12.777 -2.008 6.658 1.00 45.14 H new ATOM 0 HA LYS A 102 -12.560 -3.561 9.055 1.00 21.51 H new ATOM 0 HB2 LYS A 102 -10.722 -3.063 6.685 1.00 14.43 H new ATOM 0 HB3 LYS A 102 -10.237 -4.066 8.038 1.00 14.43 H new ATOM 0 HG2 LYS A 102 -10.948 -5.603 6.409 1.00 63.25 H new ATOM 0 HG3 LYS A 102 -12.293 -5.524 7.529 1.00 63.25 H new ATOM 0 HD2 LYS A 102 -13.537 -4.048 6.005 1.00 24.10 H new ATOM 0 HD3 LYS A 102 -12.169 -3.965 4.914 1.00 24.10 H new ATOM 0 HE2 LYS A 102 -12.342 -6.406 4.478 1.00 13.14 H new ATOM 0 HE3 LYS A 102 -13.674 -6.528 5.611 1.00 13.14 H new ATOM 0 HZ1 LYS A 102 -14.953 -6.181 3.844 1.00 70.31 H new ATOM 0 HZ2 LYS A 102 -14.484 -4.552 3.935 1.00 70.31 H new ATOM 0 HZ3 LYS A 102 -13.668 -5.613 2.890 1.00 70.31 H new ATOM 1690 N GLY A 103 -11.123 -0.658 8.979 1.00 2.31 N ATOM 1691 CA GLY A 103 -10.358 0.345 9.720 1.00 41.31 C ATOM 1692 C GLY A 103 -9.054 0.724 9.039 1.00 21.44 C ATOM 1693 O GLY A 103 -8.201 1.378 9.652 1.00 50.04 O ATOM 0 H GLY A 103 -11.668 -0.270 8.209 1.00 2.31 H new ATOM 0 HA2 GLY A 103 -10.969 1.239 9.845 1.00 41.31 H new ATOM 0 HA3 GLY A 103 -10.142 -0.036 10.718 1.00 41.31 H new ATOM 1697 N TYR A 104 -8.905 0.326 7.762 1.00 13.53 N ATOM 1698 CA TYR A 104 -7.707 0.617 6.961 1.00 72.04 C ATOM 1699 C TYR A 104 -7.796 2.054 6.434 1.00 52.44 C ATOM 1700 O TYR A 104 -8.830 2.424 5.865 1.00 42.50 O ATOM 1701 CB TYR A 104 -7.584 -0.382 5.771 1.00 51.22 C ATOM 1702 CG TYR A 104 -7.654 -1.879 6.151 1.00 51.21 C ATOM 1703 CD1 TYR A 104 -7.230 -2.342 7.395 1.00 2.53 C ATOM 1704 CD2 TYR A 104 -8.153 -2.823 5.252 1.00 33.44 C ATOM 1705 CE1 TYR A 104 -7.291 -3.681 7.723 1.00 23.54 C ATOM 1706 CE2 TYR A 104 -8.224 -4.160 5.582 1.00 73.32 C ATOM 1707 CZ TYR A 104 -7.790 -4.584 6.814 1.00 35.11 C ATOM 1708 OH TYR A 104 -7.873 -5.921 7.149 1.00 51.14 O ATOM 0 H TYR A 104 -9.614 -0.207 7.258 1.00 13.53 H new ATOM 0 HA TYR A 104 -6.822 0.507 7.588 1.00 72.04 H new ATOM 0 HB2 TYR A 104 -8.379 -0.169 5.056 1.00 51.22 H new ATOM 0 HB3 TYR A 104 -6.639 -0.198 5.261 1.00 51.22 H new ATOM 0 HD1 TYR A 104 -6.845 -1.638 8.118 1.00 2.53 H new ATOM 0 HD2 TYR A 104 -8.490 -2.500 4.278 1.00 33.44 H new ATOM 0 HE1 TYR A 104 -6.948 -4.018 8.690 1.00 23.54 H new ATOM 0 HE2 TYR A 104 -8.620 -4.872 4.873 1.00 73.32 H new ATOM 0 HH TYR A 104 -6.979 -6.321 7.124 1.00 51.14 H new ATOM 1718 N ASP A 105 -6.730 2.854 6.641 1.00 61.22 N ATOM 1719 CA ASP A 105 -6.672 4.250 6.166 1.00 1.45 C ATOM 1720 C ASP A 105 -6.517 4.255 4.645 1.00 50.12 C ATOM 1721 O ASP A 105 -5.418 4.047 4.129 1.00 12.44 O ATOM 1722 CB ASP A 105 -5.475 5.005 6.806 1.00 73.15 C ATOM 1723 CG ASP A 105 -5.531 5.065 8.338 1.00 2.15 C ATOM 1724 OD1 ASP A 105 -5.138 4.075 8.994 1.00 22.45 O ATOM 1725 OD2 ASP A 105 -5.977 6.098 8.891 1.00 23.12 O ATOM 0 H ASP A 105 -5.892 2.553 7.138 1.00 61.22 H new ATOM 0 HA ASP A 105 -7.594 4.755 6.455 1.00 1.45 H new ATOM 0 HB2 ASP A 105 -4.547 4.519 6.504 1.00 73.15 H new ATOM 0 HB3 ASP A 105 -5.445 6.021 6.412 1.00 