USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 633 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 39 ASN : amide:sc= 1.09 K(o=2.3,f=-5.1) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -165:sc= 1.21 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -1.19 X(o=-1.2,f=-0.84) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0155) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -166:sc= 0.857 (180deg=0.692) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.139 X(o=-0.14,f=-0.52) USER MOD Single : A 23 GLN : amide:sc= -0.254 X(o=-0.25,f=-0.23) USER MOD Single : A 27 MET CE :methyl 174:sc= -0.864 (180deg=-1.01) USER MOD Single : A 32 TYR OH : rot 34:sc= 0.0247 USER MOD Single : A 33 ASN : amide:sc= -0.0287 K(o=-0.029,f=-0.96) USER MOD Single : A 38 LYS NZ :NH3+ 161:sc= 0.0705 (180deg=-0.351) USER MOD Single : A 40 LYS NZ :NH3+ 170:sc= 0.819 (180deg=0.739) USER MOD Single : A 41 MET CE :methyl -172:sc= -1.38 (180deg=-1.52) USER MOD Single : A 43 LYS NZ :NH3+ 179:sc= 0.225 (180deg=0.224) USER MOD Single : A 45 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0327) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0299) USER MOD Single : A 56 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0144) USER MOD Single : A 62 HIS : no HD1:sc= -0.0907 X(o=-0.091,f=-0.0012) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -153:sc= 0.144 (180deg=-0.939) USER MOD Single : A 73 SER OG : rot -106:sc= 1.51 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= -0.0135 USER MOD Single : A 79 GLN :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD ----------------------------------------------------------------- ATOM 28 N PRO A 4 -7.443 -12.710 3.332 1.00 75.45 N ATOM 29 CA PRO A 4 -6.923 -11.310 3.245 1.00 64.05 C ATOM 30 C PRO A 4 -7.559 -10.420 2.142 1.00 11.12 C ATOM 31 O PRO A 4 -7.612 -9.197 2.297 1.00 40.53 O ATOM 32 CB PRO A 4 -5.413 -11.507 2.981 1.00 64.03 C ATOM 33 CG PRO A 4 -5.093 -12.829 3.611 1.00 31.43 C ATOM 34 CD PRO A 4 -6.319 -13.693 3.391 1.00 51.42 C ATOM 0 HA PRO A 4 -7.167 -10.766 4.158 1.00 64.05 H new ATOM 0 HB2 PRO A 4 -5.194 -11.512 1.913 1.00 64.03 H new ATOM 0 HB3 PRO A 4 -4.824 -10.703 3.423 1.00 64.03 H new ATOM 0 HG2 PRO A 4 -4.211 -13.277 3.155 1.00 31.43 H new ATOM 0 HG3 PRO A 4 -4.879 -12.715 4.674 1.00 31.43 H new ATOM 0 HD2 PRO A 4 -6.242 -14.269 2.469 1.00 51.42 H new ATOM 0 HD3 PRO A 4 -6.455 -14.408 4.202 1.00 51.42 H new ATOM 42 N ASP A 5 -8.019 -11.038 1.031 1.00 71.54 N ATOM 43 CA ASP A 5 -8.597 -10.296 -0.120 1.00 30.32 C ATOM 44 C ASP A 5 -9.971 -9.665 0.218 1.00 34.10 C ATOM 45 O ASP A 5 -10.396 -8.687 -0.414 1.00 34.12 O ATOM 46 CB ASP A 5 -8.700 -11.199 -1.370 1.00 11.40 C ATOM 47 CG ASP A 5 -8.811 -10.375 -2.676 1.00 0.52 C ATOM 48 OD1 ASP A 5 -7.759 -9.935 -3.205 1.00 74.31 O ATOM 49 OD2 ASP A 5 -9.938 -10.139 -3.169 1.00 24.34 O ATOM 0 H ASP A 5 -8.003 -12.050 0.904 1.00 71.54 H new ATOM 0 HA ASP A 5 -7.913 -9.477 -0.343 1.00 30.32 H new ATOM 0 HB2 ASP A 5 -7.824 -11.845 -1.423 1.00 11.40 H new ATOM 0 HB3 ASP A 5 -9.570 -11.849 -1.277 1.00 11.40 H new ATOM 54 N GLU A 6 -10.653 -10.231 1.224 1.00 25.42 N ATOM 55 CA GLU A 6 -11.912 -9.673 1.758 1.00 73.02 C ATOM 56 C GLU A 6 -11.606 -8.439 2.623 1.00 65.45 C ATOM 57 O GLU A 6 -12.341 -7.448 2.594 1.00 50.05 O ATOM 58 CB GLU A 6 -12.674 -10.757 2.564 1.00 1.25 C ATOM 59 CG GLU A 6 -13.013 -12.003 1.727 1.00 34.03 C ATOM 60 CD GLU A 6 -13.703 -13.103 2.539 1.00 70.11 C ATOM 61 OE1 GLU A 6 -13.005 -13.824 3.277 1.00 74.35 O ATOM 62 OE2 GLU A 6 -14.941 -13.251 2.448 1.00 65.23 O ATOM 0 H GLU A 6 -10.352 -11.086 1.692 1.00 25.42 H new ATOM 0 HA GLU A 6 -12.553 -9.359 0.934 1.00 73.02 H new ATOM 0 HB2 GLU A 6 -12.071 -11.055 3.421 1.00 1.25 H new ATOM 0 HB3 GLU A 6 -13.596 -10.328 2.957 1.00 1.25 H new ATOM 0 HG2 GLU A 6 -13.659 -11.712 0.898 1.00 34.03 H new ATOM 0 HG3 GLU A 6 -12.096 -12.402 1.292 1.00 34.03 H new ATOM 69 N ASN A 7 -10.482 -8.510 3.360 1.00 13.53 N ATOM 70 CA ASN A 7 -9.955 -7.379 4.154 1.00 12.21 C ATOM 71 C ASN A 7 -9.522 -6.230 3.205 1.00 20.53 C ATOM 72 O ASN A 7 -9.676 -5.054 3.536 1.00 5.23 O ATOM 73 CB ASN A 7 -8.754 -7.832 5.048 1.00 52.13 C ATOM 74 CG ASN A 7 -8.998 -9.145 5.823 1.00 10.43 C ATOM 75 OD1 ASN A 7 -10.135 -9.519 6.132 1.00 64.15 O ATOM 76 ND2 ASN A 7 -7.926 -9.851 6.149 1.00 30.43 N ATOM 0 H ASN A 7 -9.911 -9.353 3.423 1.00 13.53 H new ATOM 0 HA ASN A 7 -10.745 -7.020 4.814 1.00 12.21 H new ATOM 0 HB2 ASN A 7 -7.873 -7.954 4.418 1.00 52.13 H new ATOM 0 HB3 ASN A 7 -8.528 -7.039 5.761 1.00 52.13 H new ATOM 0 HD21 ASN A 7 -8.028 -10.724 6.666 1.00 30.43 H new ATOM 0 HD22 ASN A 7 -6.998 -9.522 5.883 1.00 30.43 H new ATOM 83 N ILE A 8 -9.002 -6.612 2.016 1.00 22.25 N ATOM 84 CA ILE A 8 -8.621 -5.681 0.927 1.00 74.34 C ATOM 85 C ILE A 8 -9.823 -4.872 0.431 1.00 74.23 C ATOM 86 O ILE A 8 -9.690 -3.683 0.196 1.00 50.34 O ATOM 87 CB ILE A 8 -7.965 -6.460 -0.281 1.00 2.20 C ATOM 88 CG1 ILE A 8 -6.589 -7.023 0.144 1.00 55.41 C ATOM 89 CG2 ILE A 8 -7.849 -5.602 -1.565 1.00 12.21 C ATOM 90 CD1 ILE A 8 -5.904 -7.901 -0.883 1.00 64.11 C ATOM 0 H ILE A 8 -8.832 -7.590 1.782 1.00 22.25 H new ATOM 0 HA ILE A 8 -7.888 -4.988 1.341 1.00 74.34 H new ATOM 0 HB ILE A 8 -8.630 -7.286 -0.535 1.00 2.20 H new ATOM 0 HG12 ILE A 8 -5.930 -6.187 0.381 1.00 55.41 H new ATOM 0 HG13 ILE A 8 -6.717 -7.598 1.061 1.00 55.41 H new ATOM 0 HG21 ILE A 8 -7.391 -6.193 -2.358 1.00 12.21 H new ATOM 0 HG22 ILE A 8 -8.842 -5.281 -1.879 1.00 12.21 H new ATOM 0 HG23 ILE A 8 -7.232 -4.726 -1.363 1.00 12.21 H new ATOM 0 HD11 ILE A 8 -4.948 -8.244 -0.488 1.00 64.11 H new ATOM 0 HD12 ILE A 8 -6.535 -8.762 -1.105 1.00 64.11 H new ATOM 0 HD13 ILE A 8 -5.736 -7.330 -1.796 1.00 64.11 H new ATOM 102 N ALA A 9 -10.986 -5.538 0.276 1.00 23.01 N ATOM 103 CA ALA A 9 -12.242 -4.888 -0.165 1.00 35.22 C ATOM 104 C ALA A 9 -12.645 -3.740 0.792 1.00 70.44 C ATOM 105 O ALA A 9 -13.224 -2.732 0.370 1.00 72.33 O ATOM 106 CB ALA A 9 -13.364 -5.934 -0.278 1.00 74.22 C ATOM 0 H ALA A 9 -11.083 -6.538 0.452 1.00 23.01 H new ATOM 0 HA ALA A 9 -12.076 -4.448 -1.148 1.00 35.22 H new ATOM 0 HB1 ALA A 9 -14.284 -5.447 -0.603 1.00 74.22 H new ATOM 0 HB2 ALA A 9 -13.080 -6.695 -1.005 1.00 74.22 H new ATOM 0 HB3 ALA A 9 -13.524 -6.402 0.693 1.00 74.22 H new ATOM 112 N LYS A 10 -12.293 -3.915 2.078 1.00 24.40 N ATOM 113 CA LYS A 10 -12.493 -2.908 3.131 1.00 60.11 C ATOM 114 C LYS A 10 -11.457 -1.769 3.002 1.00 62.32 C ATOM 115 O LYS A 10 -11.815 -0.599 3.113 1.00 51.54 O ATOM 116 CB LYS A 10 -12.385 -3.583 4.516 1.00 40.52 C ATOM 117 CG LYS A 10 -13.393 -4.738 4.729 1.00 41.11 C ATOM 118 CD LYS A 10 -13.151 -5.508 6.049 1.00 4.24 C ATOM 119 CE LYS A 10 -13.236 -4.613 7.300 1.00 63.43 C ATOM 120 NZ LYS A 10 -12.975 -5.380 8.549 1.00 71.25 N ATOM 0 H LYS A 10 -11.856 -4.772 2.418 1.00 24.40 H new ATOM 0 HA LYS A 10 -13.486 -2.472 3.021 1.00 60.11 H new ATOM 0 HB2 LYS A 10 -11.373 -3.968 4.644 1.00 40.52 H new ATOM 0 HB3 LYS A 10 -12.540 -2.831 5.289 1.00 40.52 H new ATOM 0 HG2 LYS A 10 -14.406 -4.335 4.729 1.00 41.11 H new ATOM 0 HG3 LYS A 10 -13.326 -5.432 3.891 1.00 41.11 H new ATOM 0 HD2 LYS A 10 -13.885 -6.310 6.134 1.00 4.24 H new ATOM 0 HD3 LYS A 10 -12.168 -5.978 6.013 1.00 4.24 H new ATOM 0 HE2 LYS A 10 -12.514 -3.801 7.215 1.00 63.43 H new ATOM 0 HE3 LYS A 10 -14.224 -4.157 7.354 1.00 63.43 H new ATOM 0 HZ1 LYS A 10 -13.041 -4.743 9.368 1.00 71.25 H new ATOM 0 HZ2 LYS A 10 -13.679 -6.140 8.643 1.00 71.25 H new ATOM 0 HZ3 LYS A 10 -12.022 -5.794 8.509 1.00 71.25 H new ATOM 134 N PHE A 11 -10.174 -2.133 2.763 1.00 5.11 N ATOM 135 CA PHE A 11 -9.059 -1.157 2.570 1.00 2.53 C ATOM 136 C PHE A 11 -9.210 -0.377 1.251 1.00 61.21 C ATOM 137 O PHE A 11 -8.667 0.718 1.104 1.00 35.40 O ATOM 138 CB PHE A 11 -7.669 -1.857 2.617 1.00 75.45 C ATOM 139 CG PHE A 11 -7.362 -2.591 3.924 1.00 51.14 C ATOM 140 CD1 PHE A 11 -7.643 -1.998 5.159 1.00 33.24 C ATOM 141 CD2 PHE A 11 -6.800 -3.874 3.924 1.00 64.53 C ATOM 142 CE1 PHE A 11 -7.376 -2.661 6.340 1.00 14.24 C ATOM 143 CE2 PHE A 11 -6.538 -4.534 5.111 1.00 4.41 C ATOM 144 CZ PHE A 11 -6.828 -3.927 6.316 1.00 4.02 C ATOM 0 H PHE A 11 -9.877 -3.107 2.698 1.00 5.11 H new ATOM 0 HA PHE A 11 -9.117 -0.450 3.397 1.00 2.53 H new ATOM 0 HB2 PHE A 11 -7.609 -2.569 1.794 1.00 75.45 H new ATOM 0 HB3 PHE A 11 -6.895 -1.108 2.447 1.00 75.45 H new ATOM 0 HD1 PHE A 11 -8.075 -1.008 5.189 1.00 33.24 H new ATOM 0 HD2 PHE A 11 -6.568 -4.354 2.985 1.00 64.53 H new ATOM 0 HE1 PHE A 11 -7.597 -2.187 7.285 1.00 14.24 H new ATOM 0 HE2 PHE A 11 -6.107 -5.524 5.095 1.00 4.41 H new ATOM 0 HZ PHE A 11 -6.626 -4.444 7.242 1.00 4.02 H new ATOM 154 N GLU A 12 -9.919 -0.993 0.297 1.00 54.30 N ATOM 155 CA GLU A 12 -10.206 -0.431 -1.032 1.00 4.40 C ATOM 156 C GLU A 12 -11.314 0.627 -0.880 1.00 62.31 C ATOM 157 O GLU A 12 -11.254 1.699 -1.483 1.00 64.41 O ATOM 158 CB GLU A 12 -10.637 -1.577 -2.015 1.00 61.21 C ATOM 159 CG GLU