USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 672 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 33 SER OG : rot 87:sc= 1.25 USER MOD Set 1.2: A 34 ASN : amide:sc= 1.82 K(o=3.1,f=-1.7) USER MOD Set 2.1: A 12 ASN : amide:sc= -5.48 K(o=-4.8,f=-6.5!) USER MOD Set 2.2: A 15 SER OG : rot -58:sc= 1.26 USER MOD Set 2.3: A 46 ASN : amide:sc= 1.38 K(o=-4.8,f=-6.5) USER MOD Set 2.4: A 78 LYS NZ :NH3+ 150:sc= -1.96! (180deg=-1.44!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0.396 K(o=0.4,f=-0.16) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.322 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= -0.0911 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -171:sc=-0.00226 (180deg=-0.0849) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.61) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.123 USER MOD Single : A 44 GLN : amide:sc= 0.495 K(o=0.5,f=-0.34) USER MOD Single : A 53 GLN : amide:sc= -0.125 X(o=-0.13,f=-0.0081) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.162 USER MOD Single : A 61 GLN : amide:sc= -0.393 X(o=-0.39,f=-0.045) USER MOD Single : A 64 GLN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.016 K(o=-0.016,f=-0.68) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 THR OG1 : rot -178:sc= -0.114 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.00901 USER MOD Single : A 81 ASN : amide:sc= 0.134 X(o=0.13,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0109) USER MOD ----------------------------------------------------------------- ATOM 42 N ASP A 4 9.461 9.690 -1.582 1.00 51.43 N ATOM 43 CA ASP A 4 9.351 8.300 -1.220 1.00 73.40 C ATOM 44 C ASP A 4 7.913 7.971 -0.882 1.00 32.21 C ATOM 45 O ASP A 4 7.462 8.033 0.265 1.00 11.22 O ATOM 46 CB ASP A 4 10.386 7.898 -0.182 1.00 21.33 C ATOM 47 CG ASP A 4 11.764 7.927 -0.826 1.00 53.04 C ATOM 48 OD1 ASP A 4 12.092 6.978 -1.560 1.00 52.12 O ATOM 49 OD2 ASP A 4 12.430 8.981 -0.703 1.00 4.33 O ATOM 0 HA ASP A 4 9.602 7.670 -2.074 1.00 73.40 H new ATOM 0 HB2 ASP A 4 10.352 8.580 0.668 1.00 21.33 H new ATOM 0 HB3 ASP A 4 10.169 6.901 0.200 1.00 21.33 H new ATOM 54 N THR A 5 7.197 7.646 -1.954 1.00 61.32 N ATOM 55 CA THR A 5 5.810 7.244 -1.952 1.00 2.32 C ATOM 56 C THR A 5 5.792 5.844 -2.540 1.00 41.03 C ATOM 57 O THR A 5 6.042 5.666 -3.738 1.00 60.32 O ATOM 58 CB THR A 5 4.956 8.217 -2.779 1.00 34.45 C ATOM 59 OG1 THR A 5 5.339 9.556 -2.537 1.00 44.22 O ATOM 60 CG2 THR A 5 3.473 8.063 -2.445 1.00 12.05 C ATOM 0 H THR A 5 7.597 7.659 -2.892 1.00 61.32 H new ATOM 0 HA THR A 5 5.385 7.255 -0.948 1.00 2.32 H new ATOM 0 HB THR A 5 5.119 7.976 -3.829 1.00 34.45 H new ATOM 0 HG1 THR A 5 4.783 10.158 -3.075 1.00 44.22 H new ATOM 0 HG21 THR A 5 2.891 8.763 -3.044 1.00 12.05 H new ATOM 0 HG22 THR A 5 3.154 7.044 -2.665 1.00 12.05 H new ATOM 0 HG23 THR A 5 3.315 8.272 -1.387 1.00 12.05 H new ATOM 68 N ILE A 6 5.542 4.845 -1.701 1.00 51.13 N ATOM 69 CA ILE A 6 5.095 3.564 -2.217 1.00 53.33 C ATOM 70 C ILE A 6 3.593 3.746 -2.445 1.00 41.34 C ATOM 71 O ILE A 6 2.915 4.448 -1.690 1.00 3.22 O ATOM 72 CB ILE A 6 5.471 2.409 -1.263 1.00 14.01 C ATOM 73 CG1 ILE A 6 6.992 2.410 -0.983 1.00 53.30 C ATOM 74 CG2 ILE A 6 5.004 1.061 -1.832 1.00 21.44 C ATOM 75 CD1 ILE A 6 7.453 1.247 -0.104 1.00 2.35 C ATOM 0 H ILE A 6 5.639 4.896 -0.687 1.00 51.13 H new ATOM 0 HA ILE A 6 5.582 3.277 -3.149 1.00 53.33 H new ATOM 0 HB ILE A 6 4.958 2.561 -0.313 1.00 14.01 H new ATOM 0 HG12 ILE A 6 7.528 2.372 -1.932 1.00 53.30 H new ATOM 0 HG13 ILE A 6 7.264 3.349 -0.501 1.00 53.30 H new ATOM 0 HG21 ILE A 6 5.279 0.261 -1.145 1.00 21.44 H new ATOM 0 HG22 ILE A 6 3.921 1.075 -1.958 1.00 21.44 H new ATOM 0 HG23 ILE A 6 5.480 0.889 -2.797 1.00 21.44 H new ATOM 0 HD11 ILE A 6 8.530 1.312 0.050 1.00 2.35 H new ATOM 0 HD12 ILE A 6 6.945 1.295 0.859 1.00 2.35 H new ATOM 0 HD13 ILE A 6 7.213 0.303 -0.594 1.00 2.35 H new ATOM 87 N ILE A 7 3.066 3.136 -3.494 1.00 72.41 N ATOM 88 CA ILE A 7 1.651 3.127 -3.815 1.00 61.31 C ATOM 89 C ILE A 7 1.273 1.655 -3.962 1.00 72.30 C ATOM 90 O ILE A 7 2.040 0.880 -4.535 1.00 52.34 O ATOM 91 CB ILE A 7 1.389 3.979 -5.080 1.00 40.40 C ATOM 92 CG1 ILE A 7 2.080 5.361 -4.950 1.00 40.13 C ATOM 93 CG2 ILE A 7 -0.119 4.120 -5.362 1.00 22.24 C ATOM 94 CD1 ILE A 7 1.719 6.377 -6.032 1.00 61.12 C ATOM 0 H ILE A 7 3.631 2.617 -4.166 1.00 72.41 H new ATOM 0 HA ILE A 7 1.029 3.581 -3.043 1.00 61.31 H new ATOM 0 HB ILE A 7 1.823 3.463 -5.937 1.00 40.40 H new ATOM 0 HG12 ILE A 7 1.827 5.785 -3.978 1.00 40.13 H new ATOM 0 HG13 ILE A 7 3.160 5.211 -4.961 1.00 40.13 H new ATOM 0 HG21 ILE A 7 -0.267 4.724 -6.257 1.00 22.24 H new ATOM 0 HG22 ILE A 7 -0.554 3.133 -5.515 1.00 22.24 H new ATOM 0 HG23 ILE A 7 -0.604 4.603 -4.514 1.00 22.24 H new ATOM 0 HD11 ILE A 7 2.255 7.309 -5.850 1.00 61.12 H new ATOM 0 HD12 ILE A 7 1.999 5.983 -7.009 1.00 61.12 H new ATOM 0 HD13 ILE A 7 0.646 6.566 -6.011 1.00 61.12 H new ATOM 106 N LEU A 8 0.117 1.266 -3.424 1.00 41.34 N ATOM 107 CA LEU A 8 -0.476 -0.044 -3.641 1.00 64.31 C ATOM 108 C LEU A 8 -1.595 0.111 -4.651 1.00 61.33 C ATOM 109 O LEU A 8 -2.191 1.180 -4.762 1.00 0.33 O ATOM 110 CB LEU A 8 -1.067 -0.634 -2.352 1.00 60.44 C ATOM 111 CG LEU A 8 -0.063 -0.894 -1.221 1.00 15.44 C ATOM 112 CD1 LEU A 8 -0.787 -1.677 -0.118 1.00 62.54 C ATOM 113 CD2 LEU A 8 1.186 -1.662 -1.667 1.00 42.41 C ATOM 0 H LEU A 8 -0.439 1.866 -2.815 1.00 41.34 H new ATOM 0 HA LEU A 8 0.304 -0.719 -3.992 1.00 64.31 H new ATOM 0 HB2 LEU A 8 -1.836 0.044 -1.982 1.00 60.44 H new ATOM 0 HB3 LEU A 8 -1.562 -1.574 -2.597 1.00 60.44 H new ATOM 0 HG LEU A 8 0.294 0.073 -0.866 1.00 15.44 H new ATOM 0 HD11 LEU A 8 -0.095 -1.876 0.701 1.00 62.54 H new ATOM 0 HD12 LEU A 8 -1.628 -1.091 0.252 1.00 62.54 H new ATOM 0 HD13 LEU A 8 -1.152 -2.621 -0.522 1.00 62.54 H new ATOM 0 HD21 LEU A 8 1.848 -1.807 -0.813 1.00 42.41 H new ATOM 0 HD22 LEU A 8 0.893 -2.632 -2.068 1.00 42.41 H new ATOM 0 HD23 LEU A 8 1.707 -1.093 -2.437 1.00 42.41 H new ATOM 125 N ARG A 9 -1.940 -0.980 -5.320 1.00 24.33 N ATOM 126 CA ARG A 9 -2.979 -1.080 -6.340 1.00 74.32 C ATOM 127 C ARG A 9 -3.815 -2.320 -6.062 1.00 52.44 C ATOM 128 O ARG A 9 -3.446 -3.129 -5.212 1.00 75.30 O ATOM 129 CB ARG A 9 -2.314 -1.268 -7.707 1.00 20.32 C ATOM 130 CG ARG A 9 -1.484 -0.106 -8.258 1.00 55.13 C ATOM 131 CD ARG A 9 -0.686 -0.587 -9.488 1.00 60.31 C ATOM 132 NE ARG A 9 -0.516 0.493 -10.460 1.00 42.40 N ATOM 133 CZ ARG A 9 -0.416 0.426 -11.788 1.00 43.43 C ATOM 134 NH1 ARG A 9 -0.359 -0.738 -12.434 1.00 20.31 N ATOM 135 NH2 ARG A 9 -0.370 1.562 -12.469 1.00 41.41 N ATOM 0 H ARG A 9 -1.475 -1.873 -5.157 1.00 24.33 H new ATOM 0 HA ARG A 9 -3.596 -0.181 -6.329 1.00 74.32 H new ATOM 0 HB2 ARG A 9 -1.668 -2.144 -7.648 1.00 20.32 H new ATOM 0 HB3 ARG A 9 -3.095 -1.496 -8.432 1.00 20.32 H new ATOM 0 HG2 ARG A 9 -2.136 0.723 -8.535 1.00 55.13 H new ATOM 0 HG3 ARG A 9 -0.804 0.266 -7.492 1.00 55.13 H new ATOM 0 HD2 ARG A 9 0.291 -0.953 -9.171 1.00 60.31 H new ATOM 0 HD3 ARG A 9 -1.203 -1.424 -9.957 1.00 60.31 H new ATOM 0 HE ARG A 9 -0.467 1.432 -10.065 1.00 42.40 H new ATOM 0 HH11 ARG A 9 -0.392 -1.613 -11.911 1.00 20.31 H new ATOM 0 HH12 ARG A 9 -0.283 -0.754 -13.451 1.00 20.31 H new ATOM 0 HH21 ARG A 9 -0.411 2.454 -11.976 1.00 41.41 H new ATOM 0 HH22 ARG A 9 -0.294 1.544 -13.486 1.00 41.41 H new ATOM 149 N ASN A 10 -4.860 -2.510 -6.868 1.00 35.51 N ATOM 150 CA ASN A 10 -5.720 -3.686 -6.873 1.00 42.11 C ATOM 151 C ASN A 10 -6.170 -4.040 -5.455 1.00 21.24 C ATOM 152 O ASN A 10 -5.984 -5.145 -4.951 1.00 21.24 O ATOM 153 CB ASN A 10 -5.068 -4.844 -7.644 1.00 62.21 C ATOM 154 CG ASN A 10 -6.105 -5.931 -7.901 1.00 2.24 C ATOM 155 OD1 ASN A 10 -7.114 -5.684 -8.552 1.00 11.13 O ATOM 156 ND2 ASN A 10 -5.924 -7.125 -7.375 1.00 21.11 N ATOM 0 H ASN A 10 -5.139 -1.818 -7.563 1.00 35.51 H new ATOM 0 HA ASN A 10 -6.636 -3.460 -7.418 1.00 42.11 H new ATOM 0 HB2 ASN A 10 -4.662 -4.483 -8.589 1.00 62.21 H new ATOM 0 HB3 ASN A 10 -4.233 -5.251 -7.073 1.00 62.21 H new ATOM 0 HD21 ASN A 10 -6.626 -7.853 -7.508 1.00 21.11 H new ATOM 0 HD22 ASN A 10 -5.082 -7.322 -6.835 1.00 21.11 H new ATOM 163 N LEU A 11 -6.725 -3.046 -4.770 1.00 51.22 N ATOM 164 CA LEU A 11 -7.373 -3.184 -3.476 1.00 41.02 C ATOM 165 C LEU A 11 -8.864 -3.339 -3.756 1.00 0.45 C ATOM 166 O LEU A 11 -9.424 -2.573 -4.545 1.00 55.03 O ATOM 167 CB LEU A 11 -7.055 -1.946 -2.610 1.00 31.23 C ATOM 168 CG LEU A 11 -5.543 -1.664 -2.423 1.00 24.31 C ATOM 169 CD1 LEU A 11 -5.289 -0.220 -1.997 1.00 3.42 C ATOM 170 CD2 LEU A 11 -4.926 -2.563 -1.354 1.00 41.43 C ATOM 0 H LEU A 11 -6.735 -2.087 -5.116 1.00 51.22 H new ATOM 0 HA LEU A 11 -7.018 -4.050 -2.917 1.00 41.02 H new ATOM 0 HB2 LEU A 11 -7.521 -1.071 -3.064 1.00 31.23 H new ATOM 0 HB3 LEU A 11 -7.511 -2.078 -1.629 1.00 31.23 H new ATOM 0 HG LEU A 11 -5.085 -1.862 -3.392 1.00 24.31 H new ATOM 0 HD11 LEU A 11 -4.218 -0.060 -1.876 1.00 3.42 H new ATOM 0 HD12 LEU A 11 -5.673 0.457 -2.760 1.00 3.42 H new ATOM 0 HD13 LEU A 11 -5.794 -0.025 -1.051 1.00 3.42 H new ATOM 0 HD21 LEU A 11 -3.865 -2.334 -1.254 1.00 41.43 H new ATOM 0 HD22 LEU A 11 -5.426 -2.391 -0.401 1.00 41.43 H new ATOM 0 HD23 LEU A 11 -5.046 -3.607 -1.643 1.00 41.43 H new ATOM 182 N ASN A 12 -9.506 -4.340 -3.144 1.00 34.23 N ATOM 183 CA ASN A 12 -10.928 -4.590 -3.324 1.00 20.32 C ATOM 184 C ASN A 12 -11.724 -3.512 -2.569 1.00 54.24 C ATOM 185 O ASN A 12 -11.208 -2.935 -1.603 1.00 21.44 O ATOM 186 CB ASN A 12 -11.317 -5.976 -2.801 1.00 23.43 C ATOM 187 CG ASN A 12 -11.194 -6.175 -1.321 1.00 55.34 C ATOM 188 OD1 ASN A 12 -11.982 -5.633 -0.593 1.00 54.54 O ATOM 189 ND2 ASN A 12 -10.209 -6.889 -0.829 1.00 64.40 N ATOM 0 H ASN A 12 -9.048 -4.996 -2.511 1.00 34.23 H new ATOM 0 HA ASN A 12 -11.157 -4.554 -4.389 1.00 20.32 H new ATOM 0 HB2 ASN A 12 -12.349 -6.176 -3.090 1.00 23.43 H new ATOM 0 HB3 ASN A 12 -10.696 -6.719 -3.301 1.00 23.43 H new ATOM 0 HD21 ASN A 12 -10.106 -6.989 0.181 1.00 64.40 H new ATOM 0 HD22 ASN A 12 -9.546 -7.344 -1.456 1.00 64.40 H new ATOM 196 N PRO A 13 -12.995 -3.302 -2.934 1.00 44.32 N ATOM 197 CA PRO A 13 -13.859 -2.282 -2.341 1.00 72.53 C ATOM 198 C PRO A 13 -14.245 -2.557 -0.886 1.00 64.30 C ATOM 199 O PRO A 13 -14.660 -1.634 -0.188 1.00 1.51 O ATOM 200 CB PRO A 13 -15.103 -2.253 -3.232 1.00 2.33 C ATOM 201 CG PRO A 13 -15.123 -3.634 -3.870 1.00 21.13 C ATOM 202 CD PRO A 13 -13.653 -3.900 -4.080 1.00 74.51 C ATOM 0 HA PRO A 13 -13.332 -1.329 -2.300 1.00 72.53 H new ATOM 0 HB2 PRO A 13 -16.007 -2.067 -2.652 1.00 2.33 H new ATOM 0 HB3 PRO A 13 -15.039 -1.466 -3.983 1.00 2.33 H new ATOM 0 HG2 PRO A 13 -15.584 -4.378 -3.220 1.00 21.13 H new ATOM 0 HG3 PRO A 13 -15.678 -3.643 -4.808 1.00 21.13 H new ATOM 0 HD2 PRO A 13 -13.450 -4.969 -4.138 1.00 74.51 H new ATOM 0 HD3 PRO A 13 -13.301 -3.458 -5.012 1.00 74.51 H new ATOM 210 N HIS A 14 -14.102 -3.791 -0.408 1.00 33.41 N ATOM 211 CA HIS A 14 -14.281 -4.150 0.992 1.00 13.22 C ATOM 212 C HIS A 14 -13.053 -3.790 1.838 1.00 44.54 C ATOM 213 O HIS A 14 -13.180 -3.630 3.050 1.00 2.55 O ATOM 214 CB HIS A 14 -14.552 -5.664 1.081 1.00 12.31 C ATOM 215 CG HIS A 14 -15.986 -5.997 1.361 1.00 33.41 C ATOM 216 ND1 HIS A 14 -16.477 -6.366 2.588 1.00 4.15 N ATOM 217 CD2 HIS A 14 -17.034 -5.933 0.482 1.00 22.15 C ATOM 218 CE1 HIS A 14 -17.801 -6.503 2.467 1.00 22.14 C ATOM 219 NE2 HIS A 14 -18.182 -6.320 1.190 1.00 73.03 N ATOM 0 H HIS A 14 -13.853 -4.585 -0.998 1.00 33.41 H new ATOM 0 HA HIS A 14 -15.124 -3.584 1.389 1.00 13.22 H new ATOM 0 HB2 HIS A 14 -14.254 -6.135 0.144 1.00 12.31 H new ATOM 0 HB3 HIS A 14 -13.928 -6.092 1.865 1.00 12.31 H new ATOM 0 HD2 HIS A 14 -16.986 -5.641 -0.557 1.00 22.15 H new ATOM 0 HE1 HIS A 14 -18.472 -6.729 3.282 1.00 22.14 H new ATOM 0 HE2 HIS A 14 -19.121 -6.439 0.811 1.00 73.03 H new ATOM 227 N SER A 15 -11.852 -3.714 1.241 1.00 64.34 N ATOM 228 CA SER A 15 -10.645 -3.800 2.041 1.00 75.22 C ATOM 229 C SER A 15 -10.423 -2.555 2.872 1.00 62.31 C ATOM 230 O SER A 15 -11.036 -1.516 2.644 1.00 64.13 O ATOM 231 CB SER A 15 -9.444 -4.152 1.166 1.00 3.14 C ATOM 232 OG SER A 15 -9.139 -3.272 0.105 1.00 61.44 O ATOM 0 H SER A 15 -11.704 -3.597 0.239 1.00 64.34 H new ATOM 0 HA SER A 15 -10.771 -4.612 2.758 1.00 75.22 H new ATOM 0 HB2 SER A 15 -8.567 -4.223 1.809 1.00 3.14 H new ATOM 0 HB3 SER A 15 -9.612 -5.143 0.745 1.00 3.14 H new ATOM 0 HG SER A 15 -9.913 -3.199 -0.492 1.00 61.44 H new ATOM 238 N THR A 16 -9.458 -2.642 3.770 1.00 55.24 N ATOM 239 CA THR A 16 -8.879 -1.501 4.425 1.00 11.51 C ATOM 240 C THR A 16 -7.414 -1.847 4.663 1.00 51.31 C ATOM 241 O THR A 16 -7.017 -3.017 4.633 1.00 2.22 O ATOM 242 CB THR A 16 -9.665 -1.172 5.717 1.00 0.53 C ATOM 243 OG1 THR A 16 -8.987 -0.222 6.518 1.00 52.30 O ATOM 244 CG2 THR A 16 -9.978 -2.393 6.591 1.00 52.30 C ATOM 0 H THR A 16 -9.052 -3.530 4.065 1.00 55.24 H new ATOM 0 HA THR A 16 -8.936 -0.593 3.824 1.00 11.51 H new ATOM 0 HB THR A 16 -10.609 -0.765 5.354 1.00 0.53 H new ATOM 0 HG1 THR A 16 -9.514 -0.038 7.324 1.00 52.30 H new ATOM 0 HG21 THR A 16 -10.530 -2.075 7.476 1.00 52.30 H new ATOM 0 HG22 THR A 16 -10.580 -3.102 6.023 1.00 52.30 H new ATOM 0 HG23 THR A 16 -9.047 -2.870 6.896 1.00 52.30 H new ATOM 252 N MET A 17 -6.626 -0.830 4.979 1.00 22.45 N ATOM 253 CA MET A 17 -5.338 -0.954 5.614 1.00 20.13 C ATOM 254 C MET A 17 -5.464 -1.787 6.870 1.00 44.32 C ATOM 255 O MET A 17 -4.593 -2.594 7.106 1.00 4.52 O ATOM 256 CB MET A 17 -4.804 0.440 5.921 1.00 43.14 C ATOM 257 CG MET A 17 -5.650 1.223 6.931 1.00 3.11 C ATOM 258 SD MET A 17 -5.692 3.002 6.637 1.00 34.41 S ATOM 259 CE MET A 17 -7.031 3.424 7.777 1.00 3.12 C ATOM 0 H MET A 17 -6.883 0.139 4.789 1.00 22.45 H new ATOM 0 HA MET A 17 -4.635 -1.459 4.951 1.00 20.13 H new ATOM 0 HB2 MET A 17 -3.788 0.352 6.305 1.00 43.14 H new ATOM 0 HB3 MET A 17 -4.746 1.008 4.993 1.00 43.14 H new ATOM 0 HG2 MET A 17 -6.670 0.838 6.910 1.00 3.11 H new ATOM 0 HG3 MET A 17 -5.261 1.041 7.933 1.00 3.11 H new ATOM 0 HE1 MET A 17 -7.213 4.498 7.742 1.00 3.12 H new ATOM 0 HE2 MET A 17 -7.937 2.893 7.487 1.00 3.12 H new ATOM 0 HE3 MET A 17 -6.751 3.136 8.790 1.00 3.12 H new ATOM 269 N ASP A 18 -6.548 -1.685 7.634 1.00 20.25 N ATOM 270 CA ASP A 18 -6.632 -2.402 8.903 1.00 22.24 C ATOM 271 C ASP A 18 -6.537 -3.924 8.727 1.00 55.40 C ATOM 272 O ASP A 18 -5.989 -4.628 9.574 1.00 61.02 O ATOM 273 CB ASP A 18 -7.916 -2.025 9.630 1.00 75.20 C ATOM 274 CG ASP A 18 -7.728 -2.353 11.098 1.00 15.33 C ATOM 275 OD1 ASP A 18 -8.186 -3.418 11.568 1.00 11.15 O ATOM 276 OD2 ASP A 18 -7.075 -1.536 11.772 1.00 15.51 O ATOM 0 H ASP A 18 -7.367 -1.123 7.403 1.00 20.25 H new ATOM 0 HA ASP A 18 -5.773 -2.102 9.504 1.00 22.24 H new ATOM 0 HB2 ASP A 18 -8.132 -0.965 9.500 1.00 75.20 H new ATOM 0 HB3 ASP A 18 -8.763 -2.575 9.221 1.00 75.20 H new ATOM 281 N SER A 19 -6.994 -4.412 7.572 1.00 54.51 N ATOM 282 CA SER A 19 -6.911 -5.803 7.148 1.00 12.24 C ATOM 283 C SER A 19 -5.475 -6.054 