73.15 H new ATOM 1730 N VAL A 106 -7.617 4.498 3.920 1.00 11.11 N ATOM 1731 CA VAL A 106 -7.595 4.437 2.456 1.00 51.42 C ATOM 1732 C VAL A 106 -7.510 5.855 1.876 1.00 32.43 C ATOM 1733 O VAL A 106 -8.304 6.726 2.225 1.00 71.23 O ATOM 1734 CB VAL A 106 -8.833 3.676 1.843 1.00 30.43 C ATOM 1735 CG1 VAL A 106 -8.627 3.444 0.319 1.00 44.05 C ATOM 1736 CG2 VAL A 106 -9.090 2.340 2.577 1.00 64.22 C ATOM 0 H VAL A 106 -8.524 4.736 4.320 1.00 11.11 H new ATOM 0 HA VAL A 106 -6.711 3.863 2.180 1.00 51.42 H new ATOM 0 HB VAL A 106 -9.716 4.300 1.980 1.00 30.43 H new ATOM 0 HG11 VAL A 106 -9.490 2.918 -0.089 1.00 44.05 H new ATOM 0 HG12 VAL A 106 -8.517 4.405 -0.184 1.00 44.05 H new ATOM 0 HG13 VAL A 106 -7.729 2.847 0.160 1.00 44.05 H new ATOM 0 HG21 VAL A 106 -9.950 1.839 2.131 1.00 64.22 H new ATOM 0 HG22 VAL A 106 -8.211 1.701 2.488 1.00 64.22 H new ATOM 0 HG23 VAL A 106 -9.291 2.536 3.630 1.00 64.22 H new ATOM 1746 N TYR A 107 -6.502 6.070 1.030 1.00 61.34 N ATOM 1747 CA TYR A 107 -6.365 7.281 0.224 1.00 22.54 C ATOM 1748 C TYR A 107 -6.825 6.967 -1.211 1.00 20.10 C ATOM 1749 O TYR A 107 -6.558 5.876 -1.734 1.00 52.22 O ATOM 1750 CB TYR A 107 -4.890 7.735 0.208 1.00 64.55 C ATOM 1751 CG TYR A 107 -4.324 8.180 1.571 1.00 50.44 C ATOM 1752 CD1 TYR A 107 -4.668 9.412 2.129 1.00 22.23 C ATOM 1753 CD2 TYR A 107 -3.416 7.386 2.276 1.00 43.24 C ATOM 1754 CE1 TYR A 107 -4.127 9.836 3.329 1.00 21.32 C ATOM 1755 CE2 TYR A 107 -2.877 7.806 3.485 1.00 25.32 C ATOM 1756 CZ TYR A 107 -3.232 9.025 4.003 1.00 32.35 C ATOM 1757 OH TYR A 107 -2.684 9.445 5.201 1.00 71.24 O ATOM 0 H TYR A 107 -5.748 5.398 0.884 1.00 61.34 H new ATOM 0 HA TYR A 107 -6.974 8.080 0.647 1.00 22.54 H new ATOM 0 HB2 TYR A 107 -4.279 6.916 -0.171 1.00 64.55 H new ATOM 0 HB3 TYR A 107 -4.789 8.561 -0.496 1.00 64.55 H new ATOM 0 HD1 TYR A 107 -5.372 10.048 1.613 1.00 22.23 H new ATOM 0 HD2 TYR A 107 -3.128 6.427 1.873 1.00 43.24 H new ATOM 0 HE1 TYR A 107 -4.402 10.797 3.738 1.00 21.32 H new ATOM 0 HE2 TYR A 107 -2.180 7.174 4.016 1.00 25.32 H new ATOM 0 HH TYR A 107 -2.076 8.756 5.542 1.00 71.24 H new ATOM 1767 N THR A 108 -7.512 7.931 -1.830 1.00 51.41 N ATOM 1768 CA THR A 108 -7.946 7.845 -3.227 1.00 54.15 C ATOM 1769 C THR A 108 -7.079 8.807 -4.069 1.00 74.24 C ATOM 1770 O THR A 108 -6.901 9.980 -3.705 1.00 24.02 O ATOM 1771 CB THR A 108 -9.470 8.209 -3.353 1.00 13.02 C ATOM 1772 OG1 THR A 108 -9.734 9.496 -2.754 1.00 31.13 O ATOM 1773 CG2 THR A 108 -10.368 7.148 -2.684 1.00 71.12 C ATOM 0 H THR A 108 -7.785 8.800 -1.372 1.00 51.41 H new ATOM 0 HA THR A 108 -7.821 6.826 -3.593 1.00 54.15 H new ATOM 0 HB THR A 108 -9.704 8.241 -4.417 1.00 13.02 H new ATOM 0 HG1 THR A 108 -9.014 10.119 -2.986 1.00 31.13 H new ATOM 0 HG21 THR A 108 -11.414 7.436 -2.793 1.00 71.12 H new ATOM 0 HG22 THR A 108 -10.206 6.181 -3.161 1.00 71.12 H new ATOM 0 HG23 THR A 108 -10.119 7.076 -1.625 1.00 71.12 H new ATOM 1781 N SER A 109 -6.520 8.288 -5.169 1.00 50.30 N ATOM 1782 CA SER A 109 -5.627 