A 12 -10.240 -1.377 -3.502 1.00 42.13 C ATOM 160 CD GLU A 12 -10.748 -0.068 -4.136 1.00 11.32 C ATOM 161 OE1 GLU A 12 -11.933 -0.004 -4.542 1.00 64.35 O ATOM 162 OE2 GLU A 12 -9.968 0.910 -4.210 1.00 62.10 O ATOM 0 H GLU A 12 -10.320 -1.921 0.430 1.00 54.30 H new ATOM 0 HA GLU A 12 -9.317 0.041 -1.450 1.00 4.40 H new ATOM 0 HB2 GLU A 12 -10.201 -2.513 -1.665 1.00 61.21 H new ATOM 0 HB3 GLU A 12 -11.720 -1.689 -1.960 1.00 61.21 H new ATOM 0 HG2 GLU A 12 -9.153 -1.404 -3.580 1.00 42.13 H new ATOM 0 HG3 GLU A 12 -10.622 -2.217 -4.082 1.00 42.13 H new ATOM 169 N LYS A 13 -12.323 0.297 -0.050 1.00 14.23 N ATOM 170 CA LYS A 13 -13.406 1.223 0.315 1.00 43.33 C ATOM 171 C LYS A 13 -12.860 2.363 1.205 1.00 2.42 C ATOM 172 O LYS A 13 -13.331 3.499 1.133 1.00 62.23 O ATOM 173 CB LYS A 13 -14.552 0.451 1.033 1.00 71.11 C ATOM 174 CG LYS A 13 -15.818 1.297 1.307 1.00 34.42 C ATOM 175 CD LYS A 13 -16.452 1.855 0.006 1.00 31.02 C ATOM 176 CE LYS A 13 -17.641 2.786 0.278 1.00 2.53 C ATOM 177 NZ LYS A 13 -18.744 2.098 0.995 1.00 64.25 N ATOM 0 H LYS A 13 -12.407 -0.622 0.385 1.00 14.23 H new ATOM 0 HA LYS A 13 -13.813 1.669 -0.592 1.00 43.33 H new ATOM 0 HB2 LYS A 13 -14.830 -0.410 0.425 1.00 71.11 H new ATOM 0 HB3 LYS A 13 -14.176 0.065 1.980 1.00 71.11 H new ATOM 0 HG2 LYS A 13 -16.552 0.687 1.832 1.00 34.42 H new ATOM 0 HG3 LYS A 13 -15.562 2.126 1.967 1.00 34.42 H new ATOM 0 HD2 LYS A 13 -15.694 2.397 -0.559 1.00 31.02 H new ATOM 0 HD3 LYS A 13 -16.782 1.024 -0.618 1.00 31.02 H new ATOM 0 HE2 LYS A 13 -17.304 3.639 0.867 1.00 2.53 H new ATOM 0 HE3 LYS A 13 -18.015 3.179 -0.667 1.00 2.53 H new ATOM 0 HZ1 LYS A 13 -19.550 2.747 1.096 1.00 64.25 H new ATOM 0 HZ2 LYS A 13 -19.040 1.260 0.455 1.00 64.25 H new ATOM 0 HZ3 LYS A 13 -18.416 1.805 1.937 1.00 64.25 H new ATOM 191 N ALA A 14 -11.840 2.029 2.018 1.00 52.43 N ATOM 192 CA ALA A 14 -11.123 2.987 2.877 1.00 2.22 C ATOM 193 C ALA A 14 -10.195 3.879 2.039 1.00 44.45 C ATOM 194 O ALA A 14 -9.888 4.999 2.442 1.00 64.14 O ATOM 195 CB ALA A 14 -10.328 2.250 3.964 1.00 1.51 C ATOM 0 H ALA A 14 -11.488 1.075 2.097 1.00 52.43 H new ATOM 0 HA ALA A 14 -11.860 3.625 3.365 1.00 2.22 H new ATOM 0 HB1 ALA A 14 -9.806 2.975 4.588 1.00 1.51 H new ATOM 0 HB2 ALA A 14 -11.011 1.666 4.581 1.00 1.51 H new ATOM 0 HB3 ALA A 14 -9.602 1.585 3.496 1.00 1.51 H new ATOM 201 N TYR A 15 -9.723 3.340 0.894 1.00 44.00 N ATOM 202 CA TYR A 15 -8.914 4.078 -0.091 1.00 31.01 C ATOM 203 C TYR A 15 -9.784 5.115 -0.816 1.00 13.31 C ATOM 204 O TYR A 15 -9.381 6.264 -0.981 1.00 0.35 O ATOM 205 CB TYR A 15 -8.272 3.093 -1.116 1.00 53.22 C ATOM 206 CG TYR A 15 -7.506 3.783 -2.251 1.00 32.32 C ATOM 207 CD1 TYR A 15 -6.431 4.621 -1.973 1.00 51.23 C ATOM 208 CD2 TYR A 15 -7.886 3.641 -3.591 1.00 12.10 C ATOM 209 CE1 TYR A 15 -5.761 5.282 -2.972 1.00 24.31 C ATOM 210 CE2 TYR A 15 -7.217 4.313 -4.595 1.00 20.33 C ATOM 211 CZ TYR A 15 -6.155 5.133 -4.281 1.00 4.02 C ATOM 212 OH TYR A 15 -5.496 5.825 -5.278 1.00 53.14 O ATOM 0 H TYR A 15 -9.897 2.371 0.628 1.00 44.00 H new ATOM 0 HA TYR A 15 -8.112 4.598 0.433 1.00 31.01 H new ATOM 0 HB2 TYR A 15 -7.592 2.426 -0.586 1.00 53.22 H new ATOM 0 HB3 TYR A 15 -9.057 2.471 -1.547 1.00 53.22 H new ATOM 0 HD1 TYR A 15 -6.117 4.754 -0.948 1.00 51.23 H new ATOM 0 HD2 TYR A 15 -8.715 2.996 -3.843 1.00 12.10 H new ATOM 0 HE1 TYR A 15 -4.924 5.920 -2.730 1.00 24.31 H new ATOM 0 HE2 TYR A 15 -7.525 4.196 -5.623 1.00 20.33 H new ATOM 0 HH TYR A 15 -5.896 5.608 -6.146 1.00 53.14 H new ATOM 222 N LYS A 16 -10.970 4.664 -1.246 1.00 25.32 N ATOM 223 CA LYS A 16 -11.972 5.505 -1.921 1.00 1.35 C ATOM 224 C LYS A 16 -12.521 6.592 -0.970 1.00 60.02 C ATOM 225 O LYS A 16 -12.786 7.717 -1.396 1.00 4.54 O ATOM 226 CB LYS A 16 -13.119 4.601 -2.449 1.00 11.45 C ATOM 227 CG LYS A 16 -12.737 3.687 -3.641 1.00 51.01 C ATOM 228 CD LYS A 16 -12.568 4.466 -4.968 1.00 32.25 C ATOM 229 CE LYS A 16 -12.140 3.569 -6.141 1.00 73.40 C ATOM 230 NZ LYS A 16 -10.785 3.000 -5.932 1.00 22.23 N ATOM 0 H LYS A 16 -11.266 3.694 -1.134 1.00 25.32 H new ATOM 0 HA LYS A 16 -11.500 6.019 -2.759 1.00 1.35 H new ATOM 0 HB2 LYS A 16 -13.474 3.975 -1.630 1.00 11.45 H new ATOM 0 HB3 LYS A 16 -13.952 5.236 -2.750 1.00 11.45 H new ATOM 0 HG2 LYS A 16 -11.807 3.167 -3.410 1.00 51.01 H new ATOM 0 HG3 LYS A 16 -13.506 2.925 -3.769 1.00 51.01 H new ATOM 0 HD2 LYS A 16 -13.509 4.956 -5.217 1.00 32.25 H new ATOM 0 HD3 LYS A 16 -11.826 5.252 -4.829 1.00 32.25 H new ATOM 0 HE2 LYS A 16 -12.860 2.759 -6.261 1.00 73.40 H new ATOM 0 HE3 LYS A 16 -12.153 4.147 -7.065 1.00 73.40 H new ATOM 0 HZ1 LYS A 16 -10.434 2.603 -6.827 1.00 22.23 H new ATOM 0 HZ2 LYS A 16 -10.140 3.749 -5.609 1.00 22.23 H new ATOM 0 HZ3 LYS A 16 -10.831 2.249 -5.214 1.00 22.23 H new ATOM 244 N LYS A 17 -12.652 6.230 0.326 1.00 53.44 N ATOM 245 CA LYS A 17 -13.095 7.145 1.402 1.00 3.22 C ATOM 246 C LYS A 17 -12.029 8.234 1.632 1.00 21.22 C ATOM 247 O LYS A 17 -12.342 9.424 1.710 1.00 4.31 O ATOM 248 CB LYS A 17 -13.330 6.330 2.713 1.00 73.20 C ATOM 249 CG LYS A 17 -13.865 7.139 3.916 1.00 74.35 C ATOM 250 CD LYS A 17 -15.282 7.709 3.673 1.00 4.23 C ATOM 251 CE LYS A 17 -15.845 8.427 4.906 1.00 32.43 C ATOM 252 NZ LYS A 17 -17.233 8.909 4.683 1.00 4.20 N ATOM 0 H LYS A 17 -12.451 5.286 0.657 1.00 53.44 H new ATOM 0 HA LYS A 17 -14.029 7.626 1.111 1.00 3.22 H new ATOM 0 HB2 LYS A 17 -14.033 5.525 2.498 1.00 73.20 H new ATOM 0 HB3 LYS A 17 -12.389 5.862 3.002 1.00 73.20 H new ATOM 0 HG2 LYS A 17 -13.882 6.500 4.799 1.00 74.35 H new ATOM 0 HG3 LYS A 17 -13.180 7.960 4.130 1.00 74.35 H new ATOM 0 HD2 LYS A 17 -15.252 8.404 2.834 1.00 4.23 H new ATOM 0 HD3 LYS A 17 -15.953 6.898 3.391 1.00 4.23 H new ATOM 0 HE2 LYS A 17 -15.829 7.749 5.759 1.00 32.43 H new ATOM 0 HE3 LYS A 17 -15.204 9.272 5.158 1.00 32.43 H new ATOM 0 HZ1 LYS A 17 -17.576 9.388 5.540 1.00 4.20 H new ATOM 0 HZ2 LYS A 17 -17.245 9.576 3.885 1.00 4.20 H new ATOM 0 HZ3 LYS A 17 -17.851 8.101 4.468 1.00 4.20 H new ATOM 266 N ALA A 18 -10.769 7.778 1.713 1.00 5.22 N ATOM 267 CA ALA A 18 -9.578 8.632 1.837 1.00 54.20 C ATOM 268 C ALA A 18 -9.445 9.589 0.627 1.00 43.22 C ATOM 269 O ALA A 18 -9.003 10.732 0.768 1.00 51.22 O ATOM 270 CB ALA A 18 -8.354 7.727 1.918 1.00 4.02 C ATOM 0 H ALA A 18 -10.545 6.783 1.694 1.00 5.22 H new ATOM 0 HA ALA A 18 -9.665 9.246 2.734 1.00 54.20 H new ATOM 0 HB1 ALA A 18 -7.456 8.337 2.011 1.00 4.02 H new ATOM 0 HB2 ALA A 18 -8.441 7.075 2.787 1.00 4.02 H new ATOM 0 HB3 ALA A 18 -8.289 7.121 1.014 1.00 4.02 H new ATOM 276 N GLU A 19 -9.845 9.074 -0.554 1.00 74.33 N ATOM 277 CA GLU A 19 -9.757 9.772 -1.853 1.00 12.41 C ATOM 278 C GLU A 19 -10.834 10.886 -1.915 1.00 74.41 C ATOM 279 O GLU A 19 -10.580 11.966 -2.459 1.00 52.44 O ATOM 280 CB GLU A 19 -9.924 8.717 -3.004 1.00 52.12 C ATOM 281 CG GLU A 19 -9.226 9.017 -4.356 1.00 53.31 C ATOM 282 CD GLU A 19 -9.744 10.271 -5.083 1.00 31.45 C ATOM 283 OE1 GLU A 19 -10.886 10.245 -5.583 1.00 4.35 O ATOM 284 OE2 GLU A 19 -9.013 11.284 -5.175 1.00 14.20 O ATOM 0 H GLU A 19 -10.247 8.140 -0.633 1.00 74.33 H new ATOM 0 HA GLU A 19 -8.786 10.253 -1.973 1.00 12.41 H new ATOM 0 HB2 GLU A 19 -9.553 7.759 -2.639 1.00 52.12 H new ATOM 0 HB3 GLU A 19 -10.990 8.594 -3.196 1.00 52.12 H new ATOM 0 HG2 GLU A 19 -8.157 9.132 -4.180 1.00 53.31 H new ATOM 0 HG3 GLU A 19 -9.350 8.156 -5.012 1.00 53.31 H new ATOM 291 N GLU A 20 -12.023 10.620 -1.314 1.00 64.01 N ATOM 292 CA GLU A 20 -13.107 11.627 -1.176 1.00 50.35 C ATOM 293 C GLU A 20 -12.649 12.800 -0.302 1.00 45.31 C ATOM 294 O GLU A 20 -12.989 13.956 -0.561 1.00 71.03 O ATOM 295 CB GLU A 20 -14.397 11.003 -0.560 1.00 44.43 C ATOM 296 CG GLU A 20 -15.085 9.933 -1.427 1.00 52.33 C ATOM 297 CD GLU A 20 -15.329 10.390 -2.879 1.00 4.43 C ATOM 298 OE1 GLU A 20 -16.183 11.271 -3.103 1.00 43.22 O ATOM 299 OE2 GLU A 20 -14.663 9.878 -3.797 1.00 62.03 O ATOM 0 H GLU A 20 -12.255 9.710 -0.915 1.00 64.01 H new ATOM 0 HA GLU A 20 -13.338 11.986 -2.179 1.00 50.35 H new ATOM 0 HB2 GLU A 20 -14.143 10.560 0.403 1.00 44.43 H new ATOM 0 HB3 GLU A 20 -15.111 11.803 -0.364 1.00 44.43 H new ATOM 0 HG2 GLU A 20 -14.471 9.032 -1.435 1.00 52.33 H new ATOM 0 HG3 GLU A 20 -16.039 9.665 -0.972 1.00 52.33 H new ATOM 306 N LEU A 21 -11.882 12.463 0.744 1.00 54.23 N ATOM 307 CA LEU A 21 -11.294 13.439 1.664 1.00 53.43 C ATOM 308 C LEU A 21 -10.053 14.121 1.043 1.00 73.14 C ATOM 309 O LEU A 21 -9.601 15.163 1.536 1.00 52.34 O ATOM 310 CB LEU A 21 -10.923 12.714 2.990 1.00 15.43 C ATOM 311 CG LEU A 21 -12.100 11.981 3.717 1.00 22.21 C ATOM 312 CD1 LEU A 21 -11.608 11.201 4.958 1.00 41.34 C ATOM 313 CD2 LEU A 21 -13.232 12.964 4.072 1.00 74.03 C ATOM 0 H LEU A 21 -11.652 11.496 0.975 1.00 54.23 H new ATOM 0 HA LEU A 21 -12.021 14.225 1.866 1.00 53.43 H new ATOM 0 HB2 LEU A 21 -10.142 11.984 2.777 1.00 15.43 H new ATOM 0 HB3 LEU A 21 -10.497 13.446 3.676 1.00 15.43 H new ATOM 0 HG LEU A 21 -12.509 11.247 3.023 1.00 22.21 H new ATOM 0 HD11 LEU A 