6.677 1.00 0.24 C ATOM 284 O SER A 19 -4.725 -6.836 7.266 1.00 23.04 O ATOM 285 CB SER A 19 -7.987 -6.030 6.062 1.00 60.10 C ATOM 286 OG SER A 19 -7.794 -7.178 5.253 1.00 34.44 O ATOM 0 H SER A 19 -7.451 -3.819 6.879 1.00 54.51 H new ATOM 0 HA SER A 19 -7.115 -6.518 7.945 1.00 12.24 H new ATOM 0 HB2 SER A 19 -8.960 -6.106 6.547 1.00 60.10 H new ATOM 0 HB3 SER A 19 -8.021 -5.152 5.417 1.00 60.10 H new ATOM 0 HG SER A 19 -8.520 -7.242 4.598 1.00 34.44 H new ATOM 292 N ILE A 20 -5.091 -5.350 5.616 1.00 40.13 N ATOM 293 CA ILE A 20 -3.873 -5.529 4.840 1.00 31.31 C ATOM 294 C ILE A 20 -2.620 -5.264 5.683 1.00 40.00 C ATOM 295 O ILE A 20 -1.566 -5.835 5.416 1.00 51.03 O ATOM 296 CB ILE A 20 -3.995 -4.665 3.559 1.00 20.43 C ATOM 297 CG1 ILE A 20 -5.273 -5.053 2.770 1.00 61.42 C ATOM 298 CG2 ILE A 20 -2.765 -4.745 2.643 1.00 15.41 C ATOM 299 CD1 ILE A 20 -5.539 -4.159 1.562 1.00 24.53 C ATOM 0 H ILE A 20 -5.664 -4.588 5.253 1.00 40.13 H new ATOM 0 HA ILE A 20 -3.753 -6.567 4.528 1.00 31.31 H new ATOM 0 HB ILE A 20 -4.062 -3.630 3.894 1.00 20.43 H new ATOM 0 HG12 ILE A 20 -5.183 -6.086 2.434 1.00 61.42 H new ATOM 0 HG13 ILE A 20 -6.131 -5.009 3.440 1.00 61.42 H new ATOM 0 HG21 ILE A 20 -2.922 -4.115 1.767 1.00 15.41 H new ATOM 0 HG22 ILE A 20 -1.885 -4.400 3.185 1.00 15.41 H new ATOM 0 HG23 ILE A 20 -2.614 -5.777 2.326 1.00 15.41 H new ATOM 0 HD11 ILE A 20 -6.448 -4.489 1.058 1.00 24.53 H new ATOM 0 HD12 ILE A 20 -5.661 -3.128 1.893 1.00 24.53 H new ATOM 0 HD13 ILE A 20 -4.698 -4.221 0.871 1.00 24.53 H new ATOM 311 N LEU A 21 -2.700 -4.454 6.731 1.00 4.23 N ATOM 312 CA LEU A 21 -1.582 -4.226 7.637 1.00 24.45 C ATOM 313 C LEU A 21 -1.222 -5.453 8.468 1.00 73.12 C ATOM 314 O LEU A 21 -0.095 -5.505 8.957 1.00 43.02 O ATOM 315 CB LEU A 21 -1.886 -3.066 8.607 1.00 52.52 C ATOM 316 CG LEU A 21 -1.818 -1.650 8.010 1.00 21.45 C ATOM 317 CD1 LEU A 21 -2.462 -0.638 8.966 1.00 75.12 C ATOM 318 CD2 LEU A 21 -0.376 -1.242 7.749 1.00 60.31 C ATOM 0 H LEU A 21 -3.543 -3.936 6.977 1.00 4.23 H new ATOM 0 HA LEU A 21 -0.735 -3.983 6.995 1.00 24.45 H new ATOM 0 HB2 LEU A 21 -2.883 -3.217 9.020 1.00 52.52 H new ATOM 0 HB3 LEU A 21 -1.184 -3.122 9.439 1.00 52.52 H new ATOM 0 HG LEU A 21 -2.362 -1.658 7.066 1.00 21.45 H new ATOM 0 HD11 LEU A 21 -2.407 0.360 8.531 1.00 75.12 H new ATOM 0 HD12 LEU A 21 -3.506 -0.905 9.129 1.00 75.12 H new ATOM 0 HD13 LEU A 21 -1.931 -0.648 9.918 1.00 75.12 H new ATOM 0 HD21 LEU A 21 -0.353 -0.237 7.327 1.00 60.31 H new ATOM 0 HD22 LEU A 21 0.181 -1.255 8.686 1.00 60.31 H new ATOM 0 HD23 LEU A 21 0.079 -1.941 7.047 1.00 60.31 H new ATOM 330 N GLY A 22 -2.126 -6.424 8.607 1.00 71.13 N ATOM 331 CA GLY A 22 -1.826 -7.703 9.244 1.00 74.10 C ATOM 332 C GLY A 22 -1.570 -8.790 8.204 1.00 53.31 C ATOM 333 O GLY A 22 -0.756 -9.683 8.423 1.00 31.55 O ATOM 0 H GLY A 22 -3.089 -6.343 8.279 1.00 71.13 H new ATOM 0 HA2 GLY A 22 -0.951 -7.597 9.886 1.00 74.10 H new ATOM 0 HA3 GLY A 22 -2.657 -7.997 9.885 1.00 74.10 H new ATOM 337 N ALA A 23 -2.253 -8.719 7.058 1.00 40.24 N ATOM 338 CA ALA A 23 -2.253 -9.800 6.085 1.00 54.13 C ATOM 339 C ALA A 23 -1.092 -9.668 5.098 1.00 21.42 C ATOM 340 O ALA A 23 -0.492 -10.660 4.694 1.00 61.50 O ATOM 341 CB ALA A 23 -3.596 -9.803 5.361 1.00 1.05 C ATOM 0 H ALA A 23 -2.816 -7.913 6.785 1.00 40.24 H new ATOM 0 HA ALA A 23 -2.114 -10.749 6.602 1.00 54.13 H new ATOM 0 HB1 ALA A 23 -3.612 -10.609 4.627 1.00 1.05 H new ATOM 0 HB2 ALA A 23 -4.398 -9.954 6.083 1.00 1.05 H new ATOM 0 HB3 ALA A 23 -3.739 -8.848 4.855 1.00 1.05 H new ATOM 347 N LEU A 24 -0.746 -8.438 4.713 1.00 42.14 N ATOM 348 CA LEU A 24 0.317 -8.147 3.761 1.00 54.31 C ATOM 349 C LEU A 24 1.536 -7.673 4.556 1.00 64.30 C ATOM 350 O LEU A 24 2.165 -6.675 4.197 1.00 23.31 O ATOM 351 CB LEU A 24 -0.223 -7.094 2.782 1.00 11.12 C ATOM 352 CG LEU A 24 0.652 -6.821 1.541 1.00 72.34 C ATOM 353 CD1 LEU A 24 0.342 -7.816 0.421 1.00 72.11 C ATOM 354 CD2 LEU A 24 0.405 -5.393 1.037 1.00 33.51 C ATOM 0 H LEU A 24 -1.210 -7.601 5.065 1.00 42.14 H new ATOM 0 HA LEU A 24 0.628 -9.014 3.177 1.00 54.31 H new ATOM 0 HB2 LEU A 24 -1.210 -7.411 2.445 1.00 11.12 H new ATOM 0 HB3 LEU A 24 -0.356 -6.157 3.323 1.00 11.12 H new ATOM 0 HG LEU A 24 1.697 -6.937 1.829 1.00 72.34 H new ATOM 0 HD11 LEU A 24 0.973 -7.601 -0.442 1.00 72.11 H new ATOM 0 HD12 LEU A 24 0.538 -8.830 0.770 1.00 72.11 H new ATOM 0 HD13 LEU A 24 -0.706 -7.727 0.135 1.00 72.11 H new ATOM 0 HD21 LEU A 24 1.025 -5.204 0.161 1.00 33.51 H new ATOM 0 HD22 LEU A 24 -0.646 -5.278 0.770 1.00 33.51 H new ATOM 0 HD23 LEU A 24 0.660 -4.681 1.822 1.00 33.51 H new ATOM 366 N ALA A 25 1.847 -8.327 5.679 1.00 41.40 N ATOM 367 CA ALA A 25 2.984 -7.984 6.533 1.00 2.21 C ATOM 368 C ALA A 25 3.972 -9.163 6.646 1.00 20.42 C ATOM 369 O ALA A 25 4.334 -9.571 7.752 1.00 1.12 O ATOM 370 CB ALA A 25 2.410 -7.563 7.887 1.00 60.11 C ATOM 0 H ALA A 25 1.307 -9.121 6.024 1.00 41.40 H new ATOM 0 HA ALA A 25 3.564 -7.164 6.109 1.00 2.21 H new ATOM 0 HB1 ALA A 25 3.225 -7.297 8.561 1.00 60.11 H new ATOM 0 HB2 ALA A 25 1.754 -6.703 7.753 1.00 60.11 H new ATOM 0 HB3 ALA A 25 1.842 -8.389 8.314 1.00 60.11 H new ATOM 376 N PRO A 26 4.463 -9.718 5.521 1.00 51.43 N ATOM 377 CA PRO A 26 5.319 -10.900 5.538 1.00 0.03 C ATOM 378 C PRO A 26 6.726 -10.641 6.077 1.00 0.23 C ATOM 379 O PRO A 26 7.388 -11.582 6.514 1.00 33.14 O ATOM 380 CB PRO A 26 5.415 -11.346 4.075 1.00 20.15 C ATOM 381 CG PRO A 26 5.206 -10.050 3.304 1.00 14.13 C ATOM 382 CD PRO A 26 4.159 -9.350 4.146 1.00 61.12 C ATOM 0 HA PRO A 26 4.888 -11.647 6.204 1.00 0.03 H new ATOM 0 HB2 PRO A 26 6.383 -11.795 3.853 1.00 20.15 H new ATOM 0 HB3 PRO A 26 4.655 -12.088 3.829 1.00 20.15 H new ATOM 0 HG2 PRO A 26 6.124 -9.468 3.227 1.00 14.13 H new ATOM 0 HG3 PRO A 26 4.858 -10.231 2.287 1.00 14.13 H new ATOM 0 HD2 PRO A 26 4.202 -8.269 4.009 1.00 61.12 H new ATOM 0 HD3 PRO A 26 3.154 -9.667 3.867 1.00 61.12 H new ATOM 390 N TYR A 27 7.209 -9.399 5.997 1.00 2.32 N ATOM 391 CA TYR A 27 8.597 -9.039 6.268 1.00 13.34 C ATOM 392 C TYR A 27 8.588 -7.777 7.131 1.00 72.50 C ATOM 393 O TYR A 27 9.045 -7.815 8.272 1.00 22.13 O ATOM 394 CB TYR A 27 9.398 -8.862 4.955 1.00 34.15 C ATOM 395 CG TYR A 27 9.079 -9.837 3.831 1.00 33.35 C ATOM 396 CD1 TYR A 27 8.492 -9.347 2.657 1.00 23.24 C ATOM 397 CD2 TYR A 27 9.321 -11.218 3.953 1.00 41.12 C ATOM 398 CE1 TYR A 27 8.073 -10.227 1.646 1.00 75.50 C ATOM 399 CE2 TYR A 27 8.925 -12.110 2.937 1.00 64.22 C ATOM 400 CZ TYR A 27 8.278 -11.614 1.783 1.00 72.11 C ATOM 401 OH TYR A 27 7.848 -12.438 0.792 1.00 71.21 O ATOM 0 H TYR A 27 6.631 -8.600 5.736 1.00 2.32 H new ATOM 0 HA TYR A 27 9.104 -9.838 6.809 1.00 13.34 H new ATOM 0 HB2 TYR A 27 9.231 -7.850 4.587 1.00 34.15 H new ATOM 0 HB3 TYR A 27 10.459 -8.945 5.188 1.00 34.15 H new ATOM 0 HD1 TYR A 27 8.361 -8.283 2.528 1.00 23.24 H new ATOM 0 HD2 TYR A 27 9.815 -11.598 4.835 1.00 41.12 H new ATOM 0 HE1 TYR A 27 7.592 -9.839 0.760 1.00 75.50 H new ATOM 0 HE2 TYR A 27 9.115 -13.168 3.040 1.00 64.22 H new ATOM 0 HH TYR A 27 8.059 -13.366 1.024 1.00 71.21 H new ATOM 411 N ALA A 28 7.994 -6.692 6.624 1.00 14.31 N ATOM 412 CA ALA A 28 7.835 -5.433 7.337 1.00 75.54 C ATOM 413 C ALA A 28 6.388 -5.282 7.776 1.00 64.23 C ATOM 414 O ALA A 28 5.497 -5.951 7.241 1.00 40.31 O ATOM 415 CB ALA A 28 8.211 -4.266 6.420 1.00 72.43 C ATOM 0 H ALA A 28 7.603 -6.671 5.682 1.00 14.31 H new ATOM 0 HA ALA A 28 8.487 -5.429 8.210 1.00 75.54 H new ATOM 