9.047 -6.055 1.00 0.55 C ATOM 1783 C SER A 109 -5.912 8.667 -7.505 1.00 63.35 C ATOM 1784 O SER A 109 -6.108 7.497 -7.815 1.00 2.45 O ATOM 1785 CB SER A 109 -4.142 8.787 -5.681 1.00 54.25 C ATOM 1786 OG SER A 109 -3.840 7.408 -5.593 1.00 3.31 O ATOM 0 H SER A 109 -6.675 7.326 -5.471 1.00 50.30 H new ATOM 0 HA SER A 109 -5.812 10.114 -5.933 1.00 0.55 H new ATOM 0 HB2 SER A 109 -3.496 9.250 -6.427 1.00 54.25 H new ATOM 0 HB3 SER A 109 -3.922 9.266 -4.727 1.00 54.25 H new ATOM 0 HG SER A 109 -4.659 6.885 -5.722 1.00 3.31 H new ATOM 1792 N ARG A 110 -5.976 9.677 -8.378 1.00 24.33 N ATOM 1793 CA ARG A 110 -6.208 9.477 -9.825 1.00 31.40 C ATOM 1794 C ARG A 110 -4.891 9.175 -10.551 1.00 23.25 C ATOM 1795 O ARG A 110 -4.875 8.458 -11.561 1.00 64.51 O ATOM 1796 CB ARG A 110 -6.890 10.730 -10.459 1.00 20.25 C ATOM 1797 CG ARG A 110 -8.409 10.882 -10.171 1.00 53.13 C ATOM 1798 CD ARG A 110 -8.744 11.219 -8.704 1.00 62.45 C ATOM 1799 NE ARG A 110 -10.193 11.368 -8.487 1.00 3.23 N ATOM 1800 CZ ARG A 110 -10.762 12.089 -7.499 1.00 3.01 C ATOM 1801 NH1 ARG A 110 -10.021 12.745 -6.616 1.00 11.24 N ATOM 1802 NH2 ARG A 110 -12.074 12.162 -7.419 1.00 21.42 N ATOM 0 H ARG A 110 -5.870 10.655 -8.110 1.00 24.33 H new ATOM 0 HA ARG A 110 -6.875 8.623 -9.939 1.00 31.40 H new ATOM 0 HB2 ARG A 110 -6.378 11.622 -10.098 1.00 20.25 H new ATOM 0 HB3 ARG A 110 -6.744 10.694 -11.539 1.00 20.25 H new ATOM 0 HG2 ARG A 110 -8.812 11.665 -10.813 1.00 53.13 H new ATOM 0 HG3 ARG A 110 -8.913 9.955 -10.443 1.00 53.13 H new ATOM 0 HD2 ARG A 110 -8.360 10.432 -8.055 1.00 62.45 H new ATOM 0 HD3 ARG A 110 -8.238 12.142 -8.420 1.00 62.45 H new ATOM 0 HE ARG A 110 -10.816 10.887 -9.136 1.00 3.23 H new ATOM 0 HH11 ARG A 110 -9.003 12.709 -6.677 1.00 11.24 H new ATOM 0 HH12 ARG A 110 -10.469 13.285 -5.876 1.00 11.24 H new ATOM 0 HH21 ARG A 110 -12.654 11.675 -8.102 1.00 21.42 H new ATOM 0 HH22 ARG A 110 -12.510 12.706 -6.674 1.00 21.42 H new ATOM 1816 N ASN A 111 -3.792 9.717 -10.003 1.00 42.43 N ATOM 1817 CA ASN A 111 -2.510 9.820 -10.708 1.00 32.30 C ATOM 1818 C ASN A 111 -1.322 9.739 -9.738 1.00 61.35 C ATOM 1819 O ASN A 111 -1.497 9.716 -8.516 1.00 51.24 O ATOM 1820 CB ASN A 111 -2.487 11.154 -11.501 1.00 34.32 C ATOM 1821 CG ASN A 111 -2.666 12.409 -10.624 1.00 50.43 C ATOM 1822 OD1 ASN A 111 -3.305 12.376 -9.573 1.00 53.32 O ATOM 1823 ND2 ASN A 111 -2.138 13.529 -11.067 1.00 10.33 N ATOM 0 H ASN A 111 -3.770 10.096 -9.056 1.00 42.43 H new ATOM 0 HA ASN A 111 -2.412 8.979 -11.395 1.00 32.30 H new ATOM 0 HB2 ASN A 111 -1.541 11.230 -12.037 1.00 34.32 H new ATOM 0 HB3 ASN A 111 -3.277 11.132 -12.251 1.00 34.32 H new ATOM 0 HD21 ASN A 111 -2.255 14.393 -10.537 1.00 10.33 H new ATOM 0 HD22 ASN A 111 -1.612 13.534 -11.941 1.00 10.33 H new ATOM 1830 N GLU A 112 -0.116 9.701 -10.335 1.00 11.11 N ATOM 1831 CA GLU A 112 1.176 9.615 -9.629 1.00 10.52 C ATOM 1832 C GLU A 112 1.425 10.838 -8.728 1.00 21.43 C ATOM 1833 O GLU A 112 1.960 10.681 -7.631 1.00 42.30 O ATOM 