21 -12.454 10.706 5.435 1.00 41.34 H new ATOM 0 HD12 LEU A 21 -10.876 10.454 4.651 1.00 41.34 H new ATOM 0 HD13 LEU A 21 -11.147 11.893 5.663 1.00 41.34 H new ATOM 0 HD21 LEU A 21 -14.036 12.427 4.576 1.00 74.03 H new ATOM 0 HD22 LEU A 21 -12.846 13.741 4.732 1.00 74.03 H new ATOM 0 HD23 LEU A 21 -13.617 13.421 3.160 1.00 74.03 H new ATOM 325 N ASN A 22 -9.528 13.510 -0.054 1.00 61.54 N ATOM 326 CA ASN A 22 -8.317 13.969 -0.790 1.00 32.31 C ATOM 327 C ASN A 22 -7.075 13.933 0.135 1.00 3.02 C ATOM 328 O ASN A 22 -6.085 14.633 -0.079 1.00 24.51 O ATOM 329 CB ASN A 22 -8.558 15.382 -1.429 1.00 42.21 C ATOM 330 CG ASN A 22 -7.458 15.853 -2.399 1.00 62.15 C ATOM 331 OD1 ASN A 22 -6.829 15.052 -3.093 1.00 60.44 O ATOM 332 ND2 ASN A 22 -7.220 17.157 -2.453 1.00 40.13 N ATOM 0 H ASN A 22 -9.942 12.670 -0.459 1.00 61.54 H new ATOM 0 HA ASN A 22 -8.119 13.284 -1.614 1.00 32.31 H new ATOM 0 HB2 ASN A 22 -9.509 15.366 -1.962 1.00 42.21 H new ATOM 0 HB3 ASN A 22 -8.654 16.115 -0.628 1.00 42.21 H new ATOM 0 HD21 ASN A 22 -6.501 17.519 -3.080 1.00 40.13 H new ATOM 0 HD22 ASN A 22 -7.756 17.798 -1.867 1.00 40.13 H new ATOM 339 N GLN A 23 -7.148 13.073 1.165 1.00 15.25 N ATOM 340 CA GLN A 23 -6.094 12.913 2.178 1.00 41.21 C ATOM 341 C GLN A 23 -5.205 11.721 1.804 1.00 4.50 C ATOM 342 O GLN A 23 -5.573 10.560 2.024 1.00 4.32 O ATOM 343 CB GLN A 23 -6.729 12.758 3.588 1.00 31.10 C ATOM 344 CG GLN A 23 -7.529 14.005 4.045 1.00 74.44 C ATOM 345 CD GLN A 23 -8.153 13.880 5.442 1.00 52.53 C ATOM 346 OE1 GLN A 23 -7.618 13.211 6.326 1.00 15.01 O ATOM 347 NE2 GLN A 23 -9.294 14.530 5.651 1.00 5.05 N ATOM 0 H GLN A 23 -7.951 12.463 1.318 1.00 15.25 H new ATOM 0 HA GLN A 23 -5.463 13.801 2.207 1.00 41.21 H new ATOM 0 HB2 GLN A 23 -7.391 11.892 3.587 1.00 31.10 H new ATOM 0 HB3 GLN A 23 -5.941 12.556 4.313 1.00 31.10 H new ATOM 0 HG2 GLN A 23 -6.867 14.871 4.032 1.00 74.44 H new ATOM 0 HG3 GLN A 23 -8.322 14.198 3.322 1.00 74.44 H new ATOM 0 HE21 GLN A 23 -9.714 15.077 4.900 1.00 5.05 H new ATOM 0 HE22 GLN A 23 -9.749 14.482 6.563 1.00 5.05 H new ATOM 356 N GLY A 24 -4.039 12.041 1.204 1.00 40.33 N ATOM 357 CA GLY A 24 -3.148 11.050 0.613 1.00 44.22 C ATOM 358 C GLY A 24 -2.406 10.180 1.619 1.00 55.24 C ATOM 359 O GLY A 24 -1.939 9.106 1.265 1.00 64.21 O ATOM 0 H GLY A 24 -3.699 12.999 1.122 1.00 40.33 H new ATOM 0 HA2 GLY A 24 -3.730 10.405 -0.045 1.00 44.22 H new ATOM 0 HA3 GLY A 24 -2.417 11.565 -0.010 1.00 44.22 H new ATOM 363 N GLU A 25 -2.253 10.665 2.868 1.00 4.32 N ATOM 364 CA GLU A 25 -1.658 9.870 3.963 1.00 25.22 C ATOM 365 C GLU A 25 -2.512 8.609 4.197 1.00 41.22 C ATOM 366 O GLU A 25 -1.992 7.491 4.245 1.00 64.31 O ATOM 367 CB GLU A 25 -1.549 10.721 5.253 1.00 51.03 C ATOM 368 CG GLU A 25 -1.099 9.933 6.497 1.00 2.45 C ATOM 369 CD GLU A 25 -1.015 10.787 7.774 1.00 63.14 C ATOM 370 OE1 GLU A 25 -2.072 11.250 8.259 1.00 31.31 O ATOM 371 OE2 GLU A 25 0.100 11.000 8.293 1.00 32.21 O ATOM 0 H GLU A 25 -2.534 11.606 3.144 1.00 4.32 H new ATOM 0 HA GLU A 25 -0.649 9.564 3.686 1.00 25.22 H new ATOM 0 HB2 GLU A 25 -0.845 11.535 5.079 1.00 51.03 H new ATOM 0 HB3 GLU A 25 -2.518 11.176 5.457 1.00 51.03 H new ATOM 0 HG2 GLU A 25 -1.794 9.110 6.666 1.00 2.45 H new ATOM 0 HG3 GLU A 25 -0.122 9.490 6.302 1.00 2.45 H new ATOM 378 N LEU A 26 -3.835 8.833 4.276 1.00 13.24 N ATOM 379 CA LEU A 26 -4.848 7.772 4.391 1.00 54.31 C ATOM 380 C LEU A 26 -4.831 6.855 3.144 1.00 4.44 C ATOM 381 O LEU A 26 -4.872 5.628 3.273 1.00 64.32 O ATOM 382 CB LEU A 26 -6.256 8.406 4.553 1.00 42.03 C ATOM 383 CG LEU A 26 -6.547 9.204 5.859 1.00 71.41 C ATOM 384 CD1 LEU A 26 -7.908 9.927 5.766 1.00 52.43 C ATOM 385 CD2 LEU A 26 -6.515 8.280 7.084 1.00 64.33 C ATOM 0 H LEU A 26 -4.236 9.771 4.261 1.00 13.24 H new ATOM 0 HA LEU A 26 -4.615 7.168 5.268 1.00 54.31 H new ATOM 0 HB2 LEU A 26 -6.422 9.074 3.708 1.00 42.03 H new ATOM 0 HB3 LEU A 26 -6.994 7.607 4.477 1.00 42.03 H new ATOM 0 HG LEU A 26 -5.765 9.954 5.976 1.00 71.41 H new ATOM 0 HD11 LEU A 26 -8.091 10.478 6.689 1.00 52.43 H new ATOM 0 HD12 LEU A 26 -7.895 10.621 4.925 1.00 52.43 H new ATOM 0 HD13 LEU A 26 -8.700 9.193 5.618 1.00 52.43 H new ATOM 0 HD21 LEU A 26 -6.721 8.861 7.983 1.00 64.33 H new ATOM 0 HD22 LEU A 26 -7.271 7.502 6.973 1.00 64.33 H new ATOM 0 HD23 LEU A 26 -5.530 7.820 7.167 1.00 64.33 H new ATOM 397 N MET A 27 -4.770 7.479 1.938 1.00 60.34 N ATOM 398 CA MET A 27 -4.774 6.758 0.640 1.00 72.44 C ATOM 399 C MET A 27 -3.548 5.840 0.492 1.00 14.03 C ATOM 400 O MET A 27 -3.658 4.719 -0.011 1.00 74.14 O ATOM 401 CB MET A 27 -4.810 7.745 -0.565 1.00 61.44 C ATOM 402 CG MET A 27 -6.094 8.575 -0.704 1.00 2.41 C ATOM 403 SD MET A 27 -6.295 9.304 -2.347 1.00 31.25 S ATOM 404 CE MET A 27 -4.739 10.152 -2.576 1.00 50.14 C ATOM 0 H MET A 27 -4.717 8.493 1.840 1.00 60.34 H new ATOM 0 HA MET A 27 -5.678 6.149 0.635 1.00 72.44 H new ATOM 0 HB2 MET A 27 -3.965 8.428 -0.478 1.00 61.44 H new ATOM 0 HB3 MET A 27 -4.666 7.175 -1.483 1.00 61.44 H new ATOM 0 HG2 MET A 27 -6.954 7.942 -0.487 1.00 2.41 H new ATOM 0 HG3 MET A 27 -6.088 9.370 0.041 1.00 2.41 H new ATOM 0 HE1 MET A 27 -4.689 10.553 -3.588 1.00 50.14 H new ATOM 0 HE2 MET A 27 -4.660 10.968 -1.858 1.00 50.14 H new ATOM 0 HE3 MET A 27 -3.917 9.453 -2.421 1.00 50.14 H new ATOM 414 N GLY A 28 -2.397 6.351 0.937 1.00 51.02 N ATOM 415 CA GLY A 28 -1.138 5.634 0.861 1.00 54.03 C ATOM 416 C GLY A 28 -1.120 4.446 1.807 1.00 53.51 C ATOM 417 O GLY A 28 -0.669 3.369 1.433 1.00 22.55 O ATOM 0 H GLY A 28 -2.320 7.276 1.360 1.00 51.02 H new ATOM 0 HA2 GLY A 28 -0.974 5.290 -0.160 1.00 54.03 H new ATOM 0 HA3 GLY A 28 -0.318 6.309 1.106 1.00 54.03 H new ATOM 421 N ARG A 29 -1.635 4.664 3.040 1.00 20.33 N ATOM 422 CA ARG A 29 -1.767 3.610 4.071 1.00 23.21 C ATOM 423 C ARG A 29 -2.765 2.536 3.623 1.00 31.31 C ATOM 424 O ARG A 29 -2.605 1.368 3.955 1.00 41.03 O ATOM 425 CB ARG A 29 -2.188 4.223 5.441 1.00 4.31 C ATOM 426 CG ARG A 29 -1.075 5.055 6.124 1.00 1.40 C ATOM 427 CD ARG A 29 -1.527 5.768 7.412 1.00 14.20 C ATOM 428 NE ARG A 29 -0.417 6.531 8.009 1.00 3.42 N ATOM 429 CZ ARG A 29 -0.515 7.426 9.004 1.00 54.33 C ATOM 430 NH1 ARG A 29 -1.683 7.711 9.574 1.00 42.13 N ATOM 431 NH2 ARG A 29 0.573 8.061 9.403 1.00 2.55 N ATOM 0 H ARG A 29 -1.971 5.577 3.347 1.00 20.33 H new ATOM 0 HA ARG A 29 -0.794 3.137 4.200 1.00 23.21 H new ATOM 0 HB2 ARG A 29 -3.062 4.857 5.291 1.00 4.31 H new ATOM 0 HB3 ARG A 29 -2.489 3.418 6.111 1.00 4.31 H new ATOM 0 HG2 ARG A 29 -0.237 4.398 6.359 1.00 1.40 H new ATOM 0 HG3 ARG A 29 -0.708 5.800 5.418 1.00 1.40 H new ATOM 0 HD2 ARG A 29 -2.356 6.439 7.189 1.00 14.20 H new ATOM 0 HD3 ARG A 29 -1.895 5.034 8.128 1.00 14.20 H new ATOM 0 HE ARG A 29 0.515 6.363 7.630 1.00 3.42 H new ATOM 0 HH11 ARG A 29 -2.533 7.245 9.256 1.00 42.13 H new ATOM 0 HH12 ARG A 29 -1.729 8.396 10.329 1.00 42.13 H new ATOM 0 HH21 ARG A 29 1.469 7.868 8.956 1.00 2.55 H new ATOM 0 HH22 ARG A 29 0.517 8.745 10.158 1.00 2.55 H new ATOM 445 N ALA A 30 -3.778 2.956 2.844 1.00 23.53 N ATOM 446 CA ALA A 30 -4.790 2.056 2.268 1.00 32.41 C ATOM 447 C ALA A 30 -4.136 1.094 1.259 1.00 4.34 C ATOM 448 O ALA A 30 -4.306 -0.117 1.359 1.00 22.33 O ATOM 449 CB ALA A 30 -5.908 2.873 1.607 1.00 22.21 C ATOM 0 H ALA A 30 -3.917 3.935 2.596 1.00 23.53 H new ATOM 0 HA ALA A 30 -5.231 1.459 3.066 1.00 32.41 H new ATOM 0 HB1 ALA A 30 -6.651 2.197 1.184 1.00 22.21 H new ATOM 0 HB2 ALA A 30 -6.381 3.512 2.353 1.00 22.21 H new ATOM 0 HB3 ALA A 30 -5.487 3.491 0.814 1.00 22.21 H new ATOM 455 N LEU A 31 -3.350 1.669 0.321 1.00 41.15 N ATOM 456 CA LEU A 31 -2.612 0.914 -0.717 1.00 63.30 C ATOM 457 C LEU A 31 -1.495 0.054 -0.105 1.00 64.55 C ATOM 458 O LEU A 31 -1.192 -1.030 -0.609 1.00 32.23 O ATOM 459 CB LEU A 31 -2.003 1.897 -1.751 1.00 60.40 C ATOM 460 CG LEU A 31 -3.023 2.736 -2.575 1.00 51.24 C ATOM 461 CD1 LEU A 31 -2.309 3.842 -3.385 1.00 2.11 C ATOM 462 CD2 LEU A 31 -3.886 1.829 -3.479 1.00 12.00 C ATOM 0 H LEU A 31 -3.209 2.678 0.263 1.00 41.15 H new ATOM 0 HA LEU A 31 -3.320 0.248 -1.210 1.00 63.30 H new ATOM 0 HB2 LEU A 31 -1.340 2.583 -1.224 1.00 60.40 H new ATOM 0 HB3 LEU A 31 -1.386 1.327 -2.446 1.00 60.40 H new ATOM 0 HG LEU A 31 -3.696 3.231 -1.875 1.00 51.24 H new ATOM 0 HD11 LEU A 31 -3.046 4.412 -3.951 1.00 2.11 H new ATOM 0 HD12 LEU A 31 -1.780 4.508 -2.703 1.00 2.11 H new ATOM 0 HD13 LEU A 31 -1.597 3.387 -4.073 1.00 2.11 H new ATOM 0 HD21 LEU A 31 -4.590 2.441 -4.043 1.00 12.00 H new ATOM 0 HD22 LEU A 31 -3.242 1.286 -4.171 1.00 12.00 H new ATOM 0 HD23 LEU A 31 -4.437 1.119 -2.862 1.00 12.00 H new ATOM 474 N TYR A 32 -0.895 0.567 0.984 1.00 34.24 N ATOM 475 CA TYR A 32 0.170 -0.122 1.722 1.00 13.15 C ATOM 476 C TYR A 32 -0.406 -1.390 2.367 1.00 23.01 C ATOM 477 O TYR A 32 0.184 -2.459 2.255 1.00 14.02 O ATOM 478 CB TYR A 32 0.797 0.817 2.797 1.00 73.02 C ATOM 479 CG TYR A 32 1.976 0.202 3.572 1.00 23.34 C ATOM 480 CD1 TYR A 32 3.119 -0.228 2.898 1.00 23.43 C ATOM 481 CD2 TYR A 32 