0 HB1 ALA A 28 8.090 -3.326 6.959 1.00 72.43 H new ATOM 0 HB2 ALA A 28 9.249 -4.372 6.103 1.00 72.43 H new ATOM 0 HB3 ALA A 28 7.562 -4.268 5.544 1.00 72.43 H new ATOM 421 N VAL A 29 6.164 -4.359 8.706 1.00 24.35 N ATOM 422 CA VAL A 29 4.865 -4.069 9.273 1.00 11.02 C ATOM 423 C VAL A 29 4.759 -2.545 9.417 1.00 3.05 C ATOM 424 O VAL A 29 5.514 -1.934 10.180 1.00 43.14 O ATOM 425 CB VAL A 29 4.678 -4.824 10.607 1.00 72.13 C ATOM 426 CG1 VAL A 29 3.178 -4.871 10.933 1.00 53.41 C ATOM 427 CG2 VAL A 29 5.254 -6.254 10.636 1.00 11.13 C ATOM 0 H VAL A 29 6.908 -3.779 9.093 1.00 24.35 H new ATOM 0 HA VAL A 29 4.058 -4.416 8.628 1.00 11.02 H new ATOM 0 HB VAL A 29 5.247 -4.270 11.354 1.00 72.13 H new ATOM 0 HG11 VAL A 29 3.026 -5.401 11.873 1.00 53.41 H new ATOM 0 HG12 VAL A 29 2.793 -3.855 11.023 1.00 53.41 H new ATOM 0 HG13 VAL A 29 2.648 -5.390 10.134 1.00 53.41 H new ATOM 0 HG21 VAL A 29 5.073 -6.700 11.614 1.00 11.13 H new ATOM 0 HG22 VAL A 29 4.770 -6.857 9.867 1.00 11.13 H new ATOM 0 HG23 VAL A 29 6.327 -6.218 10.447 1.00 11.13 H new ATOM 437 N LEU A 30 3.878 -1.934 8.626 1.00 20.23 N ATOM 438 CA LEU A 30 3.579 -0.498 8.604 1.00 2.33 C ATOM 439 C LEU A 30 2.627 -0.116 9.759 1.00 63.34 C ATOM 440 O LEU A 30 2.297 -0.954 10.602 1.00 1.33 O ATOM 441 CB LEU A 30 2.923 -0.131 7.256 1.00 23.15 C ATOM 442 CG LEU A 30 3.697 -0.468 5.973 1.00 55.33 C ATOM 443 CD1 LEU A 30 2.701 -0.521 4.810 1.00 14.21 C ATOM 444 CD2 LEU A 30 4.788 0.559 5.657 1.00 34.44 C ATOM 0 H LEU A 30 3.323 -2.453 7.946 1.00 20.23 H new ATOM 0 HA LEU A 30 4.512 0.052 8.727 1.00 2.33 H new ATOM 0 HB2 LEU A 30 1.956 -0.631 7.206 1.00 23.15 H new ATOM 0 HB3 LEU A 30 2.728 0.941 7.258 1.00 23.15 H new ATOM 0 HG LEU A 30 4.192 -1.428 6.119 1.00 55.33 H new ATOM 0 HD11 LEU A 30 3.231 -0.759 3.888 1.00 14.21 H new ATOM 0 HD12 LEU A 30 1.952 -1.288 5.007 1.00 14.21 H new ATOM 0 HD13 LEU A 30 2.210 0.447 4.707 1.00 14.21 H new ATOM 0 HD21 LEU A 30 5.303 0.272 4.740 1.00 34.44 H new ATOM 0 HD22 LEU A 30 4.335 1.542 5.526 1.00 34.44 H new ATOM 0 HD23 LEU A 30 5.503 0.595 6.479 1.00 34.44 H new ATOM 456 N SER A 31 2.128 1.127 9.773 1.00 11.24 N ATOM 457 CA SER A 31 0.998 1.588 10.589 1.00 14.51 C ATOM 458 C SER A 31 -0.025 2.334 9.717 1.00 40.22 C ATOM 459 O SER A 31 0.290 2.726 8.592 1.00 22.15 O ATOM 460 CB SER A 31 1.519 2.490 11.715 1.00 1.32 C ATOM 461 OG SER A 31 2.319 1.741 12.620 1.00 12.21 O ATOM 0 H SER A 31 2.517 1.869 9.192 1.00 11.24 H new ATOM 0 HA SER A 31 0.495 0.727 11.030 1.00 14.51 H new ATOM 0 HB2 SER A 31 2.104 3.307 11.293 1.00 1.32 H new ATOM 0 HB3 SER A 31 0.680 2.939 12.247 1.00 1.32 H new ATOM 0 HG SER A 31 2.646 2.330 13.332 1.00 12.21 H new ATOM 467 N SER A 32 -1.257 2.548 10.198 1.00 31.22 N ATOM 468 CA SER A 32 -2.314 3.174 9.400 1.00 63.02 C ATOM 469 C SER A 32 -1.997 4.643 9.082 1.00 11.44 C ATOM 470 O SER A 32 -2.425 5.156 8.044 1.00 20.04 O ATOM 471 CB SER A 32 -3.686 2.978 10.067 1.00 23.12 C ATOM 472 OG SER A 32 -3.901 3.875 11.137 1.00 13.35 O ATOM 0 H SER A 32 -1.545 2.294 11.143 1.00 31.22 H new ATOM 0 HA SER A 32 -2.359 2.671 8.434 1.00 63.02 H new ATOM 0 HB2 SER A 32 -4.471 3.111 9.322 1.00 23.12 H new ATOM 0 HB3 SER A 32 -3.765 1.955 10.434 1.00 23.12 H new ATOM 0 HG SER A 32 -4.785 3.713 11.527 1.00 13.35 H new ATOM 478 N SER A 33 -1.181 5.318 9.898 1.00 21.22 N ATOM 479 CA SER A 33 -0.605 6.631 9.611 1.00 11.45 C ATOM 480 C SER A 33 0.154 6.659 8.282 1.00 40.44 C ATOM 481 O SER A 33 0.297 7.710 7.646 1.00 71.14 O ATOM 482 CB SER A 33 0.344 7.006 10.753 1.00 2.53 C ATOM 483 OG SER A 33 1.093 5.896 11.225 1.00 22.25 O ATOM 0 H SER A 33 -0.895 4.951 10.806 1.00 21.22 H new ATOM 0 HA SER A 33 -1.421 7.349 9.528 1.00 11.45 H new ATOM 0 HB2 SER A 33 1.028 7.783 10.412 1.00 2.53 H new ATOM 0 HB3 SER A 33 -0.232 7.428 11.576 1.00 2.53 H new ATOM 0 HG SER A 33 1.905 5.796 10.686 1.00 22.25 H new ATOM 489 N ASN A 34 0.627 5.495 7.852 1.00 22.42 N ATOM 490 CA ASN A 34 1.516 5.301 6.729 1.00 3.23 C ATOM 491 C ASN A 34 0.775 4.598 5.606 1.00 34.51 C ATOM 492 O ASN A 34 1.427 4.136 4.683 1.00 2.14 O ATOM 493 CB ASN A 34 2.723 4.470 7.174 1.00 0.24 C ATOM 494 CG ASN A 34 3.464 5.138 8.316 1.00 42.30 C ATOM 495 OD1 ASN A 34 2.972 5.226 9.438 1.00 24.34 O ATOM 496 ND2 ASN A 34 4.602 5.731 8.028 1.00 21.35 N ATOM 0 H ASN A 34 0.382 4.616 8.308 1.00 22.42 H new ATOM 0 HA ASN A 34 1.865 6.267 6.366 1.00 3.23 H new ATOM 0 HB2 ASN A 34 2.390 3.479 7.484 1.00 0.24 H new ATOM 0 HB3 ASN A 34 3.400 4.329 6.332 1.00 0.24 H new ATOM 0 HD21 ASN A 34 5.089 6.274 8.741 1.00 21.35 H new ATOM 0 HD22 ASN A 34 4.997 5.648 7.091 1.00 21.35 H new ATOM 503 N VAL A 35 -0.560 4.521 5.644 1.00 4.25 N ATOM 504 CA VAL A 35 -1.360 3.965 4.568 1.00 43.21 C ATOM 505 C VAL A 35 -2.546 4.908 4.352 1.00 31.32 C ATOM 506 O VAL A 35 -3.587 4.808 5.008 1.00 15.14 O ATOM 507 CB VAL A 35 -1.748 2.497 4.847 1.00 51.41 C ATOM 508 CG1 VAL A 35 -2.337 1.879 3.570 1.00 72.13 C ATOM 509 CG2 VAL A 35 -0.558 1.612 5.245 1.00 64.41 C ATOM 0 H VAL A 35 -1.113 4.849 6.436 1.00 4.25 H new ATOM 0 HA VAL A 35 -0.794 3.907 3.638 1.00 43.21 H new ATOM 0 HB VAL A 35 -2.456 2.528 5.676 1.00 51.41 H new ATOM 0 HG11 VAL A 35 -2.613 0.842 3.761 1.00 72.13 H new ATOM 0 HG12 VAL A 35 -3.222 2.440 3.269 1.00 72.13 H new ATOM 0 HG13 VAL A 35 -1.595 1.916 2.772 1.00 72.13 H new ATOM 0 HG21 VAL A 35 -0.905 0.595 5.426 1.00 64.41 H new ATOM 0 HG22 VAL A 35 0.177 1.607 4.440 1.00 64.41 H new ATOM 0 HG23 VAL A 35 -0.099 2.005 6.152 1.00 64.41 H new ATOM 519 N ARG A 36 -2.395 5.858 3.430 1.00 75.20 N ATOM 520 CA ARG A 36 -3.498 6.681 2.958 1.00 2.25 C ATOM 521 C ARG A 36 -4.361 5.800 2.060 1.00 61.20 C ATOM 522 O ARG A 36 -4.035 5.615 0.889 1.00 43.44 O ATOM 523 CB ARG A 36 -2.976 7.938 2.225 1.00 23.13 C ATOM 524 CG ARG A 36 -3.788 9.200 2.554 1.00 1.13 C ATOM 525 CD ARG A 36 -5.294 9.123 2.248 1.00 60.21 C ATOM 526 NE ARG A 36 -6.111 9.325 3.461 1.00 60.21 N ATOM 527 CZ ARG A 36 -6.602 10.492 3.905 1.00 21.42 C ATOM 528 NH1 ARG A 36 -6.326 11.630 3.279 1.00 42.14 N ATOM 529 NH2 ARG A 36 -7.377 10.531 4.982 1.00 31.11 N ATOM 0 H ARG A 36 -1.501 6.076 2.991 1.00 75.20 H new ATOM 0 HA ARG A 36 -4.096 7.053 3.790 1.00 2.25 H new ATOM 0 HB2 ARG A 36 -1.933 8.103 2.494 1.00 23.13 H new ATOM 0 HB3 ARG A 36 -3.004 7.764 1.149 1.00 23.13 H new ATOM 0 HG2 ARG A 36 -3.662 9.425 3.613 1.00 1.13 H new ATOM 0 HG3 ARG A 36 -3.365 10.037 1.998 1.00 1.13 H new ATOM 0 HD2 ARG A 36 -5.553 9.878 1.505 1.00 60.21 H new ATOM 0 HD3 ARG A 36 -5.527 8.152 1.810 1.00 60.21 H new ATOM 0 HE ARG A 36 -6.323 8.496 4.016 1.00 60.21 H new ATOM 0 HH11 ARG A 36 -5.733 11.625 2.449 1.00 42.14 H new ATOM 0 HH12 ARG A 36 -6.707 12.510 3.628 1.00 42.14 H new ATOM 0 HH21 ARG A 36 -7.603 9.669 5.479 1.00 31.11 H new ATOM 0 HH22 ARG A 36 -7.746 11.423 5.313 1.00 31.11 H new ATOM 543 N VAL A 37 -5.445 5.251 2.598 1.00 51.31 N ATOM 544 CA VAL A 37 -6.520 4.666 1.808 1.00 31.23 C ATOM 545 C VAL A 37 -7.585 5.753 1.739 1.00 51.24 C ATOM 546 O VAL A 37 -8.205 6.058 2.758 1.00 34.12 O ATOM 547 CB VAL A 37 -7.038 3.354 2.439 1.00 14.05 C ATOM 548 CG1 VAL A 37 -8.001 2.615 1.497 1.00 4.35 C ATOM 549 CG2 VAL A 37 -5.894 2.399 2.791 1.00 61.32 C ATOM 0 H VAL A 37 -5.603 5.200 3.604 1.00 51.31 H new ATOM 0 HA VAL A 37 -6.193 4.373 0.810 1.00 31.23 H new ATOM 0 HB VAL A 37 -7.562 3.648 3.349 1.00 14.05 H new ATOM 0 HG11 VAL A 37 -8.345 1.697 1.975 1.00 4.35 H new ATOM 0 HG12 