1834 CB GLU A 112 2.317 9.425 -10.679 1.00 51.42 C ATOM 1835 CG GLU A 112 3.785 9.608 -10.173 1.00 0.11 C ATOM 1836 CD GLU A 112 4.382 10.992 -10.527 1.00 55.52 C ATOM 1837 OE1 GLU A 112 4.924 11.154 -11.640 1.00 33.55 O ATOM 1838 OE2 GLU A 112 4.300 11.923 -9.706 1.00 15.01 O ATOM 0 H GLU A 112 -0.011 9.730 -11.349 1.00 11.11 H new ATOM 0 HA GLU A 112 1.157 8.753 -8.962 1.00 10.52 H new ATOM 0 HB2 GLU A 112 2.226 8.424 -11.100 1.00 51.42 H new ATOM 0 HB3 GLU A 112 2.149 10.130 -11.493 1.00 51.42 H new ATOM 0 HG2 GLU A 112 3.809 9.474 -9.091 1.00 0.11 H new ATOM 0 HG3 GLU A 112 4.412 8.828 -10.605 1.00 0.11 H new ATOM 1845 N ASP A 113 1.030 12.044 -9.206 1.00 74.25 N ATOM 1846 CA ASP A 113 1.163 13.315 -8.444 1.00 14.01 C ATOM 1847 C ASP A 113 0.485 13.200 -7.075 1.00 71.01 C ATOM 1848 O ASP A 113 1.073 13.518 -6.037 1.00 63.32 O ATOM 1849 CB ASP A 113 0.508 14.501 -9.213 1.00 30.32 C ATOM 1850 CG ASP A 113 1.154 14.790 -10.572 1.00 1.33 C ATOM 1851 OD1 ASP A 113 0.999 13.966 -11.490 1.00 50.34 O ATOM 1852 OD2 ASP A 113 1.805 15.845 -10.729 1.00 73.23 O ATOM 0 H ASP A 113 0.611 12.165 -10.128 1.00 74.25 H new ATOM 0 HA ASP A 113 2.229 13.503 -8.318 1.00 14.01 H new ATOM 0 HB2 ASP A 113 -0.550 14.284 -9.363 1.00 30.32 H new ATOM 0 HB3 ASP A 113 0.566 15.398 -8.596 1.00 30.32 H new ATOM 1857 N GLU A 114 -0.767 12.716 -7.111 1.00 22.10 N ATOM 1858 CA GLU A 114 -1.610 12.583 -5.933 1.00 54.31 C ATOM 1859 C GLU A 114 -1.093 11.464 -5.011 1.00 13.53 C ATOM 1860 O GLU A 114 -0.944 11.665 -3.805 1.00 25.23 O ATOM 1861 CB GLU A 114 -3.055 12.308 -6.379 1.00 44.33 C ATOM 1862 CG GLU A 114 -4.100 12.410 -5.263 1.00 42.30 C ATOM 1863 CD GLU A 114 -4.180 13.804 -4.611 1.00 31.33 C ATOM 1864 OE1 GLU A 114 -4.359 14.798 -5.345 1.00 51.11 O ATOM 1865 OE2 GLU A 114 -4.089 13.908 -3.375 1.00 35.23 O ATOM 0 H GLU A 114 -1.218 12.406 -7.972 1.00 22.10 H new ATOM 0 HA GLU A 114 -1.582 13.511 -5.362 1.00 54.31 H new ATOM 0 HB2 GLU A 114 -3.317 13.012 -7.169 1.00 44.33 H new ATOM 0 HB3 GLU A 114 -3.103 11.309 -6.813 1.00 44.33 H new ATOM 0 HG2 GLU A 114 -5.078 12.153 -5.669 1.00 42.30 H new ATOM 0 HG3 GLU A 114 -3.870 11.672 -4.494 1.00 42.30 H new ATOM 1872 N ALA A 115 -0.779 10.308 -5.628 1.00 74.22 N ATOM 1873 CA ALA A 115 -0.301 9.096 -4.933 1.00 41.53 C ATOM 1874 C ALA A 115 1.002 9.346 -4.145 1.00 24.32 C ATOM 1875 O ALA A 115 1.188 8.802 -3.053 1.00 41.44 O ATOM 1876 CB ALA A 115 -0.084 7.982 -5.957 1.00 13.31 C ATOM 0 H ALA A 115 -0.851 10.188 -6.638 1.00 74.22 H new ATOM 0 HA ALA A 115 -1.062 8.804 -4.209 1.00 41.53 H new ATOM 0 HB1 ALA A 115 0.269 7.085 -5.449 1.00 13.31 H new ATOM 0 HB2 ALA A 115 -1.024 7.766 -6.464 1.00 13.31 H new ATOM 0 HB3 ALA A 115 0.658 8.300 -6.689 1.00 13.31 H new ATOM 1882 N LYS A 116 1.875 10.183 -4.734 1.00 51.52 N ATOM 1883 CA LYS A 116 3.167 10.615 -4.151 1.00 71.34 C ATOM 1884 C LYS A 116 2.969 11.285 -2.780 1.00 71.53 C ATOM 1885 O LYS A 116 3.699 10.995 -1.819 1.00 75.52 O ATOM 1886 CB LYS A 116 