1.949 0.051 4.965 1.00 53.32 C ATOM 482 CE1 TYR A 32 4.181 -0.795 3.572 1.00 21.22 C ATOM 483 CE2 TYR A 32 3.015 -0.517 5.646 1.00 21.04 C ATOM 484 CZ TYR A 32 4.130 -0.933 4.944 1.00 52.13 C ATOM 485 OH TYR A 32 5.197 -1.500 5.617 1.00 71.41 O ATOM 0 H TYR A 32 -1.139 1.476 1.376 1.00 34.24 H new ATOM 0 HA TYR A 32 0.965 -0.402 1.031 1.00 13.15 H new ATOM 0 HB2 TYR A 32 1.136 1.731 2.309 1.00 73.02 H new ATOM 0 HB3 TYR A 32 0.022 1.104 3.507 1.00 73.02 H new ATOM 0 HD1 TYR A 32 3.174 -0.115 1.825 1.00 23.43 H new ATOM 0 HD2 TYR A 32 1.083 0.383 5.518 1.00 53.32 H new ATOM 0 HE1 TYR A 32 5.051 -1.130 3.027 1.00 21.22 H new ATOM 0 HE2 TYR A 32 2.974 -0.634 6.719 1.00 21.04 H new ATOM 0 HH TYR A 32 6.033 -1.263 5.163 1.00 71.41 H new ATOM 495 N ASN A 33 -1.599 -1.246 2.990 1.00 3.44 N ATOM 496 CA ASN A 33 -2.314 -2.357 3.648 1.00 22.30 C ATOM 497 C ASN A 33 -2.772 -3.400 2.622 1.00 73.11 C ATOM 498 O ASN A 33 -2.571 -4.590 2.843 1.00 23.44 O ATOM 499 CB ASN A 33 -3.523 -1.842 4.485 1.00 61.53 C ATOM 500 CG ASN A 33 -3.101 -1.059 5.732 1.00 63.32 C ATOM 501 OD1 ASN A 33 -2.049 -1.316 6.320 1.00 31.14 O ATOM 502 ND2 ASN A 33 -3.913 -0.095 6.138 1.00 50.53 N ATOM 0 H ASN A 33 -2.091 -0.354 3.049 1.00 3.44 H new ATOM 0 HA ASN A 33 -1.614 -2.835 4.333 1.00 22.30 H new ATOM 0 HB2 ASN A 33 -4.147 -1.205 3.857 1.00 61.53 H new ATOM 0 HB3 ASN A 33 -4.136 -2.691 4.787 1.00 61.53 H new ATOM 0 HD21 ASN A 33 -3.675 0.460 6.960 1.00 50.53 H new ATOM 0 HD22 ASN A 33 -4.777 0.092 5.629 1.00 50.53 H new ATOM 509 N ILE A 34 -3.355 -2.932 1.491 1.00 34.11 N ATOM 510 CA ILE A 34 -3.760 -3.804 0.362 1.00 13.41 C ATOM 511 C ILE A 34 -2.542 -4.614 -0.135 1.00 52.35 C ATOM 512 O ILE A 34 -2.652 -5.811 -0.395 1.00 3.41 O ATOM 513 CB ILE A 34 -4.382 -2.972 -0.834 1.00 54.42 C ATOM 514 CG1 ILE A 34 -5.727 -2.296 -0.412 1.00 52.32 C ATOM 515 CG2 ILE A 34 -4.585 -3.850 -2.093 1.00 44.41 C ATOM 516 CD1 ILE A 34 -6.331 -1.353 -1.451 1.00 51.33 C ATOM 0 H ILE A 34 -3.557 -1.944 1.337 1.00 34.11 H new ATOM 0 HA ILE A 34 -4.531 -4.483 0.726 1.00 13.41 H new ATOM 0 HB ILE A 34 -3.669 -2.187 -1.086 1.00 54.42 H new ATOM 0 HG12 ILE A 34 -6.453 -3.077 -0.187 1.00 52.32 H new ATOM 0 HG13 ILE A 34 -5.562 -1.738 0.510 1.00 52.32 H new ATOM 0 HG21 ILE A 34 -5.013 -3.246 -2.893 1.00 44.41 H new ATOM 0 HG22 ILE A 34 -3.624 -4.251 -2.416 1.00 44.41 H new ATOM 0 HG23 ILE A 34 -5.261 -4.672 -1.858 1.00 44.41 H new ATOM 0 HD11 ILE A 34 -7.261 -0.934 -1.066 1.00 51.33 H new ATOM 0 HD12 ILE A 34 -5.629 -0.546 -1.661 1.00 51.33 H new ATOM 0 HD13 ILE A 34 -6.534 -1.905 -2.369 1.00 51.33 H new ATOM 528 N GLY A 35 -1.384 -3.927 -0.212 1.00 32.44 N ATOM 529 CA GLY A 35 -0.124 -4.534 -0.622 1.00 44.24 C ATOM 530 C GLY A 35 0.343 -5.624 0.335 1.00 64.15 C ATOM 531 O GLY A 35 0.696 -6.717 -0.097 1.00 53.23 O ATOM 0 H GLY A 35 -1.308 -2.935 0.011 1.00 32.44 H new ATOM 0 HA2 GLY A 35 -0.237 -4.957 -1.620 1.00 44.24 H new ATOM 0 HA3 GLY A 35 0.642 -3.762 -0.688 1.00 44.24 H new ATOM 535 N LEU A 36 0.310 -5.322 1.655 1.00 63.45 N ATOM 536 CA LEU A 36 0.706 -6.270 2.723 1.00 14.44 C ATOM 537 C LEU A 36 -0.170 -7.532 2.668 1.00 55.42 C ATOM 538 O LEU A 36 0.319 -8.645 2.889 1.00 34.44 O ATOM 539 CB LEU A 36 0.589 -5.608 4.126 1.00 11.22 C ATOM 540 CG LEU A 36 1.496 -4.366 4.384 1.00 31.00 C ATOM 541 CD1 LEU A 36 1.149 -3.697 5.727 1.00 23.22 C ATOM 542 CD2 LEU A 36 2.995 -4.722 4.307 1.00 55.42 C ATOM 0 H LEU A 36 0.008 -4.414 2.009 1.00 63.45 H new ATOM 0 HA LEU A 36 1.747 -6.549 2.557 1.00 14.44 H new ATOM 0 HB2 LEU A 36 -0.449 -5.311 4.278 1.00 11.22 H new ATOM 0 HB3 LEU A 36 0.819 -6.361 4.880 1.00 11.22 H new ATOM 0 HG LEU A 36 1.296 -3.648 3.589 1.00 31.00 H new ATOM 0 HD11 LEU A 36 1.797 -2.834 5.882 1.00 23.22 H new ATOM 0 HD12 LEU A 36 0.109 -3.372 5.714 1.00 23.22 H new ATOM 0 HD13 LEU A 36 1.296 -4.411 6.538 1.00 23.22 H new ATOM 0 HD21 LEU A 36 3.591 -3.829 4.493 1.00 55.42 H new ATOM 0 HD22 LEU A 36 3.229 -5.477 5.058 1.00 55.42 H new ATOM 0 HD23 LEU A 36 3.226 -5.113 3.316 1.00 55.42 H new ATOM 554 N GLU A 37 -1.464 -7.326 2.350 1.00 24.32 N ATOM 555 CA GLU A 37 -2.434 -8.411 2.189 1.00 72.34 C ATOM 556 C GLU A 37 -2.080 -9.270 0.958 1.00 24.44 C ATOM 557 O GLU A 37 -2.025 -10.486 1.074 1.00 34.22 O ATOM 558 CB GLU A 37 -3.870 -7.862 2.070 1.00 75.42 C ATOM 559 CG GLU A 37 -4.394 -7.061 3.279 1.00 44.22 C ATOM 560 CD GLU A 37 -4.490 -7.871 4.583 1.00 43.22 C ATOM 561 OE1 GLU A 37 -5.460 -8.627 4.754 1.00 15.14 O ATOM 562 OE2 GLU A 37 -3.605 -7.741 5.450 1.00 3.20 O ATOM 0 H GLU A 37 -1.860 -6.398 2.199 1.00 24.32 H new ATOM 0 HA GLU A 37 -2.388 -9.039 3.079 1.00 72.34 H new ATOM 0 HB2 GLU A 37 -3.921 -7.224 1.188 1.00 75.42 H new ATOM 0 HB3 GLU A 37 -4.544 -8.701 1.896 1.00 75.42 H new ATOM 0 HG2 GLU A 37 -3.739 -6.205 3.444 1.00 44.22 H new ATOM 0 HG3 GLU A 37 -5.381 -6.665 3.038 1.00 44.22 H new ATOM 569 N LYS A 38 -1.800 -8.620 -0.210 1.00 74.51 N ATOM 570 CA LYS A 38 -1.395 -9.339 -1.454 1.00 1.52 C ATOM 571 C LYS A 38 -0.134 -10.198 -1.199 1.00 61.14 C ATOM 572 O LYS A 38 -0.022 -11.327 -1.691 1.00 62.35 O ATOM 573 CB LYS A 38 -1.092 -8.359 -2.633 1.00 24.51 C ATOM 574 CG LYS A 38 -2.251 -7.450 -3.095 1.00 60.40 C ATOM 575 CD LYS A 38 -3.507 -8.219 -3.559 1.00 72.51 C ATOM 576 CE LYS A 38 -4.596 -7.276 -4.114 1.00 24.45 C ATOM 577 NZ LYS A 38 -5.898 -7.979 -4.304 1.00 24.32 N ATOM 0 H LYS A 38 -1.847 -7.606 -0.314 1.00 74.51 H new ATOM 0 HA LYS A 38 -2.238 -9.971 -1.733 1.00 1.52 H new ATOM 0 HB2 LYS A 38 -0.257 -7.723 -2.340 1.00 24.51 H new ATOM 0 HB3 LYS A 38 -0.760 -8.948 -3.488 1.00 24.51 H new ATOM 0 HG2 LYS A 38 -2.526 -6.786 -2.276 1.00 60.40 H new ATOM 0 HG3 LYS A 38 -1.901 -6.820 -3.913 1.00 60.40 H new ATOM 0 HD2 LYS A 38 -3.227 -8.939 -4.327 1.00 72.51 H new ATOM 0 HD3 LYS A 38 -3.913 -8.787 -2.722 1.00 72.51 H new ATOM 0 HE2 LYS A 38 -4.733 -6.438 -3.431 1.00 24.45 H new ATOM 0 HE3 LYS A 38 -4.266 -6.861 -5.066 1.00 24.45 H new ATOM 0 HZ1 LYS A 38 -6.665 -7.279 -4.362 1.00 24.32 H new ATOM 0 HZ2 LYS A 38 -5.868 -8.534 -5.183 1.00 24.32 H new ATOM 0 HZ3 LYS A 38 -6.070 -8.615 -3.499 1.00 24.32 H new ATOM 591 N ASN A 39 0.789 -9.631 -0.399 1.00 51.24 N ATOM 592 CA ASN A 39 2.091 -10.239 -0.058 1.00 54.01 C ATOM 593 C ASN A 39 1.876 -11.538 0.757 1.00 5.13 C ATOM 594 O ASN A 39 2.468 -12.582 0.451 1.00 4.41 O ATOM 595 CB ASN A 39 2.957 -9.192 0.728 1.00 5.34 C ATOM 596 CG ASN A 39 4.471 -9.468 0.730 1.00 42.34 C ATOM 597 OD1 ASN A 39 4.922 -10.611 0.706 1.00 10.22 O ATOM 598 ND2 ASN A 39 5.272 -8.405 0.755 1.00 12.52 N ATOM 0 H ASN A 39 0.649 -8.720 0.037 1.00 51.24 H new ATOM 0 HA ASN A 39 2.626 -10.513 -0.967 1.00 54.01 H new ATOM 0 HB2 ASN A 39 2.784 -8.205 0.299 1.00 5.34 H new ATOM 0 HB3 ASN A 39 2.608 -9.157 1.760 1.00 5.34 H new ATOM 0 HD21 ASN A 39 6.284 -8.529 0.754 1.00 12.52 H new ATOM 0 HD22 ASN A 39 4.873 -7.466 0.775 1.00 12.52 H new ATOM 605 N LYS A 40 0.993 -11.463 1.781 1.00 54.33 N ATOM 606 CA LYS A 40 0.634 -12.623 2.636 1.00 14.24 C ATOM 607 C LYS A 40 -0.344 -13.593 1.919 1.00 3.14 C ATOM 608 O LYS A 40 -0.525 -14.726 2.371 1.00 34.11 O ATOM 609 CB LYS A 40 0.079 -12.160 4.021 1.00 4.13 C ATOM 610 CG LYS A 40 -1.343 -11.554 4.000 1.00 24.33 C ATOM 611 CD LYS A 40 -1.757 -10.889 5.340 1.00 44.04 C ATOM 612 CE LYS A 40 -0.839 -9.719 5.727 1.00 40.45 C ATOM 613 NZ LYS A 40 -1.376 -8.941 6.868 1.00 24.13 N ATOM 0 H LYS A 40 0.511 -10.602 2.038 1.00 54.33 H new ATOM 0 HA LYS A 40 1.551 -13.182 2.822 1.00 14.24 H new ATOM 0 HB2 LYS A 40 0.081 -13.015 4.697 1.00 4.13 H new ATOM 0 HB3 LYS A 40 0.763 -11.422 4.439 1.00 4.13 H new ATOM 0 HG2 LYS A 40 -1.401 -10.812 3.203 1.00 24.33 H new ATOM 0 HG3 LYS A 40 -2.059 -12.339 3.757 1.00 24.33 H new ATOM 0 HD2 LYS A 40 -2.783 -10.530 5.262 1.00 44.04 H new ATOM 0 HD3 LYS A 40 -1.740 -11.637 6.133 1.00 44.04 H new ATOM 0 HE2 LYS A 40 0.148 -10.103 5.984 1.00 40.45 H new ATOM 0 HE3 LYS A 40 -0.711 -9.060 4.868 1.00 40.45 H new ATOM 0 HZ1 LYS A 40 -0.653 -8.273 7.203 1.00 24.13 H new ATOM 0 HZ2 LYS A 40 -2.219 -8.414 6.563 1.00 24.13 H new ATOM 0 HZ3 LYS A 40 -1.633 -9.589 7.640 1.00 24.13 H new ATOM 627 N MET A 41 -0.998 -13.131 0.820 1.00 5.23 N ATOM 628 CA MET A 41 -1.819 -14.006 -0.062 1.00 13.10 C ATOM 629 C MET A 41 -0.915 -14.889 -0.942 1.00 1.14 C ATOM 630 O MET A 41 -1.340 -15.947 -1.418 1.00 41.13 O ATOM 631 CB MET A 41 -2.744 -13.164 -0.997 1.00 73.53 C ATOM 632 CG MET A 41 -3.907 -12.445 -0.304 1.00 23.03 C ATOM 633 SD MET A 41 -4.797 -11.328 -1.412 1.00 55.41 S ATOM 634 CE MET A 41 -5.409 -12.454 -2.664 1.00 62.24 C ATOM 0 H MET A 41 -0.973 -12.156 0.523 1.00 5.23 H new ATOM 0 HA MET A 41 -2.433 -14.629 0.588 1.00 13.10 H new ATOM 0 HB2 MET A 41 -2.133 -12.420 -1.508 1.00 73.53 H new ATOM 0 HB3 MET A 41 -3.152 -13.823 -1.763 1.00 73.53 H new ATOM 0 HG2 MET A 41 -4.601 -13.185 0.093 1.00 23.03 H new ATOM 0 HG3 MET A 41 -3.524 -11.879 0.545 1.00 23.03 H new ATOM 0 HE1 MET A 41 -5.852 -11.884 -3.481 1.00 62.24 H new ATOM 0 HE2 MET A 41 -4.585 -13.056 -3.047 1.00 62.24 H new ATOM 0 HE3 MET A 41 -6.163 -13.108 -2.227 1.00 62.24 H new ATOM 644 N GLY A 42 0.339 -14.443 -1.138 1.00 2.42 N ATOM 645 CA GLY A 42 1.285 -15.105 -2.040 1.00 10.05 C ATOM 646 C GLY A 42 1.496 -14.322 -3.331 1.00 70.51 C ATOM 647 O GLY A 42 2.486 -14.549 -4.036 1.00 61.24 O ATOM 0 H GLY A 42 0.719 -13.617 -0.676 1.00 2.42 H new ATOM 0 HA2 GLY A 42 2.242 -15.229 -1.532 1.00 10.05 H new ATOM 0 HA3 GLY A 42 0.918 -16.103 -2.279 1.00 10.05 H new ATOM 651 N LYS A 43 0.569 -13.382 -3.641 1.00 42.30 N ATOM 652 CA LYS A 43 0.668 -12.515 -4.836 1.00 74.23 C ATOM 653 C LYS A 43 1.487 -11.257 -4.505 1.00 11.52 C ATOM 654 O LYS A 43 0.988 -10.122 -4.525 1.00 42.13 O ATOM 655 CB LYS A 43 -0.739 -12.164 -5.404 1.00 32.31 C ATOM 656 CG LYS A 43 -1.538 -13.393 -5.890 1.00 64.33 C ATOM 657 CD LYS A 43 -2.803 -13.024 -6.702 1.00 13.32 C ATOM 658 CE LYS A 43 -3.817 -12.191 -5.906 1.00 20.41 C ATOM 659 NZ LYS A 43 -4.953 -11.743 -6.759 1.00 14.53 N ATOM 0 H LYS A 43 -0.260 -13.206 -3.074 1.00 42.30 H new ATOM 0 HA LYS A 43 1.190 -13.061 -5.621 1.00 74.23 H new ATOM 0 HB2 LYS A 43 -1.314 -11.650 -4.634 1.00 32.31 H new ATOM 0 HB3 LYS A 43 -0.622 -11.467 -6.234 1.00 32.31 H new ATOM 0 HG2 LYS A 43 -0.890 -14.018 -6.505 1.00 64.33 H new ATOM 0 HG3 LYS A 43 -1.831 -13.991 -5.027 1.00 64.33 H new ATOM 0 HD2 LYS A 43 -2.506 -12.468 -7.591 1.00 13.32 H new ATOM 0 HD3 LYS A 43 -3.285 -13.939 -7.045 1.00 13.32 H new ATOM 0 HE2 LYS A 43 -4.198 -12.781 -5.073 1.00 20.41 H new ATOM 0 HE3 LYS A 43 -3.318 -11.321 -5.479 1.00 20.41 H new ATOM 0 HZ1 LYS A 43 -5.626 -11.198 -6.183 1.00 14.53 H new ATOM 0 HZ2 LYS A 43 -4.593 -11.145 -7.530 1.00 14.53 H new ATOM 0 HZ3 LYS A 43 -5.434 -12.573 -7.160 1.00 14.53 H new ATOM 673 N VAL A 44 2.767 -11.513 -4.191 1.00 71.03 N ATOM 674 CA VAL A 44 3.777 -10.504 -3.829 1.00 22.34 C ATOM 675 C VAL A 44 4.028 -9.528 -5.007 1.00 35.43 C ATOM 676 O VAL A 44 4.425 -8.382 -4.808 1.00 13.24 O ATOM 677 CB VAL A 44 5.121 -11.225 -3.402 1.00 31.41 C ATOM 678 CG1 VAL A 44 6.184 -10.226 -2.902 1.00 44.20 C ATOM 679 CG2 VAL A 44 4.852 -12.319 -2.335 1.00 45.34 C ATOM 0 H VAL A 44 3.141 -12.462 -4.182 1.00 71.03 H new ATOM 0 HA VAL A 44 3.406 -9.920 -2.987 1.00 22.34 H new ATOM 0 HB VAL A 44 5.521 -11.704 -4.295 1.00 31.41 H new ATOM 0 HG11 VAL A 44 7.088 -10.767 -2.621 1.00 44.20 H new ATOM 0 HG12 VAL A 44 6.418 -9.516 -3.695 1.00 44.20 H new ATOM 0 HG13 VAL A 44 5.799 -9.688 -2.036 1.00 44.20 H new ATOM 0 HG21 VAL A 44 5.792 -12.798 -2.060 1.00 45.34 H new ATOM 0 HG22 VAL A 44 4.405 -11.863 -1.452 1.00 45.34 H new ATOM 0 HG23 VAL A 44 4.170 -13.065 -2.743 1.00 45.34 H new ATOM 689 N LYS A 45 3.757 -10.020 -6.226 1.00 12.04 N ATOM 690 CA LYS A 45 3.940 -9.283 -7.491 1.00 12.34 C ATOM 691 C LYS A 45 2.971 -8.082 -7.575 1.00 0.44 C ATOM 692 O LYS A 45 3.353 -6.995 -8.035 1.00 44.02 O ATOM 693 CB LYS A 45 3.745 -10.243 -8.712 1.00 31.02 C ATOM 694 CG LYS A 45 4.893 -11.278 -8.941 1.00 12.05 C ATOM 695 CD LYS A 45 5.113 -12.261 -7.756 1.00 34.05 C ATOM 696 CE LYS A 45 6.238 -13.280 -8.007 1.00 63.44 C ATOM 697 NZ LYS A 45 5.960 -14.166 -9.166 1.00 62.00 N ATOM 0 H LYS A 45 3.396 -10.964 -6.365 1.00 12.04 H new ATOM 0 HA LYS A 45 4.957 -8.893 -7.518 1.00 12.34 H new ATOM 0 HB2 LYS A 45 2.810 -10.787 -8.579 1.00 31.02 H new ATOM 0 HB3 LYS A 45 3.638 -9.640 -9.613 1.00 31.02 H new ATOM 0 HG2 LYS A 45 4.673 -11.854 -9.840 1.00 12.05 H new ATOM 0 HG3 LYS A 45 5.821 -10.738 -9.127 1.00 12.05 H new ATOM 0 HD2 LYS A 45 5.345 -11.689 -6.858 1.00 34.05 H new ATOM 0 HD3 LYS A 45 4.184 -12.797 -7.561 1.00 34.05 H new ATOM 0 HE2 LYS A 45 7.174 -12.748 -8.178 1.00 63.44 H new ATOM 0 HE3 LYS A 45 6.377 -13.889 -7.114 1.00 63.44 H new ATOM 0 HZ1 LYS A 45 6.706 -14.886 -9.239 1.00 62.00 H new ATOM 0 HZ2 LYS A 45 5.040 -14.633 -9.033 1.00 62.00 H new ATOM 0 HZ3 LYS A 45 5.938 -13.600 -10.038 1.00 62.00 H new ATOM 711 N GLU A 46 1.710 -8.298 -7.131 1.00 51.41 N ATOM 712 CA GLU A 46 0.686 -7.228 -7.044 1.00 23.20 C ATOM 713 C GLU A 46 1.022 -6.267 -5.896 1.00 42.32 C ATOM 714 O GLU A 46 0.884 -5.047 -6.044 1.00 1.43 O ATOM 715 CB GLU A 46 -0.734 -7.817 -6.848 1.00 22.31 C ATOM 716 CG GLU A 46 -1.228 -8.694 -8.019 1.00 61.31 C ATOM 717 CD GLU A 46 -2.675 -9.207 -7.872 1.00 43.34 C ATOM 718 OE1 GLU A 46 -3.420 -8.717 -6.997 1.00 22.03 O ATOM 719 OE2 GLU A 46 -3.083 -10.110 -8.636 1.00 13.10 O ATOM 0 H GLU A 46 1.375 -9.212 -6.825 1.00 51.41 H new ATOM 0 HA GLU A 46 0.694 -6.680 -7.986 1.00 23.20 H new ATOM 0 HB2 GLU A 46 -0.744 -8.412 -5.935 1.00 22.31 H new ATOM 0 HB3 GLU A 46 -1.437 -6.997 -6.702 1.00 22.31 H new ATOM 0 HG2 GLU A 46 -1.152 -8.120 -8.943 1.00 61.31 H new ATOM 0 HG3 GLU A 46 -0.561 -9.550 -8.120 1.00 61.31 H new ATOM 726 N ALA A 47 1.514 -6.854 -4.776 1.00 71.03 N ATOM 727 CA ALA A 47 1.916 -6.125 -3.558 1.00 41.44 C ATOM 728 C ALA A 47 2.926 -5.016 -3.878 1.00 3.24 C ATOM 729 O ALA A 47 2.816 -3.911 -3.351 1.00 3.00 O ATOM 730 CB ALA A 47 2.520 -7.100 -2.538 1.00 73.11 C ATOM 0 H ALA A 47 1.642 -7.863 -4.698 1.00 71.03 H new ATOM 0 HA ALA A 47 1.025 -5.661 -3.135 1.00 41.44 H new ATOM 0 HB1 ALA A 47 2.814 -6.553 -1.642 1.00 73.11 H new ATOM 0 HB2 ALA A 47 1.780 -7.856 -2.275 1.00 73.11 H new ATOM 0 HB3 ALA A 47 3.395 -7.584 -2.971 1.00 73.11 H new ATOM 736 N ILE A 48 3.883 -5.355 -4.772 1.00 21.13 N ATOM 737 CA ILE A 48 4.907 -4.438 -5.295 1.00 51.33 C ATOM 738 C ILE A 48 4.271 -3.151 -5.856 1.00 14.13 C ATOM 739 O ILE A 48 4.609 -2.053 -5.413 1.00 61.34 O ATOM 740 CB ILE A 48 5.764 -5.173 -6.403 1.00 33.53 C ATOM 741 CG1 ILE A 48 6.647 -6.283 -5.751 1.00 63.34 C ATOM 742 CG2 ILE A 48 6.626 -4.195 -7.236 1.00 64.05 C ATOM 743 CD1 ILE A 48 7.372 -7.182 -6.732 1.00 54.52 C ATOM 0 H ILE A 48 3.962 -6.297 -5.155 1.00 21.13 H new ATOM 0 HA ILE A 48 5.563 -4.145 -4.475 1.00 51.33 H new ATOM 0 HB ILE A 48 5.066 -5.637 -7.100 1.00 33.53 H new ATOM 0 HG12 ILE A 48 7.384 -5.807 -5.104 1.00 63.34 H new ATOM 0 HG13 ILE A 48 6.015 -6.901 -5.113 1.00 63.34 H new ATOM 0 HG21 ILE A 48 7.193 -4.754 -7.981 1.00 64.05 H new ATOM 0 HG22 ILE A 48 5.978 -3.476 -7.737 1.00 64.05 H new ATOM 0 HG23 ILE A 48 7.315 -3.666 -6.578 1.00 64.05 H new ATOM 0 HD11 ILE A 48 7.958 -7.920 -6.184 1.00 54.52 H new ATOM 0 HD12 ILE A 48 6.645 -7.692 -7.364 1.00 54.52 H new ATOM 0 HD13 ILE A 48 8.035 -6.581 -7.355 1.00 54.52 H new ATOM 755 N GLU A 49 3.309 -3.320 -6.789 1.00 61.14 N ATOM 756 CA GLU A 49 2.622 -2.197 -7.466 1.00 44.23 C ATOM 757 C GLU A 49 1.853 -1.306 -6.469 1.00 0.25 C ATOM 758 O GLU A 49 1.782 -0.090 -6.652 1.00 4.04 O ATOM 759 CB GLU A 49 1.675 -2.728 -8.571 1.00 13.34 C ATOM 760 CG GLU A 49 2.402 -3.405 -9.755 1.00 4.42 C ATOM 761 CD GLU A 49 1.454 -3.804 -10.903 1.00 72.43 C ATOM 762 OE1 GLU A 49 0.586 -2.993 -11.282 1.00 40.50 O ATOM 763 OE2 GLU A 49 1.584 -4.913 -11.454 1.00 41.44 O ATOM 0 H GLU A 49 2.986 -4.238 -7.094 1.00 61.14 H new ATOM 0 HA GLU A 49 3.388 -1.576 -7.929 1.00 44.23 H new ATOM 0 HB2 GLU A 49 0.982 -3.443 -8.128 1.00 13.34 H new ATOM 0 HB3 GLU A 49 1.078 -1.899 -8.951 1.00 13.34 H new ATOM 0 HG2 GLU A 49 3.164 -2.727 -10.141 1.00 4.42 H new ATOM 0 HG3 GLU A 49 2.920 -4.294 -9.395 1.00 4.42 H new ATOM 770 N TYR A 50 1.305 -1.927 -5.412 1.00 42.22 N ATOM 771 CA TYR A 50 0.579 -1.217 -4.345 1.00 23.15 C ATOM 772 C TYR A 50 1.524 -0.433 -3.413 1.00 71.35 C ATOM 773 O TYR A 50 1.142 0.624 -2.915 1.00 63.23 O ATOM 774 CB TYR A 50 -0.292 -2.200 -3.536 1.00 55.13 C ATOM 775 CG TYR A 50 -1.553 -2.647 -4.282 1.00 23.42 C ATOM 776 CD1 TYR A 50 -2.594 -1.743 -4.530 1.00 30.25 C ATOM 777 CD2 TYR A 50 -1.702 -3.950 -4.756 1.00 32.34 C ATOM 778 CE1 TYR A 50 -3.723 -2.129 -5.224 1.00 4.13 C ATOM 779 CE2 TYR A 50 -2.823 -4.337 -5.456 1.00 13.42 C ATOM 780 CZ TYR A 50 -3.834 -3.428 -5.681 1.00 31.52 C ATOM 781 OH TYR A 50 -4.948 -3.809 -6.395 1.00 31.34 O ATOM 0 H TYR A 50 1.353 -2.936 -5.273 1.00 42.22 H new ATOM 0 HA TYR A 50 -0.069 -0.486 -4.829 1.00 23.15 H new ATOM 0 HB2 TYR A 50 0.302 -3.078 -3.283 1.00 55.13 H new ATOM 0 HB3 TYR A 50 -0.582 -1.729 -2.596 1.00 55.13 H new ATOM 0 HD1 TYR A 50 -2.512 -0.727 -4.172 1.00 30.25 H new ATOM 0 HD2 TYR A 50 -0.921 -4.672 -4.570 1.00 32.34 H new ATOM 0 HE1 TYR A 50 -4.516 -1.419 -5.409 1.00 4.13 H new ATOM 0 HE2 TYR A 50 -2.909 -5.348 -5.827 1.00 13.42 H new ATOM 0 HH TYR A 50 -4.870 -4.754 -6.644 1.00 31.34 H new ATOM 791 N PHE A 51 2.740 -0.963 -3.170 1.00 15.14 N ATOM 792 CA PHE A 51 3.771 -0.263 -2.362 1.00 5.11 C ATOM 793 C PHE A 51 4.420 0.871 -3.184 1.00 32.12 C ATOM 794 O PHE A 51 4.875 1.864 -2.623 1.00 71.12 O ATOM 795 CB PHE A 51 4.885 -1.230 -1.887 1.00 43.04 C ATOM 796 CG PHE A 51 4.461 -2.417 -1.022 1.00 14.23 C ATOM 797 CD1 PHE A 51 3.475 -2.292 -0.048 1.00 24.44 C ATOM 798 CD2 PHE A 51 5.079 -3.667 -1.181 1.00 44.03 C ATOM 799 CE1 PHE A 51 3.115 -3.374 0.731 1.00 74.31 C ATOM 800 CE2 PHE A 51 