VAL A 37 -8.857 3.253 1.279 1.00 4.35 H new ATOM 0 HG13 VAL A 37 -7.485 2.370 0.569 1.00 4.35 H new ATOM 0 HG21 VAL A 37 -6.302 1.489 3.232 1.00 61.32 H new ATOM 0 HG22 VAL A 37 -5.339 2.147 1.887 1.00 61.32 H new ATOM 0 HG23 VAL A 37 -5.225 2.880 3.505 1.00 61.32 H new ATOM 559 N ILE A 38 -7.737 6.407 0.592 1.00 33.14 N ATOM 560 CA ILE A 38 -8.889 7.243 0.293 1.00 51.31 C ATOM 561 C ILE A 38 -10.078 6.297 0.113 1.00 63.20 C ATOM 562 O ILE A 38 -9.958 5.252 -0.539 1.00 72.11 O ATOM 563 CB ILE A 38 -8.642 8.071 -0.988 1.00 72.34 C ATOM 564 CG1 ILE A 38 -7.353 8.923 -0.921 1.00 21.33 C ATOM 565 CG2 ILE A 38 -9.858 8.969 -1.288 1.00 73.23 C ATOM 566 CD1 ILE A 38 -7.002 9.562 -2.270 1.00 13.34 C ATOM 0 H ILE A 38 -7.053 6.369 -0.164 1.00 33.14 H new ATOM 0 HA ILE A 38 -9.078 7.955 1.096 1.00 51.31 H new ATOM 0 HB ILE A 38 -8.504 7.356 -1.799 1.00 72.34 H new ATOM 0 HG12 ILE A 38 -7.477 9.706 -0.173 1.00 21.33 H new ATOM 0 HG13 ILE A 38 -6.524 8.297 -0.592 1.00 21.33 H new ATOM 0 HG21 ILE A 38 -9.669 9.546 -2.193 1.00 73.23 H new ATOM 0 HG22 ILE A 38 -10.742 8.348 -1.431 1.00 73.23 H new ATOM 0 HG23 ILE A 38 -10.023 9.649 -0.452 1.00 73.23 H new ATOM 0 HD11 ILE A 38 -6.089 10.149 -2.168 1.00 13.34 H new ATOM 0 HD12 ILE A 38 -6.849 8.780 -3.014 1.00 13.34 H new ATOM 0 HD13 ILE A 38 -7.818 10.212 -2.588 1.00 13.34 H new ATOM 578 N LYS A 39 -11.235 6.676 0.656 1.00 22.13 N ATOM 579 CA LYS A 39 -12.478 5.931 0.499 1.00 63.43 C ATOM 580 C LYS A 39 -13.586 6.874 0.069 1.00 55.32 C ATOM 581 O LYS A 39 -13.486 8.082 0.300 1.00 12.32 O ATOM 582 CB LYS A 39 -12.871 5.200 1.792 1.00 11.43 C ATOM 583 CG LYS A 39 -11.742 4.466 2.536 1.00 71.44 C ATOM 584 CD LYS A 39 -11.166 5.321 3.675 1.00 24.45 C ATOM 585 CE LYS A 39 -10.172 4.564 4.564 1.00 24.22 C ATOM 586 NZ LYS A 39 -10.817 3.472 5.318 1.00 35.21 N ATOM 0 H LYS A 39 -11.333 7.518 1.223 1.00 22.13 H new ATOM 0 HA LYS A 39 -12.324 5.173 -0.269 1.00 63.43 H new ATOM 0 HB2 LYS A 39 -13.313 5.927 2.474 1.00 11.43 H new ATOM 0 HB3 LYS A 39 -13.649 4.475 1.551 1.00 11.43 H new ATOM 0 HG2 LYS A 39 -12.122 3.528 2.941 1.00 71.44 H new ATOM 0 HG3 LYS A 39 -10.948 4.212 1.834 1.00 71.44 H new ATOM 0 HD2 LYS A 39 -10.670 6.193 3.249 1.00 24.45 H new ATOM 0 HD3 LYS A 39 -11.985 5.690 4.292 1.00 24.45 H new ATOM 0 HE2 LYS A 39 -9.374 4.154 3.946 1.00 24.22 H new ATOM 0 HE3 LYS A 39 -9.708 5.261 5.262 1.00 24.22 H new ATOM 0 HZ1 LYS A 39 -10.147 3.088 6.015 1.00 35.21 H new ATOM 0 HZ2 LYS A 39 -11.657 3.839 5.810 1.00 35.21 H new ATOM 0 HZ3 LYS A 39 -11.103 2.718 4.661 1.00 35.21 H new ATOM 600 N ASP A 40 -14.625 6.318 -0.542 1.00 42.44 N ATOM 601 CA ASP A 40 -15.774 7.050 -1.051 1.00 63.01 C ATOM 602 C ASP A 40 -16.617 7.598 0.110 1.00 72.41 C ATOM 603 O ASP A 40 -16.517 7.115 1.246 1.00 73.13 O ATOM 604 CB ASP A 40 -16.622 6.108 -1.909 1.00 3.13 C ATOM 605 CG ASP A 40 -17.510 6.882 -2.866 1.00 64.31 C ATOM 606 OD1 ASP A 40 -17.112 7.063 -4.036 1.00 51.24 O ATOM 607 OD2 ASP A 40 -18.594 7.321 -2.434 1.00 11.15 O ATOM 0 H ASP A 40 -14.691 5.313 -0.701 1.00 42.44 H new ATOM 0 HA ASP A 40 -15.429 7.891 -1.653 1.00 63.01 H new ATOM 0 HB2 ASP A 40 -15.970 5.441 -2.473 1.00 3.13 H new ATOM 0 HB3 ASP A 40 -17.238 5.481 -1.264 1.00 3.13 H new ATOM 612 N LYS A 41 -17.499 8.558 -0.171 1.00 15.21 N ATOM 613 CA LYS A 41 -18.357 9.228 0.806 1.00 54.44 C ATOM 614 C LYS A 41 -19.803 8.740 0.755 1.00 22.44 C ATOM 615 O LYS A 41 -20.533 8.844 1.745 1.00 55.23 O ATOM 616 CB LYS A 41 -18.262 10.739 0.545 1.00 41.52 C ATOM 617 CG LYS A 41 -18.602 11.571 1.783 1.00 34.23 C ATOM 618 CD LYS A 41 -18.214 13.035 1.553 1.00 2.42 C ATOM 619 CE LYS A 41 -18.446 13.858 2.820 1.00 12.15 C ATOM 620 NZ LYS A 41 -18.018 15.259 2.650 1.00 14.33 N ATOM 0 H LYS A 41 -17.640 8.903 -1.121 1.00 15.21 H new ATOM 0 HA LYS A 41 -18.012 8.990 1.812 1.00 54.44 H new ATOM 0 HB2 LYS A 41 -17.253 10.984 0.213 1.00 41.52 H new ATOM 0 HB3 LYS A 41 -18.939 11.007 -0.266 1.00 41.52 H new ATOM 0 HG2 LYS A 41 -19.668 11.498 1.999 1.00 34.23 H new ATOM 0 HG3 LYS A 41 -18.074 11.178 2.652 1.00 34.23 H new ATOM 0 HD2 LYS A 41 -17.166 13.097 1.259 1.00 2.42 H new ATOM 0 HD3 LYS A 41 -18.800 13.448 0.732 1.00 2.42 H new ATOM 0 HE2 LYS A 41 -19.504 13.830 3.083 1.00 12.15 H new ATOM 0 HE3 LYS A 41 -17.900 13.409 3.650 1.00 12.15 H new ATOM 0 HZ1 LYS A 41 -18.192 15.784 3.531 1.00 14.33 H new ATOM 0 HZ2 LYS A 41 -17.003 15.287 2.424 1.00 14.33 H new ATOM 0 HZ3 LYS A 41 -18.557 15.695 1.875 1.00 14.33 H new ATOM 634 N GLN A 42 -20.205 8.138 -0.354 1.00 62.30 N ATOM 635 CA GLN A 42 -21.557 7.718 -0.640 1.00 22.31 C ATOM 636 C GLN A 42 -21.601 6.197 -0.666 1.00 1.51 C ATOM 637 O GLN A 42 -22.468 5.613 -0.013 1.00 34.35 O ATOM 638 CB GLN A 42 -21.977 8.348 -1.973 1.00 74.31 C ATOM 639 CG GLN A 42 -23.002 9.481 -1.850 1.00 24.32 C ATOM 640 CD GLN A 42 -22.744 10.525 -0.759 1.00 33.32 C ATOM 641 OE1 GLN A 42 -21.624 10.921 -0.445 1.00 24.11 O ATOM 642 NE2 GLN A 42 -23.788 11.027 -0.128 1.00 61.00 N ATOM 0 H GLN A 42 -19.560 7.921 -1.114 1.00 62.30 H new ATOM 0 HA GLN A 42 -22.260 8.049 0.125 1.00 22.31 H new ATOM 0 HB2 GLN A 42 -21.088 8.733 -2.474 1.00 74.31 H new ATOM 0 HB3 GLN A 42 -22.391 7.569 -2.613 1.00 74.31 H new ATOM 0 HG2 GLN A 42 -23.056 9.997 -2.809 1.00 24.32 H new ATOM 0 HG3 GLN A 42 -23.981 9.037 -1.671 1.00 24.32 H new ATOM 0 HE21 GLN A 42 -24.729 10.715 -0.370 1.00 61.00 H new ATOM 0 HE22 GLN A 42 -23.655 11.727 0.602 1.00 61.00 H new ATOM 651 N THR A 43 -20.649 5.552 -1.344 1.00 43.21 N ATOM 652 CA THR A 43 -20.601 4.092 -1.430 1.00 52.54 C ATOM 653 C THR A 43 -19.779 3.484 -0.292 1.00 74.41 C ATOM 654 O THR A 43 -19.921 2.294 -0.008 1.00 60.01 O ATOM 655 CB THR A 43 -20.079 3.660 -2.807 1.00 0.32 C ATOM 656 OG1 THR A 43 -18.792 4.180 -3.052 1.00 44.44 O ATOM 657 CG2 THR A 43 -21.002 4.147 -3.926 1.00 60.01 C ATOM 0 H THR A 43 -19.896 6.023 -1.845 1.00 43.21 H new ATOM 0 HA THR A 43 -21.615 3.709 -1.316 1.00 52.54 H new ATOM 0 HB THR A 43 -20.045 2.571 -2.798 1.00 0.32 H new ATOM 0 HG1 THR A 43 -18.484 3.888 -3.935 1.00 44.44 H new ATOM 0 HG21 THR A 43 -20.606 3.826 -4.890 1.00 60.01 H new ATOM 0 HG22 THR A 43 -21.998 3.727 -3.785 1.00 60.01 H new ATOM 0 HG23 THR A 43 -21.060 5.235 -3.902 1.00 60.01 H new ATOM 665 N GLN A 44 -18.967 4.301 0.392 1.00 11.53 N ATOM 666 CA GLN A 44 -18.099 3.894 1.491 1.00 21.34 C ATOM 667 C GLN A 44 -17.191 2.722 1.071 1.00 1.14 C ATOM 668 O GLN A 44 -17.073 1.740 1.811 1.00 12.53 O ATOM 669 CB GLN A 44 -18.954 3.604 2.746 1.00 63.12 C ATOM 670 CG GLN A 44 -19.799 4.790 3.238 1.00 72.31 C ATOM 671 CD GLN A 44 -18.977 5.894 3.893 1.00 4.41 C ATOM 672 OE1 GLN A 44 -18.031 5.641 4.634 1.00 11.44 O ATOM 673 NE2 GLN A 44 -19.289 7.153 3.644 1.00 21.22 N ATOM 0 H GLN A 44 -18.898 5.297 0.183 1.00 11.53 H new ATOM 0 HA GLN A 44 -17.420 4.706 1.751 1.00 21.34 H new ATOM 0 HB2 GLN A 44 -19.618 2.767 2.530 1.00 63.12 H new ATOM 0 HB3 GLN A 44 -18.294 3.287 3.553 1.00 63.12 H new ATOM 0 HG2 GLN A 44 -20.348 5.209 2.395 1.00 72.31 H new ATOM 0 HG3 GLN A 44 -20.539 4.427 3.952 1.00 72.31 H new ATOM 0 HE21 GLN A 44 -20.073 7.372 3.030 1.00 21.22 H new ATOM 0 HE22 GLN A 44 -18.746 7.906 4.066 1.00 21.22 H new ATOM 682 N LEU A 45 -16.569 2.823 -0.114 1.00 60.34 N ATOM 683 CA LEU A 45 -15.609 1.858 -0.665 1.00 2.42 C ATOM 684 C LEU A 45 -14.309 2.570 -1.009 1.00 15.32 C ATOM 685 O LEU A 45 -14.332 3.750 -1.333 1.00 73.14 O ATOM 686 CB LEU A 45 -16.094 1.270 -1.997 1.00 61.21 C ATOM 687 CG LEU A 45 -17.551 0.815 -2.059 1.00 35.33 C ATOM 688 CD1 LEU A 45 -17.860 0.345 -3.476 1.00 4.13 C ATOM 689 CD2 LEU A 45 -17.853 -0.284 -1.054 1.00 75.31 C ATOM 0 H LEU A 45 -16.729 3.613 -0.739 1.00 60.34 H new ATOM 0 HA LEU A 45 -15.488 1.080 0.089 1.00 2.42 H new ATOM 0 HB2 LEU A 45 -15.938 2.017 -2.775 1.00 61.21 H new ATOM 0 HB3 LEU A 45 -15.461 0.417 -2.243 1.00 61.21 H new ATOM 0 HG LEU A 45 -18.187 1.660 -1.797 1.00 35.33 H new ATOM 0 HD11 LEU A 45 -18.898 0.018 -3.532 1.00 4.13 H new ATOM 0 HD12 LEU A 45 -17.700 1.166 -4.175 1.00 4.13 H new ATOM 0 HD13 LEU A 45 -17.203 -0.485 -3.735 1.00 4.13 H new ATOM 0 HD21 LEU A 45 -18.900 -0.574 -1.136 1.00 75.31 H new ATOM 0 HD22 LEU A 45 -17.220 -1.148 -1.258 1.00 75.31 H new ATOM 0 HD23 LEU A 45 -17.655 0.080 -0.046 1.00 75.31 H new ATOM 701 N ASN A 46 -13.189 1.863 -1.058 1.00 35.41 N ATOM 702 CA ASN A 46 -11.899 2.464 -1.393 1.00 54.03 C ATOM 703 C ASN A 46 -11.839 2.951 -2.846 1.00 12.41 C ATOM 704 O ASN A 46 -12.618 2.547 -3.721 1.00 22.33 O ATOM 705 CB ASN A 46 -10.712 1.535 -1.121 1.00 60.24 C ATOM 706 CG ASN A 46 -10.861 0.720 0.126 1.00 0.25 C ATOM 707 OD1 ASN A 46 -10.935 1.281 1.210 1.00 15.41 O ATOM 708 ND2 ASN A 46 -10.937 -0.588 0.024 1.00 51.14 N ATOM 0 H ASN A 46 -13.145 0.862 -0.868 1.00 35.41 H new ATOM 0 HA ASN A 46 -11.815 3.324 -0.729 1.00 54.03 H new ATOM 0 HB2 ASN A 46 -10.585 0.864 -1.970 1.00 60.24 H new ATOM 0 HB3 ASN A 46 -9.803 2.132 -1.048 1.00 60.24 H new ATOM 0 HD21 ASN A 46 -11.060 -1.158 0.861 1.00 51.14 H new ATOM 0 HD22 ASN A 46 -10.873 -1.033 -0.892 1.00 51.14 H new ATOM 715 N ARG A 47 -10.841 3.791 -3.137 1.00 4.11 N ATOM 716 CA ARG A 47 -10.463 4.149 -4.510 1.00 23.12 C ATOM 717 C ARG A 47 -9.693 3.008 -5.192 1.00 33.52 C ATOM 718 O ARG A 47 -9.499 3.063 -6.401 1.00 32.32 O ATOM 719 CB ARG A 47 -9.712 5.495 -4.571 1.00 2.41 C ATOM 720 CG ARG A 47 -10.493 6.693 -3.979 1.00 3.25 C ATOM 721 CD ARG A 47 -11.365 7.549 -4.913 1.00 44.00 C ATOM 722 NE ARG A 47 -12.240 6.780 -5.816 1.00 31.24 N ATOM 723 CZ ARG A 47 -12.801 7.237 -6.944 1.00 52.30 C ATOM 724 NH1 ARG A 47 -12.711 8.509 -7.321 1.00 43.21 N ATOM 725 NH2 ARG A 47 -13.467 6.390 -7.714 1.00 72.21 N ATOM 0 H ARG A 47 -10.269 4.244 -2.424 1.00 4.11 H new ATOM 0 HA ARG A 47 -11.382 4.292 -5.078 1.00 23.12 H new ATOM 0 HB2 ARG A 47 -8.767 5.394 -4.037 1.00 2.41 H new ATOM 0 HB3 ARG A 47 -9.469 5.714 -5.611 1.00 2.41 H new ATOM 0 HG2 ARG A 47 -11.137 6.308 -3.189 1.00 3.25 H new ATOM 0 HG3 ARG A 47 -9.769 7.356 -3.505 1.00 3.25 H new ATOM 0 HD2 ARG A 47 -11.984 8.210 -4.306 1.00 44.00 H new ATOM 0 HD3 ARG A 47 -10.714 8.184 -5.514 1.00 44.00 H new ATOM 0 HE ARG A 47 -12.436 5.813 -5.559 1.00 31.24 H new ATOM 0 HH11 ARG A 47 -12.200 9.177 -6.744 1.00 43.21 H new ATOM 0 HH12 ARG A 47 -13.153 8.817 -8.187 1.00 43.21 H new ATOM 0 HH21 ARG A 47 -13.546 5.409 -7.444 1.00 72.21 H new ATOM 0 HH22 ARG A 47 -13.901 6.718 -8.577 1.00 72.21 H new ATOM 739 N GLY A 48 -9.213 1.996 -4.462 1.00 12.35 N ATOM 740 CA GLY A 48 -8.640 0.792 -5.048 1.00 60.23 C ATOM 741 C GLY A 48 -7.121 0.834 -5.223 1.00 31.34 C ATOM 742 O GLY A 48 -6.483 -0.210 -5.362 1.00 21.31 O ATOM 0 H GLY A 48 -9.214 1.995 -3.442 1.00 12.35 H new ATOM 0 HA2 GLY A 48 -8.897 -0.061 -4.420 1.00 60.23 H new ATOM 0 HA3 GLY A 48 -9.101 0.622 -6.021 1.00 60.23 H new ATOM 746 N PHE A 49 -6.513 2.011 -5.126 1.00 61.13 N ATOM 747 CA PHE A 49 -5.085 2.193 -4.907 1.00 72.31 C ATOM 748 C PHE A 49 -4.932 2.983 -3.606 1.00 22.21 C ATOM 749 O PHE A 49 -5.903 3.573 -3.120 1.00 20.11 O ATOM 750 CB PHE A 49 -4.418 2.842 -6.134 1.00 13.32 C ATOM 751 CG PHE A 49 -5.058 4.129 -6.620 1.00 40.20 C ATOM 752 CD1 PHE A 49 -4.414 5.361 -6.391 1.00 34.23 C ATOM 753 CD2 PHE A 49 -6.286 4.095 -7.312 1.00 11.32 C ATOM 754 CE1 PHE A 49 -5.021 6.558 -6.808 1.00 42.33 C ATOM 755 CE2 PHE A 49 -6.907 5.289 -7.708 1.00 1.02 C ATOM 756 CZ PHE A 49 -6.278 6.517 -7.439 1.00 14.35 C ATOM 0 H PHE A 49 -7.019 2.894 -5.200 1.00 61.13 H new ATOM 0 HA PHE A 49 -4.562 1.243 -4.794 1.00 72.31 H new ATOM 0 HB2 PHE A 49 -3.374 3.044 -5.894 1.00 13.32 H new ATOM 0 HB3 PHE A 49 -4.424 2.122 -6.952 1.00 13.32 H new ATOM 0 HD1 PHE A 49 -3.455 5.386 -5.895 1.00 34.23 H new ATOM 0 HD2 PHE A 49 -6.750 3.146 -7.538 1.00 11.32 H new ATOM 0 HE1 PHE A 49 -4.526 7.504 -6.645 1.00 42.33 H new ATOM 0 HE2 PHE A 49 -7.860 5.265 -8.215 1.00 1.02 H new ATOM 0 HZ PHE A 49 -6.765 7.439 -7.720 1.00 14.35 H new ATOM 766 N ALA A 50 -3.761 2.938 -2.978 1.00 51.14 N ATOM 767 CA ALA A 50 -3.478 3.597 -1.706 1.00 34.12 C ATOM 768 C ALA A 50 -2.048 4.110 -1.724 1.00 63.32 C ATOM 769 O ALA A 50 -1.221 3.564 -2.448 1.00 74.24 O ATOM 770 CB ALA A 50 -3.684 2.612 -0.548 1.00 71.52 C ATOM 0 H ALA A 50 -2.960 2.428 -3.350 1.00 51.14 H new ATOM 0 HA ALA A 50 -4.159 4.436 -1.564 1.00 34.12 H new ATOM 0 HB1 ALA A 50 -3.471 3.112 0.397 1.00 71.52 H new ATOM 0 HB2 ALA A 50 -4.716 2.261 -0.548 1.00 71.52 H new ATOM 0 HB3 ALA A 50 -3.012 1.763 -0.669 1.00 71.52 H new ATOM 776 N PHE A 51 -1.740 5.107 -0.904 1.00 2.43 N ATOM 777 CA PHE A 51 -0.428 5.702 -0.774 1.00 44.14 C ATOM 778 C PHE A 51 0.156 5.246 0.548 1.00 53.24 C ATOM 779 O PHE A 51 -0.570 4.988 1.508 1.00 23.41 O ATOM 780 CB PHE A 51 -0.559 7.230 -0.764 1.00 42.32 C ATOM 781 CG PHE A 51 -1.231 7.838 -1.980 1.00 43.00 C ATOM 782 CD1 PHE A 51 -0.821 7.473 -3.276 1.00 11.12 C ATOM 783 CD2 PHE A 51 -2.257 8.788 -1.816 1.00 60.12 C ATOM 784 CE1 PHE A 51 -1.438 8.048 -4.399 1.00 35.55 C ATOM 785 CE2 PHE A 51 -2.869 9.366 -2.940 1.00 1.35 C ATOM 786 CZ PHE A 51 -2.459 8.994 -4.230 1.00 24.23 C ATOM 0 H PHE A 51 -2.431 5.537 -0.288 1.00 2.43 H new ATOM 0 HA PHE A 51 0.211 5.403 -1.605 1.00 44.14 H new ATOM 0 HB2 PHE A 51 -1.120 7.523 0.123 1.00 42.32 H new ATOM 0 HB3 PHE A 51 0.437 7.662 -0.668 1.00 42.32 H new ATOM 0 HD1 PHE A 51 -0.030 6.749 -3.407 1.00 11.12 H new ATOM 0 HD2 PHE A 51 -2.574 9.073 -0.824 1.00 60.12 H new ATOM 0 HE1 PHE A 51 -1.126 7.762 -5.393 1.00 35.55 H new ATOM 0 HE2 PHE A 51 -3.654 10.096 -2.812 1.00 1.35 H new ATOM 0 HZ PHE A 51 -2.931 9.437 -5.094 1.00 24.23 H new ATOM 796 N ILE A 52 1.472 5.225 0.596 1.00 63.24 N ATOM 797 CA ILE A 52 2.298 4.902 1.741 1.00 24.41 C ATOM 798 C ILE A 52 3.375 5.973 1.834 1.00 63.24 C ATOM 799 O ILE A 52 4.051 6.264 0.843 1.00 15.42 O ATOM 800 CB ILE A 52 2.880 3.476 1.610 1.00 61.43 C ATOM 801 CG1 ILE A 52 1.775 2.407 1.419 1.00 74.54 C ATOM 802 CG2 ILE A 52 3.842 3.082 2.751 1.00 1.13 C ATOM 803 CD1 ILE A 52 2.298 0.983 1.199 1.00 52.40 C ATOM 0 H ILE A 52 2.034 5.450 -0.225 1.00 63.24 H new ATOM 0 HA ILE A 52 1.716 4.897 2.663 1.00 24.41 H new ATOM 0 HB ILE A 52 3.484 3.505 0.703 1.00 61.43 H new ATOM 0 HG12 ILE A 52 1.128 2.411 2.296 1.00 74.54 H new ATOM 0 HG13 ILE A 52 1.158 2.689 0.566 1.00 74.54 H new ATOM 0 HG21 ILE A 52 4.207 2.068 2.586 1.00 1.13 H new ATOM 0 HG22 ILE A 52 4.685 3.772 2.771 1.00 1.13 H new ATOM 0 HG23 ILE A 52 3.314 3.127 3.704 1.00 1.13 H new ATOM 0 HD11 ILE A 52 1.456 0.301 1.075 1.00 52.40 H new ATOM 0 HD12 ILE A 52 2.920 0.958 0.304 1.00 52.40 H new ATOM 0 HD13 ILE A 52 2.890 0.675 2.061 1.00 52.40 H new ATOM 815 N GLN A 53 3.514 6.564 3.020 1.00 73.20 N ATOM 816 CA GLN A 53 4.596 7.474 3.358 1.00 60.40 C ATOM 817 C GLN A 53 5.537 6.694 4.264 1.00 34.24 C ATOM 818 O GLN A 53 5.109 6.131 5.275 1.00 34.35 O ATOM 819 CB GLN A 53 4.073 8.738 4.067 1.00 24.55 C