3.842 11.603 -5.138 1.00 41.02 C ATOM 1887 CG LYS A 116 5.150 12.275 -4.655 1.00 64.12 C ATOM 1888 CD LYS A 116 5.736 13.226 -5.727 1.00 23.14 C ATOM 1889 CE LYS A 116 6.065 12.493 -7.035 1.00 40.25 C ATOM 1890 NZ LYS A 116 6.496 13.409 -8.124 1.00 5.23 N ATOM 0 H LYS A 116 1.701 10.591 -5.653 1.00 51.52 H new ATOM 0 HA LYS A 116 3.800 9.741 -3.996 1.00 71.34 H new ATOM 0 HB2 LYS A 116 4.055 11.069 -6.064 1.00 41.02 H new ATOM 0 HB3 LYS A 116 3.125 12.387 -5.380 1.00 41.02 H new ATOM 0 HG2 LYS A 116 4.955 12.834 -3.740 1.00 64.12 H new ATOM 0 HG3 LYS A 116 5.884 11.508 -4.409 1.00 64.12 H new ATOM 0 HD2 LYS A 116 5.023 14.025 -5.930 1.00 23.14 H new ATOM 0 HD3 LYS A 116 6.640 13.696 -5.339 1.00 23.14 H new ATOM 0 HE2 LYS A 116 6.854 11.764 -6.848 1.00 40.25 H new ATOM 0 HE3 LYS A 116 5.187 11.936 -7.363 1.00 40.25 H new ATOM 0 HZ1 LYS A 116 5.940 13.215 -8.981 1.00 5.23 H new ATOM 0 HZ2 LYS A 116 6.345 14.395 -7.829 1.00 5.23 H new ATOM 0 HZ3 LYS A 116 7.505 13.259 -8.325 1.00 5.23 H new ATOM 1904 N LYS A 117 1.952 12.168 -2.717 1.00 61.12 N ATOM 1905 CA LYS A 117 1.570 12.890 -1.488 1.00 34.43 C ATOM 1906 C LYS A 117 1.123 11.871 -0.422 1.00 10.12 C ATOM 1907 O LYS A 117 1.604 11.891 0.713 1.00 24.21 O ATOM 1908 CB LYS A 117 0.391 13.871 -1.772 1.00 42.34 C ATOM 1909 CG LYS A 117 0.550 14.781 -3.007 1.00 72.42 C ATOM 1910 CD LYS A 117 -0.785 15.486 -3.375 1.00 43.11 C ATOM 1911 CE LYS A 117 -0.751 16.204 -4.734 1.00 60.13 C ATOM 1912 NZ LYS A 117 -2.095 16.751 -5.094 1.00 42.32 N ATOM 0 H LYS A 117 1.370 12.401 -3.522 1.00 61.12 H new ATOM 0 HA LYS A 117 2.430 13.460 -1.135 1.00 34.43 H new ATOM 0 HB2 LYS A 117 -0.521 13.286 -1.892 1.00 42.34 H new ATOM 0 HB3 LYS A 117 0.252 14.503 -0.895 1.00 42.34 H new ATOM 0 HG2 LYS A 117 1.316 15.531 -2.810 1.00 72.42 H new ATOM 0 HG3 LYS A 117 0.894 14.188 -3.854 1.00 72.42 H new ATOM 0 HD2 LYS A 117 -1.585 14.746 -3.385 1.00 43.11 H new ATOM 0 HD3 LYS A 117 -1.030 16.210 -2.598 1.00 43.11 H new ATOM 0 HE2 LYS A 117 -0.023 17.015 -4.701 1.00 60.13 H new ATOM 0 HE3 LYS A 117 -0.420 15.510 -5.506 1.00 60.13 H new ATOM 0 HZ1 LYS A 117 -2.040 17.229 -6.016 1.00 42.32 H new ATOM 0 HZ2 LYS A 117 -2.783 15.973 -5.149 1.00 42.32 H new ATOM 0 HZ3 LYS A 117 -2.399 17.432 -4.368 1.00 42.32 H new ATOM 1926 N LYS A 118 0.235 10.941 -0.861 1.00 72.20 N ATOM 1927 CA LYS A 118 -0.445 9.955 0.010 1.00 25.34 C ATOM 1928 C LYS A 118 0.569 9.010 0.684 1.00 63.34 C ATOM 1929 O LYS A 118 0.411 8.644 1.855 1.00 20.55 O ATOM 1930 CB LYS A 118 -1.470 9.115 -0.820 1.00 53.33 C ATOM 1931 CG LYS A 118 -2.510 9.889 -1.685 1.00 43.02 C ATOM 1932 CD LYS A 118 -3.373 10.930 -0.914 1.00 21.34 C ATOM 1933 CE LYS A 118 -2.750 12.325 -0.866 1.00 22.45 C ATOM 1934 NZ LYS A 118 -3.460 13.237 0.054 1.00 1.32 N ATOM 0 H LYS A 118 -0.030 10.857 -1.842 1.00 72.20 H new ATOM 0 HA LYS A 118 -0.972 10.508 0.788 1.00 25.34 H new ATOM 0 HB2 LYS A 118 -0.907 8.457 -1.482 1.00 53.33 H new ATOM 0 HB3 LYS A 118 -2.019 8.476 -0.128 