4.716 -4.747 -0.404 1.00 44.41 C ATOM 801 CZ PHE A 51 3.732 -4.599 0.552 1.00 52.04 C ATOM 0 H PHE A 51 3.036 -1.874 -3.520 1.00 15.14 H new ATOM 0 HA PHE A 51 3.266 0.147 -1.487 1.00 5.11 H new ATOM 0 HB2 PHE A 51 5.392 -1.620 -2.770 1.00 43.04 H new ATOM 0 HB3 PHE A 51 5.619 -0.650 -1.328 1.00 43.04 H new ATOM 0 HD1 PHE A 51 2.987 -1.340 0.100 1.00 24.44 H new ATOM 0 HD2 PHE A 51 5.853 -3.785 -1.925 1.00 44.03 H new ATOM 0 HE1 PHE A 51 2.348 -3.263 1.483 1.00 74.31 H new ATOM 0 HE2 PHE A 51 5.199 -5.703 -0.543 1.00 44.41 H new ATOM 0 HZ PHE A 51 3.443 -5.442 1.162 1.00 52.04 H new ATOM 811 N LEU A 52 4.461 0.682 -4.521 1.00 62.23 N ATOM 812 CA LEU A 52 5.025 1.673 -5.476 1.00 14.54 C ATOM 813 C LEU A 52 4.109 2.902 -5.531 1.00 11.52 C ATOM 814 O LEU A 52 4.575 4.050 -5.496 1.00 42.04 O ATOM 815 CB LEU A 52 5.180 1.047 -6.900 1.00 25.22 C ATOM 816 CG LEU A 52 6.352 0.029 -7.091 1.00 71.44 C ATOM 817 CD1 LEU A 52 6.274 -0.664 -8.467 1.00 21.32 C ATOM 818 CD2 LEU A 52 7.723 0.709 -6.901 1.00 73.42 C ATOM 0 H LEU A 52 4.105 -0.160 -4.973 1.00 62.23 H new ATOM 0 HA LEU A 52 6.015 1.973 -5.132 1.00 14.54 H new ATOM 0 HB2 LEU A 52 4.247 0.545 -7.155 1.00 25.22 H new ATOM 0 HB3 LEU A 52 5.312 1.858 -7.617 1.00 25.22 H new ATOM 0 HG LEU A 52 6.246 -0.736 -6.321 1.00 71.44 H new ATOM 0 HD11 LEU A 52 7.102 -1.365 -8.569 1.00 21.32 H new ATOM 0 HD12 LEU A 52 5.330 -1.203 -8.550 1.00 21.32 H new ATOM 0 HD13 LEU A 52 6.334 0.086 -9.256 1.00 21.32 H new ATOM 0 HD21 LEU A 52 8.516 -0.026 -7.040 1.00 73.42 H new ATOM 0 HD22 LEU A 52 7.837 1.509 -7.633 1.00 73.42 H new ATOM 0 HD23 LEU A 52 7.787 1.125 -5.896 1.00 73.42 H new ATOM 830 N ARG A 53 2.794 2.619 -5.606 1.00 64.51 N ATOM 831 CA ARG A 53 1.743 3.639 -5.566 1.00 0.21 C ATOM 832 C ARG A 53 1.709 4.313 -4.188 1.00 11.24 C ATOM 833 O ARG A 53 1.731 5.536 -4.115 1.00 44.32 O ATOM 834 CB ARG A 53 0.360 3.019 -5.924 1.00 63.20 C ATOM 835 CG ARG A 53 0.197 2.669 -7.418 1.00 14.35 C ATOM 836 CD ARG A 53 -1.201 2.104 -7.760 1.00 14.35 C ATOM 837 NE ARG A 53 -1.420 2.030 -9.214 1.00 13.15 N ATOM 838 CZ ARG A 53 -2.232 2.828 -9.931 1.00 25.41 C ATOM 839 NH1 ARG A 53 -2.939 3.795 -9.353 1.00 41.55 N ATOM 840 NH2 ARG A 53 -2.320 2.658 -11.238 1.00 45.11 N ATOM 0 H ARG A 53 2.435 1.669 -5.697 1.00 64.51 H new ATOM 0 HA ARG A 53 1.967 4.401 -6.312 1.00 0.21 H new ATOM 0 HB2 ARG A 53 0.214 2.116 -5.332 1.00 63.20 H new ATOM 0 HB3 ARG A 53 -0.425 3.718 -5.637 1.00 63.20 H new ATOM 0 HG2 ARG A 53 0.377 3.562 -8.016 1.00 14.35 H new ATOM 0 HG3 ARG A 53 0.956 1.939 -7.699 1.00 14.35 H new ATOM 0 HD2 ARG A 53 -1.308 1.110 -7.325 1.00 14.35 H new ATOM 0 HD3 ARG A 53 -1.968 2.733 -7.308 1.00 14.35 H new ATOM 0 HE ARG A 53 -0.910 1.309 -9.724 1.00 13.15 H new ATOM 0 HH11 ARG A 53 -2.872 3.944 -8.346 1.00 41.55 H new ATOM 0 HH12 ARG A 53 -3.548 4.388 -9.917 1.00 41.55 H new ATOM 0 HH21 ARG A 53 -1.775 1.927 -11.695 1.00 45.11 H new ATOM 0 HH22 ARG A 53 -2.933 3.258 -11.790 1.00 45.11 H new ATOM 854 N ALA A 54 1.722 3.485 -3.112 1.00 2.23 N ATOM 855 CA ALA A 54 1.658 3.964 -1.711 1.00 54.54 C ATOM 856 C ALA A 54 2.775 4.971 -1.418 1.00 61.35 C ATOM 857 O ALA A 54 2.501 6.069 -0.941 1.00 2.42 O ATOM 858 CB ALA A 54 1.734 2.784 -0.720 1.00 72.11 C ATOM 0 H ALA A 54 1.777 2.470 -3.193 1.00 2.23 H new ATOM 0 HA ALA A 54 0.700 4.467 -1.581 1.00 54.54 H new ATOM 0 HB1 ALA A 54 1.685 3.163 0.301 1.00 72.11 H new ATOM 0 HB2 ALA A 54 0.899 2.106 -0.896 1.00 72.11 H new ATOM 0 HB3 ALA A 54 2.672 2.248 -0.864 1.00 72.11 H new ATOM 864 N LYS A 55 4.017 4.592 -1.787 1.00 13.13 N ATOM 865 CA LYS A 55 5.238 5.391 -1.551 1.00 12.13 C ATOM 866 C LYS A 55 5.199 6.727 -2.321 1.00 32.04 C ATOM 867 O LYS A 55 5.695 7.748 -1.835 1.00 74.11 O ATOM 868 CB LYS A 55 6.487 4.567 -1.965 1.00 62.43 C ATOM 869 CG LYS A 55 7.837 5.247 -1.663 1.00 65.32 C ATOM 870 CD LYS A 55 9.049 4.332 -1.947 1.00 54.40 C ATOM 871 CE LYS A 55 10.386 5.000 -1.582 1.00 41.04 C ATOM 872 NZ LYS A 55 10.639 6.229 -2.374 1.00 1.04 N ATOM 0 H LYS A 55 4.202 3.710 -2.264 1.00 13.13 H new ATOM 0 HA LYS A 55 5.292 5.627 -0.488 1.00 12.13 H new ATOM 0 HB2 LYS A 55 6.457 3.606 -1.452 1.00 62.43 H new ATOM 0 HB3 LYS A 55 6.431 4.360 -3.034 1.00 62.43 H new ATOM 0 HG2 LYS A 55 7.924 6.153 -2.263 1.00 65.32 H new ATOM 0 HG3 LYS A 55 7.857 5.554 -0.617 1.00 65.32 H new ATOM 0 HD2 LYS A 55 8.942 3.406 -1.382 1.00 54.40 H new ATOM 0 HD3 LYS A 55 9.057 4.062 -3.003 1.00 54.40 H new ATOM 0 HE2 LYS A 55 10.387 5.248 -0.521 1.00 41.04 H new ATOM 0 HE3 LYS A 55 11.199 4.292 -1.745 1.00 41.04 H new ATOM 0 HZ1 LYS A 55 11.594 6.586 -2.166 1.00 1.04 H new ATOM 0 HZ2 LYS A 55 10.564 6.010 -3.388 1.00 1.04 H new ATOM 0 HZ3 LYS A 55 9.937 6.954 -2.124 1.00 1.04 H new ATOM 886 N LYS A 56 4.595 6.693 -3.520 1.00 64.21 N ATOM 887 CA LYS A 56 4.452 7.869 -4.406 1.00 1.21 C ATOM 888 C LYS A 56 3.425 8.866 -3.839 1.00 11.32 C ATOM 889 O LYS A 56 3.624 10.086 -3.902 1.00 3.21 O ATOM 890 CB LYS A 56 4.030 7.391 -5.816 1.00 71.42 C ATOM 891 CG LYS A 56 3.901 8.505 -6.884 1.00 43.41 C ATOM 892 CD LYS A 56 3.492 7.949 -8.263 1.00 32.42 C ATOM 893 CE LYS A 56 2.111 7.262 -8.257 1.00 25.44 C ATOM 894 NZ LYS A 56 1.014 8.215 -7.939 1.00 11.02 N ATOM 0 H LYS A 56 4.187 5.843 -3.909 1.00 64.21 H new ATOM 0 HA LYS A 56 5.409 8.387 -4.470 1.00 1.21 H new ATOM 0 HB2 LYS A 56 4.758 6.658 -6.166 1.00 71.42 H new ATOM 0 HB3 LYS A 56 3.073 6.876 -5.735 1.00 71.42 H new ATOM 0 HG2 LYS A 56 3.162 9.236 -6.556 1.00 43.41 H new ATOM 0 HG3 LYS A 56 4.852 9.031 -6.974 1.00 43.41 H new ATOM 0 HD2 LYS A 56 3.482 8.763 -8.987 1.00 32.42 H new ATOM 0 HD3 LYS A 56 4.244 7.235 -8.597 1.00 32.42 H new ATOM 0 HE2 LYS A 56 1.927 6.810 -9.232 1.00 25.44 H new ATOM 0 HE3 LYS A 56 2.112 6.454 -7.526 1.00 25.44 H new ATOM 0 HZ1 LYS A 56 0.098 7.727 -8.012 1.00 11.02 H new ATOM 0 HZ2 LYS A 56 1.138 8.576 -6.972 1.00 11.02 H new ATOM 0 HZ3 LYS A 56 1.038 9.009 -8.611 1.00 11.02 H new ATOM 908 N VAL A 57 2.335 8.322 -3.273 1.00 63.33 N ATOM 909 CA VAL A 57 1.284 9.117 -2.620 1.00 55.23 C ATOM 910 C VAL A 57 1.844 9.722 -1.309 1.00 74.41 C ATOM 911 O VAL A 57 1.582 10.881 -0.999 1.00 22.02 O ATOM 912 CB VAL A 57 -0.004 8.250 -2.343 1.00 0.34 C ATOM 913 CG1 VAL A 57 -1.122 9.096 -1.716 1.00 21.24 C ATOM 914 CG2 VAL A 57 -0.517 7.574 -3.636 1.00 61.22 C ATOM 0 H VAL A 57 2.158 7.318 -3.256 1.00 63.33 H new ATOM 0 HA VAL A 57 0.984 9.925 -3.288 1.00 55.23 H new ATOM 0 HB VAL A 57 0.281 7.472 -1.635 1.00 0.34 H new ATOM 0 HG11 VAL A 57 -1.996 8.469 -1.537 1.00 21.24 H new ATOM 0 HG12 VAL A 57 -0.776 9.514 -0.771 1.00 21.24 H new ATOM 0 HG13 VAL A 57 -1.389 9.906 -2.394 1.00 21.24 H new ATOM 0 HG21 VAL A 57 -1.405 6.984 -3.410 1.00 61.22 H new ATOM 0 HG22 VAL A 57 -0.766 8.338 -4.372 1.00 61.22 H new ATOM 0 HG23 VAL A 57 0.259 6.922 -4.038 1.00 61.22 H new ATOM 924 N PHE A 58 2.668 8.925 -0.592 1.00 73.22 N ATOM 925 CA PHE A 58 3.391 9.370 0.624 1.00 13.12 C ATOM 926 C PHE A 58 4.462 10.425 0.295 1.00 74.22 C ATOM 927 O PHE A 58 4.780 11.262 1.137 1.00 23.30 O ATOM 928 CB PHE A 58 4.055 8.172 1.360 1.00 24.43 C ATOM 929 CG PHE A 58 3.103 7.269 2.143 1.00 65.34 C ATOM 930 CD1 PHE A 58 2.203 7.810 3.064 1.00 33.14 C ATOM 931 CD2 PHE A 58 3.136 5.881 1.996 1.00 61.40 C ATOM 932 CE1 PHE A 58 1.383 6.991 3.811 1.00 51.32 C ATOM 933 CE2 PHE A 58 2.324 5.064 2.750 1.00 75.45 C ATOM 934 CZ PHE A 58 1.448 5.620 3.651 1.00 40.40 C ATOM 0 H PHE A 58 2.852 7.953 -0.840 1.00 73.22 H new ATOM 0 HA PHE A 58 2.647 9.821 1.280 1.00 13.12 H new ATOM 0 HB2 PHE A 58 4.582 7.564 0.625 1.00 24.43 H new ATOM 0 HB3 PHE A 58 4.805 8.562 2.048 1.00 24.43 H new ATOM 0 HD1 PHE A 58 2.149 8.881 3.192 1.00 33.14 H new ATOM 0 HD2 PHE A 58 3.811 5.440 1.277 1.00 61.40 H new ATOM 0 HE1 PHE A 58 0.691 7.420 4.520 1.00 51.32 H new ATOM 0 HE2 PHE A 58 2.375 3.991 2.634 1.00 75.45 H new ATOM 0 HZ PHE A 58 0.806 4.981 4.238 1.00 40.40 H new ATOM 944 N ASP A 59 5.028 10.352 -0.923 1.00 22.45 N ATOM 945 CA ASP A 59 5.995 11.349 -1.425 1.00 12.30 C ATOM 946 C ASP A 59 5.276 12.681 -1.637 1.00 52.24 C ATOM 947 O ASP A 59 5.819 13.738 -1.324 1.00 33.40 O ATOM 948 CB ASP A 59 6.647 10.869 -2.753 1.00 1.35 C ATOM 949 CG ASP A 59 7.794 11.787 -3.243 1.00 34.04 C ATOM 950 OD1 ASP A 59 7.525 12.833 -3.886 1.00 31.30 O ATOM 951 OD2 ASP A 59 8.972 11.469 -2.981 1.00 62.11 O ATOM 0 H ASP A 59 4.830 9.603 -1.587 1.00 22.45 H new ATOM 0 HA ASP A 59 6.790 11.475 -0.690 1.00 12.30 H new ATOM 0 HB2 ASP A 59 7.034 9.859 -2.615 1.00 1.35 H new ATOM 0 HB3 ASP A 59 5.881 10.814 -3.526 1.00 1.35 H new ATOM 956 N ALA A 60 4.037 12.603 -2.166 1.00 23.31 N ATOM 957 CA ALA A 60 3.161 13.771 -2.348 1.00 34.22 C ATOM 958 C ALA A 60 2.824 14.415 -0.988 1.00 13.52 C ATOM 959 O ALA A 60 2.803 15.643 -0.858 1.00 21.33 O ATOM 960 CB ALA A 60 1.879 13.363 -3.095 1.00 62.21 C ATOM 0 H ALA A 60 3.619 11.726 -2.478 1.00 23.31 H new ATOM 0 HA ALA A 60 3.688 14.512 -2.949 1.00 34.22 H new ATOM 0 