ATOM 820 CG GLN A 53 3.675 9.881 3.126 1.00 40.13 C ATOM 821 CD GLN A 53 2.478 9.521 2.263 1.00 4.01 C ATOM 822 OE1 GLN A 53 1.328 9.693 2.656 1.00 35.21 O ATOM 823 NE2 GLN A 53 2.701 8.992 1.076 1.00 4.03 N ATOM 0 H GLN A 53 2.859 6.417 3.788 1.00 73.20 H new ATOM 0 HA GLN A 53 5.104 7.822 2.459 1.00 60.40 H new ATOM 0 HB2 GLN A 53 3.209 8.467 4.673 1.00 24.55 H new ATOM 0 HB3 GLN A 53 4.841 9.099 4.751 1.00 24.55 H new ATOM 0 HG2 GLN A 53 3.444 10.769 3.713 1.00 40.13 H new ATOM 0 HG3 GLN A 53 4.520 10.134 2.486 1.00 40.13 H new ATOM 0 HE21 GLN A 53 3.658 8.850 0.752 1.00 4.03 H new ATOM 0 HE22 GLN A 53 1.917 8.724 0.481 1.00 4.03 H new ATOM 832 N LEU A 54 6.811 6.661 3.899 1.00 3.12 N ATOM 833 CA LEU A 54 7.905 6.099 4.676 1.00 64.54 C ATOM 834 C LEU A 54 9.077 7.078 4.587 1.00 54.41 C ATOM 835 O LEU A 54 9.025 8.032 3.805 1.00 12.33 O ATOM 836 CB LEU A 54 8.260 4.704 4.122 1.00 20.52 C ATOM 837 CG LEU A 54 7.446 3.534 4.706 1.00 43.00 C ATOM 838 CD1 LEU A 54 7.868 2.239 4.002 1.00 34.42 C ATOM 839 CD2 LEU A 54 7.649 3.383 6.219 1.00 43.02 C ATOM 0 H LEU A 54 7.124 7.045 3.008 1.00 3.12 H new ATOM 0 HA LEU A 54 7.636 5.965 5.724 1.00 64.54 H new ATOM 0 HB2 LEU A 54 8.123 4.716 3.041 1.00 20.52 H new ATOM 0 HB3 LEU A 54 9.318 4.517 4.307 1.00 20.52 H new ATOM 0 HG LEU A 54 6.389 3.741 4.539 1.00 43.00 H new ATOM 0 HD11 LEU A 54 7.298 1.403 4.407 1.00 34.42 H new ATOM 0 HD12 LEU A 54 7.674 2.326 2.933 1.00 34.42 H new ATOM 0 HD13 LEU A 54 8.932 2.066 4.165 1.00 34.42 H new ATOM 0 HD21 LEU A 54 7.055 2.545 6.584 1.00 43.02 H new ATOM 0 HD22 LEU A 54 8.703 3.199 6.428 1.00 43.02 H new ATOM 0 HD23 LEU A 54 7.334 4.298 6.721 1.00 43.02 H new ATOM 851 N SER A 55 10.129 6.879 5.387 1.00 73.10 N ATOM 852 CA SER A 55 11.356 7.639 5.182 1.00 31.32 C ATOM 853 C SER A 55 11.965 7.244 3.837 1.00 41.03 C ATOM 854 O SER A 55 11.704 6.158 3.322 1.00 52.34 O ATOM 855 CB SER A 55 12.356 7.377 6.315 1.00 43.21 C ATOM 856 OG SER A 55 13.454 8.273 6.240 1.00 41.30 O ATOM 0 H SER A 55 10.154 6.216 6.161 1.00 73.10 H new ATOM 0 HA SER A 55 11.122 8.704 5.183 1.00 31.32 H new ATOM 0 HB2 SER A 55 11.857 7.487 7.278 1.00 43.21 H new ATOM 0 HB3 SER A 55 12.716 6.350 6.258 1.00 43.21 H new ATOM 0 HG SER A 55 14.078 8.088 6.973 1.00 41.30 H new ATOM 862 N THR A 56 12.863 8.093 3.349 1.00 44.12 N ATOM 863 CA THR A 56 13.699 7.920 2.176 1.00 72.30 C ATOM 864 C THR A 56 14.322 6.519 2.159 1.00 73.40 C ATOM 865 O THR A 56 14.187 5.775 1.191 1.00 35.44 O ATOM 866 CB THR A 56 14.739 9.063 2.196 1.00 1.31 C ATOM 867 OG1 THR A 56 14.127 10.277 2.625 1.00 21.14 O ATOM 868 CG2 THR A 56 15.430 9.311 0.855 1.00 23.54 C ATOM 0 H THR A 56 13.035 8.990 3.803 1.00 44.12 H new ATOM 0 HA THR A 56 13.125 7.983 1.251 1.00 72.30 H new ATOM 0 HB THR A 56 15.510 8.738 2.895 1.00 1.31 H new ATOM 0 HG1 THR A 56 14.795 10.994 2.636 1.00 21.14 H new ATOM 0 HG21 THR A 56 16.143 10.129 0.959 1.00 23.54 H new ATOM 0 HG22 THR A 56 15.956 8.408 0.544 1.00 23.54 H new ATOM 0 HG23 THR A 56 14.684 9.573 0.104 1.00 23.54 H new ATOM 876 N ILE A 57 14.963 6.138 3.268 1.00 52.04 N ATOM 877 CA ILE A 57 15.626 4.849 3.394 1.00 21.34 C ATOM 878 C ILE A 57 14.571 3.746 3.409 1.00 23.11 C ATOM 879 O ILE A 57 14.681 2.780 2.661 1.00 54.40 O ATOM 880 CB ILE A 57 16.503 4.796 4.662 1.00 53.01 C ATOM 881 CG1 ILE A 57 17.502 5.970 4.674 1.00 20.55 C ATOM 882 CG2 ILE A 57 17.255 3.460 4.683 1.00 42.22 C ATOM 883 CD1 ILE A 57 18.348 6.022 5.939 1.00 4.03 C ATOM 0 H ILE A 57 15.033 6.721 4.102 1.00 52.04 H new ATOM 0 HA ILE A 57 16.288 4.701 2.541 1.00 21.34 H new ATOM 0 HB ILE A 57 15.873 4.879 5.547 1.00 53.01 H new ATOM 0 HG12 ILE A 57 18.159 5.889 3.808 1.00 20.55 H new ATOM 0 HG13 ILE A 57 16.954 6.907 4.572 1.00 20.55 H new ATOM 0 HG21 ILE A 57 17.880 3.408 5.575 1.00 42.22 H new ATOM 0 HG22 ILE A 57 16.538 2.639 4.694 1.00 42.22 H new ATOM 0 HG23 ILE A 57 17.883 3.382 3.795 1.00 42.22 H new ATOM 0 HD11 ILE A 57 19.030 6.870 5.886 1.00 4.03 H new ATOM 0 HD12 ILE A 57 17.698 6.133 6.807 1.00 4.03 H new ATOM 0 HD13 ILE A 57 18.922 5.100 6.031 1.00 4.03 H new ATOM 895 N GLU A 58 13.581 3.877 4.294 1.00 60.31 N ATOM 896 CA GLU A 58 12.637 2.814 4.604 1.00 33.21 C ATOM 897 C GLU A 58 11.860 2.400 3.363 1.00 15.41 C ATOM 898 O GLU A 58 11.713 1.213 3.089 1.00 3.43 O ATOM 899 CB GLU A 58 11.646 3.287 5.667 1.00 34.31 C ATOM 900 CG GLU A 58 12.293 3.515 7.025 1.00 42.41 C ATOM 901 CD GLU A 58 11.221 3.870 8.049 1.00 2.01 C ATOM 902 OE1 GLU A 58 10.569 2.961 8.618 1.00 75.30 O ATOM 903 OE2 GLU A 58 10.994 5.082 8.274 1.00 72.40 O ATOM 0 H GLU A 58 13.415 4.736 4.819 1.00 60.31 H new ATOM 0 HA GLU A 58 13.204 1.960 4.974 1.00 33.21 H new ATOM 0 HB2 GLU A 58 11.179 4.214 5.333 1.00 34.31 H new ATOM 0 HB3 GLU A 58 10.851 2.548 5.769 1.00 34.31 H new ATOM 0 HG2 GLU A 58 12.828 2.619 7.339 1.00 42.41 H new ATOM 0 HG3 GLU A 58 13.027 4.318 6.959 1.00 42.41 H new ATOM 910 N ALA A 59 11.352 3.396 2.635 1.00 34.15 N ATOM 911 CA ALA A 59 10.594 3.209 1.413 1.00 20.23 C ATOM 912 C ALA A 59 11.443 2.442 0.411 1.00 0.41 C ATOM 913 O ALA A 59 11.028 1.383 -0.053 1.00 2.34 O ATOM 914 CB ALA A 59 10.205 4.566 0.830 1.00 13.04 C ATOM 0 H ALA A 59 11.463 4.377 2.892 1.00 34.15 H new ATOM 0 HA ALA A 59 9.687 2.645 1.630 1.00 20.23 H new ATOM 0 HB1 ALA A 59 9.636 4.418 -0.088 1.00 13.04 H new ATOM 0 HB2 ALA A 59 9.596 5.111 1.551 1.00 13.04 H new ATOM 0 HB3 ALA A 59 11.106 5.139 0.610 1.00 13.04 H new ATOM 920 N ALA A 60 12.626 2.984 0.103 1.00 52.23 N ATOM 921 CA ALA A 60 13.548 2.398 -0.844 1.00 52.43 C ATOM 922 C ALA A 60 13.844 0.957 -0.446 1.00 13.04 C ATOM 923 O ALA A 60 13.542 0.046 -1.205 1.00 75.14 O ATOM 924 CB ALA A 60 14.823 3.242 -0.923 1.00 12.03 C ATOM 0 H ALA A 60 12.964 3.853 0.516 1.00 52.23 H new ATOM 0 HA ALA A 60 13.101 2.385 -1.838 1.00 52.43 H new ATOM 0 HB1 ALA A 60 15.512 2.794 -1.639 1.00 12.03 H new ATOM 0 HB2 ALA A 60 14.571 4.252 -1.246 1.00 12.03 H new ATOM 0 HB3 ALA A 60 15.294 3.282 0.059 1.00 12.03 H new ATOM 930 N GLN A 61 14.417 0.734 0.738 1.00 34.52 N ATOM 931 CA GLN A 61 14.864 -0.579 1.182 1.00 60.31 C ATOM 932 C GLN A 61 13.718 -1.586 1.167 1.00 12.34 C ATOM 933 O GLN A 61 13.891 -2.659 0.598 1.00 31.52 O ATOM 934 CB GLN A 61 15.538 -0.490 2.559 1.00 31.14 C ATOM 935 CG GLN A 61 16.887 0.239 2.439 1.00 43.03 C ATOM 936 CD GLN A 61 17.729 0.279 3.711 1.00 41.20 C ATOM 937 OE1 GLN A 61 18.940 0.489 3.635 1.00 22.21 O ATOM 938 NE2 GLN A 61 17.158 0.121 4.887 1.00 51.13 N ATOM 0 H GLN A 61 14.584 1.473 1.421 1.00 34.52 H new ATOM 0 HA GLN A 61 15.613 -0.941 0.478 1.00 60.31 H new ATOM 0 HB2 GLN A 61 14.890 0.040 3.257 1.00 31.14 H new ATOM 0 HB3 GLN A 61 15.691 -1.491 2.963 1.00 31.14 H new ATOM 0 HG2 GLN A 61 17.470 -0.241 1.653 1.00 43.03 H new ATOM 0 HG3 GLN A 61 16.699 1.263 2.116 1.00 43.03 H new ATOM 0 HE21 GLN A 61 16.155 -0.053 4.948 1.00 51.13 H new ATOM 0 HE22 GLN A 61 17.719 0.172 5.737 1.00 51.13 H new ATOM 947 N LEU A 62 12.546 -1.253 1.715 1.00 12.11 N ATOM 948 CA LEU A 62 11.387 -2.141 1.670 1.00 43.31 C ATOM 949 C LEU A 62 11.046 -2.497 0.228 1.00 54.01 C ATOM 950 O LEU A 62 10.859 -3.673 -0.096 1.00 14.33 O ATOM 951 CB LEU A 62 10.206 -1.484 2.396 1.00 55.40 C ATOM 952 CG LEU A 62 8.917 -2.320 2.495 1.00 74.20 C ATOM 953 CD1 LEU A 62 8.052 -2.308 1.233 1.00 63.33 C ATOM 954 CD2 LEU A 62 9.157 -3.763 2.962 1.00 54.12 C ATOM 0 H LEU A 62 12.377 -0.370 2.197 1.00 12.11 H new ATOM 0 HA LEU