1.00 53.33 H new ATOM 0 HG2 LYS A 118 -1.980 10.403 -2.487 1.00 43.02 H new ATOM 0 HG3 LYS A 118 -3.176 9.166 -2.156 1.00 43.02 H new ATOM 0 HD2 LYS A 118 -4.354 10.995 -1.384 1.00 21.34 H new ATOM 0 HD3 LYS A 118 -3.530 10.576 0.105 1.00 21.34 H new ATOM 0 HE2 LYS A 118 -1.708 12.242 -0.556 1.00 22.45 H new ATOM 0 HE3 LYS A 118 -2.752 12.753 -1.868 1.00 22.45 H new ATOM 0 HZ1 LYS A 118 -3.787 14.073 -0.470 1.00 1.32 H new ATOM 0 HZ2 LYS A 118 -4.278 12.745 0.468 1.00 1.32 H new ATOM 0 HZ3 LYS A 118 -2.815 13.535 0.813 1.00 1.32 H new ATOM 1948 N LEU A 119 1.599 8.625 -0.103 1.00 53.21 N ATOM 1949 CA LEU A 119 2.720 7.773 0.342 1.00 70.31 C ATOM 1950 C LEU A 119 3.466 8.410 1.504 1.00 43.22 C ATOM 1951 O LEU A 119 3.604 7.811 2.560 1.00 3.12 O ATOM 1952 CB LEU A 119 3.710 7.540 -0.833 1.00 75.22 C ATOM 1953 CG LEU A 119 3.248 6.521 -1.904 1.00 15.31 C ATOM 1954 CD1 LEU A 119 4.167 6.576 -3.125 1.00 44.34 C ATOM 1955 CD2 LEU A 119 3.195 5.097 -1.318 1.00 15.05 C ATOM 0 H LEU A 119 1.674 8.904 -1.081 1.00 53.21 H new ATOM 0 HA LEU A 119 2.305 6.821 0.672 1.00 70.31 H new ATOM 0 HB2 LEU A 119 3.896 8.496 -1.323 1.00 75.22 H new ATOM 0 HB3 LEU A 119 4.661 7.202 -0.422 1.00 75.22 H new ATOM 0 HG LEU A 119 2.241 6.789 -2.222 1.00 15.31 H new ATOM 0 HD11 LEU A 119 3.828 5.854 -3.868 1.00 44.34 H new ATOM 0 HD12 LEU A 119 4.142 7.577 -3.555 1.00 44.34 H new ATOM 0 HD13 LEU A 119 5.187 6.336 -2.824 1.00 44.34 H new ATOM 0 HD21 LEU A 119 2.868 4.399 -2.088 1.00 15.05 H new ATOM 0 HD22 LEU A 119 4.186 4.811 -0.966 1.00 15.05 H new ATOM 0 HD23 LEU A 119 2.493 5.072 -0.484 1.00 15.05 H new ATOM 1967 N LYS A 120 3.906 9.651 1.284 1.00 14.42 N ATOM 1968 CA LYS A 120 4.778 10.378 2.217 1.00 14.25 C ATOM 1969 C LYS A 120 4.046 10.744 3.515 1.00 1.21 C ATOM 1970 O LYS A 120 4.656 10.748 4.585 1.00 13.21 O ATOM 1971 CB LYS A 120 5.372 11.617 1.508 1.00 35.03 C ATOM 1972 CG LYS A 120 6.262 11.220 0.312 1.00 42.41 C ATOM 1973 CD LYS A 120 6.876 12.420 -0.432 1.00 31.33 C ATOM 1974 CE LYS A 120 7.749 11.980 -1.618 1.00 13.23 C ATOM 1975 NZ LYS A 120 8.281 13.142 -2.376 1.00 4.25 N ATOM 0 H LYS A 120 3.667 10.186 0.449 1.00 14.42 H new ATOM 0 HA LYS A 120 5.599 9.726 2.513 1.00 14.25 H new ATOM 0 HB2 LYS A 120 4.563 12.260 1.162 1.00 35.03 H new ATOM 0 HB3 LYS A 120 5.958 12.198 2.220 1.00 35.03 H new ATOM 0 HG2 LYS A 120 7.066 10.575 0.668 1.00 42.41 H new ATOM 0 HG3 LYS A 120 5.670 10.633 -0.390 1.00 42.41 H new ATOM 0 HD2 LYS A 120 6.078 13.070 -0.791 1.00 31.33 H new ATOM 0 HD3 LYS A 120 7.477 13.007 0.262 1.00 31.33 H new ATOM 0 HE2 LYS A 120 8.578 11.374 -1.253 1.00 13.23 H new ATOM 0 HE3 LYS A 120 7.163 11.349 -2.286 1.00 13.23 H new ATOM 0 HZ1 LYS A 120 8.534 12.842 -3.339 1.00 4.25 H new ATOM 0 HZ2 LYS A 120 7.556 13.886 -2.425 1.00 4.25 H new ATOM 0 HZ3 LYS A 120 9.126 13.513 -1.896 1.00 4.25 H new ATOM 1989 N GLU A 121 2.733 11.003 3.394 1.00 55.21 N ATOM 1990 CA GLU A 121 1.832 11.176 4.548 1.00 1.31 C ATOM 1991 C GLU A 121 