HB1 ALA A 60 1.239 14.236 -3.223 1.00 62.21 H new ATOM 0 HB2 ALA A 60 2.141 12.958 -4.073 1.00 62.21 H new ATOM 0 HB3 ALA A 60 1.348 12.605 -2.519 1.00 62.21 H new ATOM 966 N GLU A 61 2.613 13.557 0.027 1.00 4.42 N ATOM 967 CA GLU A 61 2.345 13.989 1.414 1.00 64.21 C ATOM 968 C GLU A 61 3.616 14.445 2.126 1.00 74.53 C ATOM 969 O GLU A 61 3.543 15.106 3.167 1.00 25.00 O ATOM 970 CB GLU A 61 1.726 12.810 2.214 1.00 20.40 C ATOM 971 CG GLU A 61 0.448 12.244 1.600 1.00 51.23 C ATOM 972 CD GLU A 61 -0.642 13.310 1.398 1.00 4.00 C ATOM 973 OE1 GLU A 61 -1.425 13.552 2.335 1.00 61.13 O ATOM 974 OE2 GLU A 61 -0.720 13.911 0.308 1.00 44.20 O ATOM 0 H GLU A 61 2.623 12.544 -0.090 1.00 4.42 H new ATOM 0 HA GLU A 61 1.656 14.832 1.366 1.00 64.21 H new ATOM 0 HB2 GLU A 61 2.463 12.011 2.292 1.00 20.40 H new ATOM 0 HB3 GLU A 61 1.511 13.146 3.228 1.00 20.40 H new ATOM 0 HG2 GLU A 61 0.684 11.787 0.639 1.00 51.23 H new ATOM 0 HG3 GLU A 61 0.061 11.453 2.243 1.00 51.23 H new ATOM 981 N HIS A 62 4.777 14.072 1.544 1.00 45.43 N ATOM 982 CA HIS A 62 6.110 14.288 2.127 1.00 5.35 C ATOM 983 C HIS A 62 6.226 13.549 3.484 1.00 31.34 C ATOM 984 O HIS A 62 7.015 13.937 4.347 1.00 10.42 O ATOM 985 CB HIS A 62 6.436 15.807 2.245 1.00 0.23 C ATOM 986 CG HIS A 62 6.113 16.605 1.005 1.00 32.33 C ATOM 987 ND1 HIS A 62 5.242 17.675 1.008 1.00 33.43 N ATOM 988 CD2 HIS A 62 6.520 16.469 -0.278 1.00 14.42 C ATOM 989 CE1 HIS A 62 5.130 18.151 -0.212 1.00 20.30 C ATOM 990 NE2 HIS A 62 5.890 17.439 -1.013 1.00 3.10 N ATOM 0 H HIS A 62 4.809 13.604 0.638 1.00 45.43 H new ATOM 0 HA HIS A 62 6.860 13.865 1.458 1.00 5.35 H new ATOM 0 HB2 HIS A 62 5.881 16.222 3.086 1.00 0.23 H new ATOM 0 HB3 HIS A 62 7.495 15.924 2.473 1.00 0.23 H new ATOM 0 HD2 HIS A 62 7.214 15.732 -0.654 1.00 14.42 H new ATOM 0 HE1 HIS A 62 4.515 18.988 -0.507 1.00 20.30 H new ATOM 0 HE2 HIS A 62 5.994 17.584 -2.017 1.00 3.10 H new ATOM 999 N ASP A 63 5.434 12.464 3.625 1.00 10.14 N ATOM 1000 CA ASP A 63 5.446 11.579 4.792 1.00 61.15 C ATOM 1001 C ASP A 63 6.588 10.570 4.632 1.00 2.44 C ATOM 1002 O ASP A 63 6.491 9.617 3.845 1.00 41.44 O ATOM 1003 CB ASP A 63 4.076 10.857 4.961 1.00 62.42 C ATOM 1004 CG ASP A 63 4.079 9.775 6.070 1.00 32.30 C ATOM 1005 OD1 ASP A 63 4.463 10.083 7.220 1.00 55.23 O ATOM 1006 OD2 ASP A 63 3.709 8.623 5.803 1.00 63.13 O ATOM 0 H ASP A 63 4.760 12.181 2.914 1.00 10.14 H new ATOM 0 HA ASP A 63 5.608 12.168 5.694 1.00 61.15 H new ATOM 0 HB2 ASP A 63 3.310 11.598 5.190 1.00 62.42 H new ATOM 0 HB3 ASP A 63 3.799 10.394 4.014 1.00 62.42 H new ATOM 1011 N THR A 64 7.695 10.841 5.337 1.00 30.13 N ATOM 1012 CA THR A 64 8.911 10.013 5.287 1.00 54.44 C ATOM 1013 C THR A 64 8.687 8.617 5.896 1.00 65.01 C ATOM 1014 O THR A 64 9.329 7.654 5.472 1.00 41.12 O ATOM 1015 CB THR A 64 10.118 10.715 5.993 1.00 24.54 C ATOM 1016 OG1 THR A 64 11.315 9.934 5.820 1.00 63.04 O ATOM 1017 CG2 THR A 64 9.878 10.941 7.499 1.00 25.34 C ATOM 0 H THR A 64 7.774 11.644 5.961 1.00 30.13 H new ATOM 0 HA THR A 64 9.151 9.888 4.231 1.00 54.44 H new ATOM 0 HB THR A 64 10.229 11.693 5.524 1.00 24.54 H new ATOM 0 HG1 THR A 64 12.065 10.382 6.264 1.00 63.04 H new ATOM 0 HG21 THR A 64 10.748 11.431 7.937 1.00 25.34 H new ATOM 0 HG22 THR A 64 8.999 11.571 7.637 1.00 25.34 H new ATOM 0 HG23 THR A 64 9.717 9.981 7.990 1.00 25.34 H new ATOM 1025 N ASP A 65 7.764 8.527 6.878 1.00 41.23 N ATOM 1026 CA ASP A 65 7.470 7.277 7.596 1.00 62.32 C ATOM 1027 C ASP A 65 6.949 6.206 6.629 1.00 62.43 C ATOM 1028 O ASP A 65 7.586 5.161 6.453 1.00 60.20 O ATOM 1029 CB ASP A 65 6.445 7.542 8.735 1.00 53.41 C ATOM 1030 CG ASP A 65 5.917 6.251 9.398 1.00 34.55 C ATOM 1031 OD1 ASP A 65 6.683 5.593 10.131 1.00 33.45 O ATOM 1032 OD2 ASP A 65 4.741 5.886 9.179 1.00 10.24 O ATOM 0 H ASP A 65 7.205 9.320 7.192 1.00 41.23 H new ATOM 0 HA ASP A 65 8.393 6.905 8.042 1.00 62.32 H new ATOM 0 HB2 ASP A 65 6.912 8.167 9.496 1.00 53.41 H new ATOM 0 HB3 ASP A 65 5.603 8.105 8.332 1.00 53.41 H new ATOM 1037 N GLY A 66 5.830 6.528 5.965 1.00 64.34 N ATOM 1038 CA GLY A 66 5.142 5.604 5.081 1.00 52.12 C ATOM 1039 C GLY A 66 5.889 5.337 3.789 1.00 23.21 C ATOM 1040 O GLY A 66 5.780 4.241 3.227 1.00 61.03 O ATOM 0 H GLY A 66 5.383 7.442 6.033 1.00 64.34 H new ATOM 0 HA2 GLY A 66 4.987 4.660 5.604 1.00 52.12 H new ATOM 0 HA3 GLY A 66 4.156 6.004 4.846 1.00 52.12 H new ATOM 1044 N ALA A 67 6.626 6.349 3.292 1.00 65.23 N ATOM 1045 CA ALA A 67 7.447 6.209 2.077 1.00 3.35 C ATOM 1046 C ALA A 67 8.562 5.165 2.297 1.00 20.03 C ATOM 1047 O ALA A 67 8.802 4.307 1.441 1.00 13.51 O ATOM 1048 CB ALA A 67 8.028 7.567 1.664 1.00 74.13 C ATOM 0 H ALA A 67 6.668 7.276 3.716 1.00 65.23 H new ATOM 0 HA ALA A 67 6.813 5.855 1.264 1.00 3.35 H new ATOM 0 HB1 ALA A 67 8.632 7.446 0.765 1.00 74.13 H new ATOM 0 HB2 ALA A 67 7.215 8.265 1.464 1.00 74.13 H new ATOM 0 HB3 ALA A 67 8.651 7.957 2.469 1.00 74.13 H new ATOM 1054 N ARG A 68 9.208 5.236 3.474 1.00 34.32 N ATOM 1055 CA ARG A 68 10.256 4.279 3.887 1.00 60.40 C ATOM 1056 C ARG A 68 9.648 2.908 4.256 1.00 71.21 C ATOM 1057 O ARG A 68 10.309 1.886 4.098 1.00 21.44 O ATOM 1058 CB ARG A 68 11.087 4.840 5.065 1.00 51.12 C ATOM 1059 CG ARG A 68 11.981 6.048 4.711 1.00 32.24 C ATOM 1060 CD ARG A 68 12.830 6.512 5.911 1.00 13.02 C ATOM 1061 NE ARG A 68 13.686 5.428 6.440 1.00 53.14 N ATOM 1062 CZ ARG A 68 15.021 5.481 6.589 1.00 43.01 C ATOM 1063 NH1 ARG A 68 15.723 6.570 6.261 1.00 60.30 N ATOM 1064 NH2 ARG A 68 15.660 4.420 7.077 1.00 43.52 N ATOM 0 H ARG A 68 9.020 5.959 4.169 1.00 34.32 H new ATOM 0 HA ARG A 68 10.923 4.135 3.037 1.00 60.40 H new ATOM 0 HB2 ARG A 68 10.406 5.132 5.865 1.00 51.12 H new ATOM 0 HB3 ARG A 68 11.717 4.043 5.458 1.00 51.12 H new ATOM 0 HG2 ARG A 68 12.639 5.782 3.884 1.00 32.24 H new ATOM 0 HG3 ARG A 68 11.356 6.873 4.369 1.00 32.24 H new ATOM 0 HD2 ARG A 68 13.455 7.352 5.609 1.00 13.02 H new ATOM 0 HD3 ARG A 68 12.172 6.873 6.702 1.00 13.02 H new ATOM 0 HE ARG A 68 13.222 4.563 6.716 1.00 53.14 H new ATOM 0 HH11 ARG A 68 15.246 7.390 5.886 1.00 60.30 H new ATOM 0 HH12 ARG A 68 16.735 6.581 6.385 1.00 60.30 H new ATOM 0 HH21 ARG A 68 15.137 3.582 7.332 1.00 43.52 H new ATOM 0 HH22 ARG A 68 16.673 4.445 7.196 1.00 43.52 H new ATOM 1078 N ARG A 69 8.395 2.911 4.769 1.00 64.20 N ATOM 1079 CA ARG A 69 7.622 1.676 5.056 1.00 22.21 C ATOM 1080 C ARG A 69 7.416 0.860 3.769 1.00 55.34 C ATOM 1081 O ARG A 69 7.631 -0.357 3.748 1.00 21.23 O ATOM 1082 CB ARG A 69 6.229 2.018 5.671 1.00 3.32 C ATOM 1083 CG ARG A 69 6.227 2.367 7.169 1.00 35.25 C ATOM 1084 CD ARG A 69 6.616 1.172 8.059 1.00 12.23 C ATOM 1085 NE ARG A 69 6.468 1.499 9.489 1.00 41.53 N ATOM 1086 CZ ARG A 69 5.709 0.825 10.364 1.00 12.21 C ATOM 1087 NH1 ARG A 69 5.009 -0.239 9.990 1.00 41.24 N ATOM 1088 NH2 ARG A 69 5.649 1.228 11.619 1.00 53.22 N ATOM 0 H ARG A 69 7.891 3.768 4.996 1.00 64.20 H new ATOM 0 HA ARG A 69 8.194 1.088 5.775 1.00 22.21 H new ATOM 0 HB2 ARG A 69 5.806 2.859 5.121 1.00 3.32 H new ATOM 0 HB3 ARG A 69 5.565 1.168 5.514 1.00 3.32 H new ATOM 0 HG2 ARG A 69 6.921 3.188 7.347 1.00 35.25 H new ATOM 0 HG3 ARG A 69 5.236 2.720 7.454 1.00 35.25 H new ATOM 0 HD2 ARG A 69 5.990 0.314 7.813 1.00 12.23 H new ATOM 0 HD3 ARG A 69 7.647 0.884 7.854 1.00 12.23 H new ATOM 0 HE ARG A 69 6.986 2.304 9.841 1.00 41.53 H new ATOM 0 HH11 ARG A 69 5.043 -0.557 9.021 1.00 41.24 H new ATOM 0 HH12 ARG A 69 4.437 -0.739 10.671 1.00 41.24 H new ATOM 0 HH21 ARG A 69 6.178 2.047 11.917 1.00 53.22 H new ATOM 0 HH22 ARG A 69 5.073 0.720 12.291 1.00 53.22 H new ATOM 1102 N ALA A 70 6.968 1.566 2.716 1.00 63.14 N ATOM 1103 CA ALA A 70 6.680 0.981 1.404 1.00 21.52 C ATOM 1104 C ALA A 70 7.979 0.568 0.699 1.00 54.02 C ATOM 1105 O ALA A 70 7.998 -0.442 0.012 1.00 73.52 O ATOM 1106 CB ALA A 70 5.865 1.969 0.564 1.00 51.41 C ATOM 0 H ALA A 70 6.795 2.570 2.757 1.00 63.14 H new ATOM 0 HA ALA A 70 6.084 0.077 1.535 1.00 21.52 H new ATOM 0 HB1 ALA A 70 5.653 1.530 -0.411 1.00 51.41 H new ATOM 0 HB2 ALA A 70 4.927 2.192 1.073 1.00 51.41 H new ATOM 0 HB3 ALA A 70 6.434 2.889 0.431 1.00 51.41 H new ATOM 1112 N ALA A 71 9.064 1.346 0.914 1.00 15.22 N ATOM 1113 CA ALA A 71 10.409 1.045 0.369 1.00 63.33 C ATOM 1114 C ALA A 71 11.008 -0.233 1.000 1.00 31.42 C ATOM 1115 O ALA A 71 11.633 -1.047 0.307 1.00 30.45 O ATOM 1116 CB ALA A 71 11.350 2.233 0.603 1.00 45.44 C ATOM 0 H ALA A 71 9.033 2.200 1.470 1.00 15.22 H new ATOM 0 HA ALA A 71 10.301 0.871 -0.702 1.00 63.33 H new ATOM 0 HB1 ALA A 71 12.336 2.002 0.199 1.00 45.44 H new ATOM 0 HB2 ALA A 71 10.952 3.116 0.104 1.00 45.44 H new ATOM 0 HB3 ALA A 71 11.433 2.427 1.672 1.00 45.44 H new ATOM 1122 N LYS A 72 10.812 -0.370 2.328 1.00 31.55 N ATOM 1123 CA LYS A 72 11.286 -1.520 3.129 1.00 0.22 C ATOM 1124 C LYS A 72 10.524 -2.780 2.705 1.00 4.35 C ATOM 1125 O LYS A 72 11.129 -3.815 2.424 1.00 52.02 O ATOM 1126 CB LYS A 72 11.088 -1.205 4.658 1.00 52.22 C ATOM 1127 CG LYS A 72 11.687 -2.223 5.689 1.00 3.32 C