1.733 9.865 5.352 1.00 41.23 C ATOM 1992 O GLU A 121 1.797 9.883 6.575 1.00 64.12 O ATOM 1993 CB GLU A 121 0.426 11.634 4.075 1.00 31.52 C ATOM 1994 CG GLU A 121 0.400 13.045 3.466 1.00 51.01 C ATOM 1995 CD GLU A 121 -0.983 13.446 2.936 1.00 50.10 C ATOM 1996 OE1 GLU A 121 -1.906 13.609 3.756 1.00 54.21 O ATOM 1997 OE2 GLU A 121 -1.148 13.608 1.707 1.00 42.13 O ATOM 0 H GLU A 121 2.265 11.099 2.493 1.00 55.21 H new ATOM 0 HA GLU A 121 2.244 11.949 5.197 1.00 1.31 H new ATOM 0 HB2 GLU A 121 0.053 10.924 3.337 1.00 31.52 H new ATOM 0 HB3 GLU A 121 -0.259 11.602 4.922 1.00 31.52 H new ATOM 0 HG2 GLU A 121 0.717 13.766 4.220 1.00 51.01 H new ATOM 0 HG3 GLU A 121 1.123 13.097 2.652 1.00 51.01 H new ATOM 2004 N ALA A 122 1.621 8.734 4.630 1.00 74.44 N ATOM 2005 CA ALA A 122 1.543 7.377 5.221 1.00 15.12 C ATOM 2006 C ALA A 122 2.882 6.954 5.865 1.00 25.14 C ATOM 2007 O ALA A 122 2.902 6.168 6.819 1.00 74.35 O ATOM 2008 CB ALA A 122 1.122 6.362 4.150 1.00 71.43 C ATOM 0 H ALA A 122 1.581 8.732 3.611 1.00 74.44 H new ATOM 0 HA ALA A 122 0.793 7.400 6.012 1.00 15.12 H new ATOM 0 HB1 ALA A 122 1.067 5.367 4.593 1.00 71.43 H new ATOM 0 HB2 ALA A 122 0.145 6.637 3.753 1.00 71.43 H new ATOM 0 HB3 ALA A 122 1.854 6.360 3.343 1.00 71.43 H new ATOM 2014 N LEU A 123 3.989 7.476 5.315 1.00 22.54 N ATOM 2015 CA LEU A 123 5.356 7.262 5.837 1.00 35.22 C ATOM 2016 C LEU A 123 5.580 8.095 7.116 1.00 73.22 C ATOM 2017 O LEU A 123 6.415 7.761 7.959 1.00 1.13 O ATOM 2018 CB LEU A 123 6.410 7.591 4.738 1.00 22.32 C ATOM 2019 CG LEU A 123 6.396 6.664 3.467 1.00 40.24 C ATOM 2020 CD1 LEU A 123 7.549 6.997 2.493 1.00 23.42 C ATOM 2021 CD2 LEU A 123 6.396 5.168 3.846 1.00 3.22 C ATOM 0 H LEU A 123 3.964 8.067 4.484 1.00 22.54 H new ATOM 0 HA LEU A 123 5.476 6.212 6.106 1.00 35.22 H new ATOM 0 HB2 LEU A 123 6.258 8.620 4.414 1.00 22.32 H new ATOM 0 HB3 LEU A 123 7.402 7.542 5.188 1.00 22.32 H new ATOM 0 HG LEU A 123 5.462 6.868 2.943 1.00 40.24 H new ATOM 0 HD11 LEU A 123 7.500 6.332 1.630 1.00 23.42 H new ATOM 0 HD12 LEU A 123 7.457 8.031 2.160 1.00 23.42 H new ATOM 0 HD13 LEU A 123 8.504 6.863 3.001 1.00 23.42 H new ATOM 0 HD21 LEU A 123 6.386 4.563 2.939 1.00 3.22 H new ATOM 0 HD22 LEU A 123 7.291 4.939 4.425 1.00 3.22 H new ATOM 0 HD23 LEU A 123 5.511 4.944 4.442 1.00 3.22 H new ATOM 2033 N GLU A 124 4.844 9.208 7.224 1.00 23.32 N ATOM 2034 CA GLU A 124 4.754 9.991 8.468 1.00 51.10 C ATOM 2035 C GLU A 124 3.828 9.279 9.490 1.00 32.33 C ATOM 2036 O GLU A 124 4.100 9.301 10.694 1.00 74.25 O ATOM 2037 CB GLU A 124 4.282 11.435 8.154 1.00 12.22 C ATOM 2038 CG GLU A 124 5.291 12.245 7.307 1.00 74.11 C ATOM 2039 CD GLU A 124 4.762 13.621 6.887 1.00 13.25 C ATOM 2040 OE1 GLU A 124 4.736 14.532 7.739 1.00 31.13 O ATOM 2041 OE2 GLU A 124 4.344 13.789 5.720 1.00 62.04 O ATOM 0 H GLU A 124 4.295 9.592 6.455 1.00 23.32 H new ATOM 0 HA GLU A 124 5.741 10.061 8.925 1.00 51.10 H new ATOM 0 HB2 GLU A 124 3.330 11.390 7.625 1.00 12.22 H new ATOM 0 HB3 GLU A 124 