ATOM 1128 CD LYS A 72 10.790 -3.463 5.956 1.00 41.22 C ATOM 1129 CE LYS A 72 11.408 -4.452 6.964 1.00 34.12 C ATOM 1130 NZ LYS A 72 12.777 -4.883 6.561 1.00 35.34 N ATOM 0 H LYS A 72 10.313 0.325 2.883 1.00 31.55 H new ATOM 0 HA LYS A 72 12.348 -1.695 2.956 1.00 0.22 H new ATOM 0 HB2 LYS A 72 11.524 -0.226 4.859 1.00 52.22 H new ATOM 0 HB3 LYS A 72 10.018 -1.123 4.849 1.00 52.22 H new ATOM 0 HG2 LYS A 72 12.657 -2.562 5.326 1.00 3.32 H new ATOM 0 HG3 LYS A 72 11.863 -1.706 6.632 1.00 3.32 H new ATOM 0 HD2 LYS A 72 9.822 -3.130 6.330 1.00 41.22 H new ATOM 0 HD3 LYS A 72 10.607 -3.981 5.014 1.00 41.22 H new ATOM 0 HE2 LYS A 72 11.450 -3.986 7.948 1.00 34.12 H new ATOM 0 HE3 LYS A 72 10.765 -5.327 7.053 1.00 34.12 H new ATOM 0 HZ1 LYS A 72 12.973 -5.826 6.952 1.00 35.34 H new ATOM 0 HZ2 LYS A 72 12.838 -4.919 5.523 1.00 35.34 H new ATOM 0 HZ3 LYS A 72 13.476 -4.205 6.926 1.00 35.34 H new ATOM 1144 N SER A 73 9.186 -2.646 2.632 1.00 74.11 N ATOM 1145 CA SER A 73 8.275 -3.755 2.310 1.00 24.54 C ATOM 1146 C SER A 73 8.445 -4.198 0.840 1.00 20.53 C ATOM 1147 O SER A 73 8.231 -5.369 0.514 1.00 22.13 O ATOM 1148 CB SER A 73 6.815 -3.345 2.619 1.00 14.34 C ATOM 1149 OG SER A 73 5.964 -4.474 2.687 1.00 11.31 O ATOM 0 H SER A 73 8.707 -1.760 2.796 1.00 74.11 H new ATOM 0 HA SER A 73 8.526 -4.613 2.934 1.00 24.54 H new ATOM 0 HB2 SER A 73 6.780 -2.804 3.565 1.00 14.34 H new ATOM 0 HB3 SER A 73 6.456 -2.663 1.848 1.00 14.34 H new ATOM 0 HG SER A 73 5.399 -4.507 1.887 1.00 11.31 H new ATOM 1155 N LEU A 74 8.829 -3.232 -0.032 1.00 3.13 N ATOM 1156 CA LEU A 74 9.265 -3.499 -1.420 1.00 11.40 C ATOM 1157 C LEU A 74 10.555 -4.319 -1.434 1.00 12.40 C ATOM 1158 O LEU A 74 10.663 -5.276 -2.190 1.00 74.11 O ATOM 1159 CB LEU A 74 9.479 -2.173 -2.220 1.00 24.12 C ATOM 1160 CG LEU A 74 8.218 -1.596 -2.919 1.00 54.22 C ATOM 1161 CD1 LEU A 74 8.439 -0.163 -3.437 1.00 53.24 C ATOM 1162 CD2 LEU A 74 7.749 -2.527 -4.049 1.00 61.20 C ATOM 0 H LEU A 74 8.844 -2.242 0.212 1.00 3.13 H new ATOM 0 HA LEU A 74 8.471 -4.069 -1.903 1.00 11.40 H new ATOM 0 HB2 LEU A 74 9.871 -1.418 -1.538 1.00 24.12 H new ATOM 0 HB3 LEU A 74 10.244 -2.347 -2.977 1.00 24.12 H new ATOM 0 HG LEU A 74 7.431 -1.540 -2.167 1.00 54.22 H new ATOM 0 HD11 LEU A 74 7.528 0.195 -3.917 1.00 53.24 H new ATOM 0 HD12 LEU A 74 8.690 0.491 -2.602 1.00 53.24 H new ATOM 0 HD13 LEU A 74 9.256 -0.159 -4.159 1.00 53.24 H new ATOM 0 HD21 LEU A 74 6.865 -2.104 -4.525 1.00 61.20 H new ATOM 0 HD22 LEU A 74 8.544 -2.632 -4.787 1.00 61.20 H new ATOM 0 HD23 LEU A 74 7.506 -3.506 -3.636 1.00 61.20 H new ATOM 1174 N SER A 75 11.530 -3.930 -0.592 1.00 33.23 N ATOM 1175 CA SER A 75 12.828 -4.617 -0.510 1.00 74.45 C ATOM 1176 C SER A 75 12.628 -6.095 -0.118 1.00 4.54 C ATOM 1177 O SER A 75 13.275 -6.976 -0.683 1.00 64.31 O ATOM 1178 CB SER A 75 13.773 -3.888 0.473 1.00 31.55 C ATOM 1179 OG SER A 75 15.080 -4.455 0.465 1.00 23.41 O ATOM 0 H SER A 75 11.440 -3.138 0.044 1.00 33.23 H new ATOM 0 HA SER A 75 13.300 -4.594 -1.492 1.00 74.45 H new ATOM 0 HB2 SER A 75 13.832 -2.833 0.206 1.00 31.55 H new ATOM 0 HB3 SER A 75 13.360 -3.939 1.480 1.00 31.55 H new ATOM 0 HG SER A 75 15.651 -3.969 1.096 1.00 23.41 H new ATOM 1185 N GLU A 76 11.677 -6.346 0.809 1.00 41.34 N ATOM 1186 CA GLU A 76 11.307 -7.713 1.232 1.00 24.23 C ATOM 1187 C GLU A 76 10.567 -8.438 0.093 1.00 5.15 C ATOM 1188 O GLU A 76 10.773 -9.635 -0.131 1.00 13.31 O ATOM 1189 CB GLU A 76 10.420 -7.685 2.509 1.00 31.43 C ATOM 1190 CG GLU A 76 10.941 -6.779 3.647 1.00 12.21 C ATOM 1191 CD GLU A 76 12.428 -6.979 3.986 1.00 12.43 C ATOM 1192 OE1 GLU A 76 12.791 -8.048 4.518 1.00 42.53 O ATOM 1193 OE2 GLU A 76 13.242 -6.059 3.745 1.00 10.01 O ATOM 0 H GLU A 76 11.149 -5.612 1.281 1.00 41.34 H new ATOM 0 HA GLU A 76 12.224 -8.254 1.467 1.00 24.23 H new ATOM 0 HB2 GLU A 76 9.419 -7.354 2.231 1.00 31.43 H new ATOM 0 HB3 GLU A 76 10.325 -8.702 2.889 1.00 31.43 H new ATOM 0 HG2 GLU A 76 10.781 -5.737 3.368 1.00 12.21 H new ATOM 0 HG3 GLU A 76 10.348 -6.964 4.543 1.00 12.21 H new ATOM 1200 N ALA A 77 9.722 -7.675 -0.634 1.00 74.35 N ATOM 1201 CA ALA A 77 8.912 -8.183 -1.749 1.00 64.24 C ATOM 1202 C ALA A 77 9.802 -8.746 -2.874 1.00 50.24 C ATOM 1203 O ALA A 77 9.590 -9.870 -3.323 1.00 14.35 O ATOM 1204 CB ALA A 77 7.986 -7.079 -2.282 1.00 61.32 C ATOM 0 H ALA A 77 9.586 -6.680 -0.457 1.00 74.35 H new ATOM 0 HA ALA A 77 8.296 -9.002 -1.377 1.00 64.24 H new ATOM 0 HB1 ALA A 77 7.392 -7.470 -3.108 1.00 61.32 H new ATOM 0 HB2 ALA A 77 7.323 -6.744 -1.485 1.00 61.32 H new ATOM 0 HB3 ALA A 77 8.586 -6.239 -2.632 1.00 61.32 H new ATOM 1210 N TYR A 78 10.823 -7.965 -3.276 1.00 15.00 N ATOM 1211 CA TYR A 78 11.764 -8.350 -4.345 1.00 21.12 C ATOM 1212 C TYR A 78 12.705 -9.492 -3.896 1.00 64.50 C ATOM 1213 O TYR A 78 13.202 -10.231 -4.735 1.00 32.43 O ATOM 1214 CB TYR A 78 12.596 -7.131 -4.813 1.00 44.10 C ATOM 1215 CG TYR A 78 11.795 -6.025 -5.523 1.00 20.11 C ATOM 1216 CD1 TYR A 78 11.207 -6.240 -6.773 1.00 23.25 C ATOM 1217 CD2 TYR A 78 11.628 -4.766 -4.941 1.00 60.11 C ATOM 1218 CE1 TYR A 78 10.487 -5.239 -7.402 1.00 70.42 C ATOM 1219 CE2 TYR A 78 10.909 -3.773 -5.562 1.00 73.10 C ATOM 1220 CZ TYR A 78 10.340 -4.008 -6.788 1.00 4.35 C ATOM 1221 OH TYR A 78 9.617 -3.009 -7.403 1.00 32.43 O ATOM 0 H TYR A 78 11.018 -7.050 -2.869 1.00 15.00 H new ATOM 0 HA TYR A 78 11.168 -8.714 -5.182 1.00 21.12 H new ATOM 0 HB2 TYR A 78 13.094 -6.697 -3.946 1.00 44.10 H new ATOM 0 HB3 TYR A 78 13.377 -7.482 -5.487 1.00 44.10 H new ATOM 0 HD1 TYR A 78 11.316 -7.201 -7.255 1.00 23.25 H new ATOM 0 HD2 TYR A 78 12.075 -4.568 -3.978 1.00 60.11 H new ATOM 0 HE1 TYR A 78 10.041 -5.418 -8.369 1.00 70.42 H new ATOM 0 HE2 TYR A 78 10.792 -2.810 -5.086 1.00 73.10 H new ATOM 0 HH TYR A 78 9.613 -2.211 -6.834 1.00 32.43 H new ATOM 1231 N GLN A 79 12.954 -9.615 -2.571 1.00 22.32 N ATOM 1232 CA GLN A 79 13.735 -10.749 -2.001 1.00 13.25 C ATOM 1233 C GLN A 79 12.950 -12.076 -2.118 1.00 62.23 C ATOM 1234 O GLN A 79 13.551 -13.150 -2.184 1.00 72.32 O ATOM 1235 CB GLN A 79 14.123 -10.478 -0.513 1.00 53.20 C ATOM 1236 CG GLN A 79 15.210 -9.401 -0.316 1.00 34.04 C ATOM 1237 CD GLN A 79 15.519 -9.120 1.161 1.00 3.33 C ATOM 1238 OE1 GLN A 79 14.787 -8.192 1.772 1.00 70.45 O flip ATOM 1239 NE2 GLN A 79 16.403 -9.745 1.755 1.00 4.10 N flip ATOM 0 H GLN A 79 12.628 -8.946 -1.874 1.00 22.32 H new ATOM 0 HA GLN A 79 14.653 -10.838 -2.581 1.00 13.25 H new ATOM 0 HB2 GLN A 79 13.229 -10.176 0.032 1.00 53.20 H new ATOM 0 HB3 GLN A 79 14.469 -11.410 -0.066 1.00 53.20 H new ATOM 0 HG2 GLN A 79 16.124 -9.720 -0.818 1.00 34.04 H new ATOM 0 HG3 GLN A 79 14.888 -8.477 -0.796 1.00 34.04 H new ATOM 0 HE21 GLN A 79 16.948 -10.451 1.261 1.00 4.10 H new ATOM 0 HE22 GLN A 79 16.588 -9.555 2.740 1.00 4.10 H new ATOM 1248 N LYS A 80 11.602 -11.983 -2.117 1.00 3.51 N ATOM 1249 CA LYS A 80 10.707 -13.151 -2.282 1.00 54.30 C ATOM 1250 C LYS A 80 10.558 -13.523 -3.772 1.00 45.25 C ATOM 1251 O LYS A 80 10.632 -14.702 -4.140 1.00 3.33 O ATOM 1252 CB LYS A 80 9.311 -12.850 -1.666 1.00 2.12 C ATOM 1253 CG LYS A 80 9.321 -12.605 -0.139 1.00 15.42 C ATOM 1254 CD LYS A 80 7.900 -12.382 0.429 1.00 31.10 C ATOM 1255 CE LYS A 80 7.880 -12.213 1.955 1.00 40.12 C ATOM 1256 NZ LYS A 80 6.488 -12.099 2.475 1.00 10.51 N ATOM 0 H LYS A 80 11.105 -11.100 -2.002 1.00 3.51 H new ATOM 0 HA LYS A 80 11.152 -13.997 -1.759 1.00 54.30 H new ATOM 0 HB2 LYS A 80 8.892 -11.973 -2.159 1.00 2.12 H new ATOM 0 HB3 LYS A 80 8.645 -13.685 -1.882 1.00 2.12 H new ATOM 0 HG2 LYS A 80 9.780 -13.458 0.361 1.00 15.42 H new ATOM 0 HG3 LYS A 80 9.939 -11.735 0.083 1.00 15.42 H new ATOM 0 HD2 LYS A 80 7.465 -11.496 -0.034 1.00 31.10 H new ATOM 0 HD3 LYS A 80 7.269 -13.227 0.155 1.00 31.10 H new ATOM 0 HE2 LYS A 80 8.375 -13.064 2.423 1.00 40.12 H new ATOM 0 HE3 LYS A 80 8.446 -11.323 2.231 1.00 40.12 H new ATOM 0 HZ1 LYS A 80 6.510 -11.737 3.450 1.00 10.51 H new ATOM 0 HZ2 LYS A 80 5.946 -11.445 1.875 1.00 10.51 H new ATOM 0 HZ3 LYS A 80 6.035 -13.035 2.464 1.00 10.51 H new ATOM 1270 N VAL A 81 10.354 -12.489 -4.616 1.00 52.13 N ATOM 1271 CA VAL A 81 10.162 -12.635 -6.078 1.00 63.02 C ATOM 1272 C VAL A 81 11.443 -13.191 -6.740 1.00 71.32 C ATOM 1273 O VAL A 81 11.391 -14.102 -7.579 1.00 11.15 O ATOM 1274 CB VAL A 81 9.754 -11.243 -6.717 1.00 32.23 C ATOM 1275 CG1 VAL A 81 9.693 -11.289 -8.266 1.00 71.30 C ATOM 1276 CG2 VAL A 81 8.402 -10.757 -6.140 1.00 31.13 C ATOM 0 H VAL A 81 10.317 -11.520 -4.300 1.00 52.13 H new ATOM 0 HA VAL A 81 9.355 -13.345 -6.257 1.00 63.02 H new ATOM 0 HB VAL A 81 10.537 -10.533 -6.451 1.00 32.23 H new ATOM 0 HG11 VAL A 81 9.409 -10.309 -8.648 1.00 71.30 H new ATOM 0 HG12 VAL A 81 10.671 -11.563 -8.661 1.00 71.30 H new ATOM 0 HG13 VAL A 81 8.956 -12.028 -8.579 1.00 71.30 H new ATOM 0 HG21 VAL A 81 8.137 -9.800 -6.590 1.00 31.13 H new ATOM 0 HG22 VAL A 81 7.627 -11.490 -6.363 1.00 31.13 H new ATOM 0 HG23 VAL A 81 8.489 -10.639 -5.060 1.00 31.13 H new