4.102 11.961 9.091 1.00 12.22 H new ATOM 0 HG2 GLU A 124 6.211 12.375 7.877 1.00 74.11 H new ATOM 0 HG3 GLU A 124 5.547 11.674 6.415 1.00 74.11 H new ATOM 2048 N LYS A 125 2.768 8.599 8.984 1.00 11.32 N ATOM 2049 CA LYS A 125 1.807 7.830 9.827 1.00 3.20 C ATOM 2050 C LYS A 125 2.466 6.573 10.421 1.00 52.15 C ATOM 2051 O LYS A 125 2.045 6.086 11.479 1.00 12.33 O ATOM 2052 CB LYS A 125 0.541 7.413 9.013 1.00 44.23 C ATOM 2053 CG LYS A 125 -0.313 8.579 8.483 1.00 32.21 C ATOM 2054 CD LYS A 125 -0.857 9.494 9.597 1.00 12.53 C ATOM 2055 CE LYS A 125 -1.707 10.650 9.044 1.00 43.23 C ATOM 2056 NZ LYS A 125 -2.187 11.539 10.134 1.00 53.34 N ATOM 0 H LYS A 125 2.553 8.566 7.987 1.00 11.32 H new ATOM 0 HA LYS A 125 1.503 8.490 10.640 1.00 3.20 H new ATOM 0 HB2 LYS A 125 0.858 6.802 8.167 1.00 44.23 H new ATOM 0 HB3 LYS A 125 -0.086 6.783 9.644 1.00 44.23 H new ATOM 0 HG2 LYS A 125 0.286 9.174 7.794 1.00 32.21 H new ATOM 0 HG3 LYS A 125 -1.150 8.177 7.912 1.00 32.21 H new ATOM 0 HD2 LYS A 125 -1.458 8.903 10.288 1.00 12.53 H new ATOM 0 HD3 LYS A 125 -0.023 9.901 10.169 1.00 12.53 H new ATOM 0 HE2 LYS A 125 -1.118 11.229 8.333 1.00 43.23 H new ATOM 0 HE3 LYS A 125 -2.560 10.248 8.498 1.00 43.23 H new ATOM 0 HZ1 LYS A 125 -2.757 12.309 9.729 1.00 53.34 H new ATOM 0 HZ2 LYS A 125 -2.769 10.990 10.799 1.00 53.34 H new ATOM 0 HZ3 LYS A 125 -1.371 11.941 10.638 1.00 53.34 H new ATOM 2070 N SER A 126 3.491 6.057 9.722 1.00 24.04 N ATOM 2071 CA SER A 126 4.250 4.878 10.163 1.00 51.54 C ATOM 2072 C SER A 126 5.279 5.222 11.249 1.00 25.43 C ATOM 2073 O SER A 126 5.923 4.326 11.802 1.00 51.55 O ATOM 2074 CB SER A 126 4.940 4.218 8.950 1.00 31.31 C ATOM 2075 OG SER A 126 5.851 5.095 8.318 1.00 63.21 O ATOM 0 H SER A 126 3.815 6.446 8.837 1.00 24.04 H new ATOM 0 HA SER A 126 3.545 4.175 10.607 1.00 51.54 H new ATOM 0 HB2 SER A 126 5.467 3.321 9.276 1.00 31.31 H new ATOM 0 HB3 SER A 126 4.184 3.900 8.231 1.00 31.31 H new ATOM 0 HG SER A 126 6.768 4.837 8.549 1.00 63.21 H new ATOM 2081 N GLY A 127 5.443 6.528 11.530 1.00 34.51 N ATOM 2082 CA GLY A 127 6.406 7.005 12.520 1.00 30.21 C ATOM 2083 C GLY A 127 7.827 7.067 11.977 1.00 0.34 C ATOM 2084 O GLY A 127 8.750 7.416 12.716 1.00 33.34 O ATOM 0 H GLY A 127 4.912 7.272 11.077 1.00 34.51 H new ATOM 0 HA2 GLY A 127 6.109 7.997 12.861 1.00 30.21 H new ATOM 0 HA3 GLY A 127 6.382 6.348 13.389 1.00 30.21 H new ATOM 2088 N SER A 128 8.000 6.713 10.685 1.00 15.30 N ATOM 2089 CA SER A 128 9.293 6.785 9.995 1.00 24.30 C ATOM 2090 C SER A 128 9.743 8.249 9.902 1.00 22.34 C ATOM 2091 O SER A 128 10.892 8.583 10.189 1.00 13.41 O ATOM 2092 CB SER A 128 9.173 6.173 8.589 1.00 32.44 C ATOM 2093 OG SER A 128 8.876 4.797 8.653 1.00 51.12 O ATOM 0 H SER A 128 7.242 6.369 10.096 1.00 15.30 H new ATOM 0 HA SER A 128 10.036 6.219 10.558 1.00 24.30 H new ATOM 0 HB2 SER A 128 8.393 6.690 8.030 1.00 32.44 H new ATOM 0 HB3 SER A 128 10.106 6.321 8.045 1.00 32.44 H new ATOM 0 HG SER A 128 9.256 4.344 7.872 1.00 51.12 H new