A 62 11.620 -3.074 2.184 1.00 43.31 H new ATOM 0 HB2 LEU A 62 10.525 -1.226 3.406 1.00 55.40 H new ATOM 0 HB3 LEU A 62 9.969 -0.549 1.888 1.00 55.40 H new ATOM 0 HG LEU A 62 8.350 -1.805 3.270 1.00 74.20 H new ATOM 0 HD11 LEU A 62 7.166 -2.922 1.393 1.00 63.33 H new ATOM 0 HD12 LEU A 62 7.749 -1.285 1.009 1.00 63.33 H new ATOM 0 HD13 LEU A 62 8.624 -2.708 0.396 1.00 63.33 H new ATOM 0 HD21 LEU A 62 8.206 -4.293 3.009 1.00 54.12 H new ATOM 0 HD22 LEU A 62 9.820 -4.268 2.259 1.00 54.12 H new ATOM 0 HD23 LEU A 62 9.616 -3.754 3.950 1.00 54.12 H new ATOM 966 N LEU A 63 10.981 -1.494 -0.646 1.00 43.44 N ATOM 967 CA LEU A 63 10.642 -1.700 -2.042 1.00 11.22 C ATOM 968 C LEU A 63 11.694 -2.585 -2.722 1.00 60.50 C ATOM 969 O LEU A 63 11.337 -3.383 -3.592 1.00 62.33 O ATOM 970 CB LEU A 63 10.534 -0.337 -2.741 1.00 73.11 C ATOM 971 CG LEU A 63 10.027 -0.442 -4.193 1.00 32.21 C ATOM 972 CD1 LEU A 63 8.547 -0.052 -4.280 1.00 72.42 C ATOM 973 CD2 LEU A 63 10.898 0.419 -5.108 1.00 61.33 C ATOM 0 H LEU A 63 11.162 -0.520 -0.402 1.00 43.44 H new ATOM 0 HA LEU A 63 9.682 -2.212 -2.114 1.00 11.22 H new ATOM 0 HB2 LEU A 63 9.860 0.304 -2.172 1.00 73.11 H new ATOM 0 HB3 LEU A 63 11.512 0.145 -2.738 1.00 73.11 H new ATOM 0 HG LEU A 63 10.105 -1.476 -4.528 1.00 32.21 H new ATOM 0 HD11 LEU A 63 8.210 -0.133 -5.313 1.00 72.42 H new ATOM 0 HD12 LEU A 63 7.957 -0.720 -3.652 1.00 72.42 H new ATOM 0 HD13 LEU A 63 8.420 0.975 -3.937 1.00 72.42 H new ATOM 0 HD21 LEU A 63 10.536 0.342 -6.133 1.00 61.33 H new ATOM 0 HD22 LEU A 63 10.850 1.458 -4.784 1.00 61.33 H new ATOM 0 HD23 LEU A 63 11.930 0.072 -5.060 1.00 61.33 H new ATOM 985 N GLN A 64 12.977 -2.467 -2.354 1.00 41.13 N ATOM 986 CA GLN A 64 14.015 -3.343 -2.879 1.00 3.31 C ATOM 987 C GLN A 64 13.719 -4.784 -2.471 1.00 24.12 C ATOM 988 O GLN A 64 13.616 -5.649 -3.342 1.00 34.13 O ATOM 989 CB GLN A 64 15.441 -2.968 -2.423 1.00 44.33 C ATOM 990 CG GLN A 64 16.000 -1.573 -2.745 1.00 13.02 C ATOM 991 CD GLN A 64 16.237 -1.246 -4.213 1.00 1.24 C ATOM 992 OE1 GLN A 64 15.208 -1.222 -5.034 1.00 34.55 O flip ATOM 993 NE2 GLN A 64 17.354 -0.908 -4.611 1.00 44.34 N flip ATOM 0 H GLN A 64 13.315 -1.768 -1.692 1.00 41.13 H new ATOM 0 HA GLN A 64 13.995 -3.226 -3.963 1.00 3.31 H new ATOM 0 HB2 GLN A 64 15.481 -3.093 -1.341 1.00 44.33 H new ATOM 0 HB3 GLN A 64 16.124 -3.700 -2.854 1.00 44.33 H new ATOM 0 HG2 GLN A 64 15.313 -0.831 -2.339 1.00 13.02 H new ATOM 0 HG3 GLN A 64 16.945 -1.456 -2.215 1.00 13.02 H new ATOM 0 HE21 GLN A 64 18.150 -0.927 -3.973 1.00 44.34 H new ATOM 0 HE22 GLN A 64 17.482 -0.609 -5.578 1.00 44.34 H new ATOM 1002 N ILE A 65 13.545 -5.026 -1.163 1.00 31.51 N ATOM 1003 CA ILE A 65 13.168 -6.321 -0.599 1.00 41.34 C ATOM 1004 C ILE A 65 12.040 -6.936 -1.421 1.00 32.14 C ATOM 1005 O ILE A 65 12.230 -8.009 -1.988 1.00 60.24 O ATOM 1006 CB ILE A 65 12.898 -6.229 0.933 1.00 72.40 C ATOM 1007 CG1 ILE A 65 14.123 -5.692 1.708 1.00 11.05 C ATOM 1008 CG2 ILE A 65 12.432 -7.548 1.572 1.00 42.12 C ATOM 1009 CD1 ILE A 65 13.810 -5.196 3.126 1.00 42.02 C ATOM 0 H ILE A 65 13.667 -4.304 -0.453 1.00 31.51 H new ATOM 0 HA ILE A 65 14.006 -7.014 -0.674 1.00 41.34 H new ATOM 0 HB ILE A 65 12.074 -5.521 1.015 1.00 72.40 H new ATOM 0 HG12 ILE A 65 14.873 -6.481 1.770 1.00 11.05 H new ATOM 0 HG13 ILE A 65 14.567 -4.874 1.140 1.00 11.05 H new ATOM 0 HG21 ILE A 65 12.267 -7.397 2.639 1.00 42.12 H new ATOM 0 HG22 ILE A 65 11.503 -7.871 1.103 1.00 42.12 H new ATOM 0 HG23 ILE A 65 13.196 -8.312 1.428 1.00 42.12 H new ATOM 0 HD11 ILE A 65 14.726 -4.837 3.596 1.00 42.02 H new ATOM 0 HD12 ILE A 65 13.085 -4.383 3.076 1.00 42.02 H new ATOM 0 HD13 ILE A 65 13.396 -6.015 3.715 1.00 42.02 H new ATOM 1021 N LEU A 66 10.899 -6.243 -1.539 1.00 13.43 N ATOM 1022 CA LEU A 66 9.692 -6.792 -2.150 1.00 21.23 C ATOM 1023 C LEU A 66 9.768 -7.060 -3.650 1.00 24.44 C ATOM 1024 O LEU A 66 8.887 -7.748 -4.168 1.00 21.52 O ATOM 1025 CB LEU A 66 8.498 -5.854 -1.890 1.00 11.15 C ATOM 1026 CG LEU A 66 8.033 -5.801 -0.427 1.00 41.30 C ATOM 1027 CD1 LEU A 66 6.704 -5.057 -0.368 1.00 24.12 C ATOM 1028 CD2 LEU A 66 7.814 -7.170 0.204 1.00 14.15 C ATOM 0 H LEU A 66 10.792 -5.283 -1.211 1.00 13.43 H new ATOM 0 HA LEU A 66 9.570 -7.765 -1.674 1.00 21.23 H new ATOM 0 HB2 LEU A 66 8.768 -4.847 -2.208 1.00 11.15 H new ATOM 0 HB3 LEU A 66 7.661 -6.172 -2.512 1.00 11.15 H new ATOM 0 HG LEU A 66 8.828 -5.305 0.130 1.00 41.30 H new ATOM 0 HD11 LEU A 66 6.359 -5.010 0.665 1.00 24.12 H new ATOM 0 HD12 LEU A 66 6.836 -4.046 -0.753 1.00 24.12 H new ATOM 0 HD13 LEU A 66 5.966 -5.582 -0.974 1.00 24.12 H new ATOM 0 HD21 LEU A 66 7.487 -7.047 1.236 1.00 14.15 H new ATOM 0 HD22 LEU A 66 7.051 -7.711 -0.356 1.00 14.15 H new ATOM 0 HD23 LEU A 66 8.747 -7.733 0.184 1.00 14.15 H new ATOM 1040 N GLN A 67 10.760 -6.542 -4.369 1.00 2.04 N ATOM 1041 CA GLN A 67 10.899 -6.837 -5.800 1.00 11.05 C ATOM 1042 C GLN A 67 11.948 -7.916 -6.060 1.00 0.13 C ATOM 1043 O GLN A 67 12.284 -8.211 -7.211 1.00 53.10 O ATOM 1044 CB GLN A 67 11.223 -5.549 -6.560 1.00 73.10 C ATOM 1045 CG GLN A 67 10.065 -4.544 -6.472 1.00 3.41 C ATOM 1046 CD GLN A 67 10.300 -3.303 -7.320 1.00 54.04 C ATOM 1047 OE1 GLN A 67 11.189 -3.236 -8.161 1.00 1.43 O ATOM 1048 NE2 GLN A 67 9.591 -2.230 -7.048 1.00 42.12 N ATOM 0 H GLN A 67 11.476 -5.921 -3.992 1.00 2.04 H new ATOM 0 HA GLN A 67 9.951 -7.233 -6.163 1.00 11.05 H new ATOM 0 HB2 GLN A 67 12.128 -5.101 -6.151 1.00 73.10 H new ATOM 0 HB3 GLN A 67 11.427 -5.782 -7.605 1.00 73.10 H new ATOM 0 HG2 GLN A 67 9.143 -5.029 -6.793 1.00 3.41 H new ATOM 0 HG3 GLN A 67 9.924 -4.248 -5.433 1.00 3.41 H new ATOM 0 HE21 GLN A 67 8.848 -2.273 -6.350 1.00 42.12 H new ATOM 0 HE22 GLN A 67 9.783 -1.355 -7.535 1.00 42.12 H new ATOM 1057 N ALA A 68 12.371 -8.601 -5.003 1.00 23.45 N ATOM 1058 CA ALA A 68 13.426 -9.593 -5.053 1.00 24.22 C ATOM 1059 C ALA A 68 12.959 -10.955 -4.537 1.00 2.05 C ATOM 1060 O ALA A 68 13.798 -11.809 -4.243 1.00 31.41 O ATOM 1061 CB ALA A 68 14.612 -9.056 -4.254 1.00 71.43 C ATOM 0 H ALA A 68 11.978 -8.475 -4.070 1.00 23.45 H new ATOM 0 HA ALA A 68 13.723 -9.761 -6.088 1.00 24.22 H new ATOM 0 HB1 ALA A 68 15.423 -9.783 -4.274 1.00 71.43 H new ATOM 0 HB2 ALA A 68 14.953 -8.119 -4.695 1.00 71.43 H new ATOM 0 HB3 ALA A 68 14.307 -8.881 -3.222 1.00 71.43 H new ATOM 1067 N LEU A 69 11.645 -11.153 -4.392 1.00 40.41 N ATOM 1068 CA LEU A 69 11.075 -12.280 -3.665 1.00 20.24 C ATOM 1069 C LEU A 69 9.721 -12.708 -4.242 1.00 1.01 C ATOM 1070 O LEU A 69 9.307 -12.216 -5.293 1.00 1.13 O ATOM 1071 CB LEU A 69 11.043 -11.953 -2.157 1.00 43.14 C ATOM 1072 CG LEU A 69 10.378 -10.618 -1.776 1.00 20.44 C ATOM 1073 CD1 LEU A 69 8.872 -10.589 -1.973 1.00 20.14 C ATOM 1074 CD2 LEU A 69 10.718 -10.285 -0.329 1.00 31.15 C ATOM 0 H LEU A 69 10.943 -10.525 -4.783 1.00 40.41 H new ATOM 0 HA LEU A 69 11.711 -13.156 -3.791 1.00 20.24 H new ATOM 0 HB2 LEU A 69 10.520 -12.758 -1.641 1.00 43.14 H new ATOM 0 HB3 LEU A 69 12.067 -11.947 -1.784 1.00 43.14 H new ATOM 0 HG LEU A 69 10.778 -9.868 -2.458 1.00 20.44 H new ATOM 0 HD11 LEU A 69 8.486 -9.613 -1.681 1.00 20.14 H new ATOM 0 HD12 LEU A 69 8.639 -10.772 -3.022 1.00 20.14 H new ATOM 0 HD13 LEU A 69 8.410 -11.361 -1.358 1.00 20.14 H new ATOM 0 HD21 LEU A 69 10.250 -9.340 -0.053 1.00 31.15 H new ATOM 0 HD22 LEU A 69 10.349 -11.077 0.323 1.00 31.15 H new ATOM 0 HD23 LEU A 69 11.799 -10.199 -0.220 1.00 31.15 H new ATOM 1086 N HIS A 70 9.061 -13.655 -3.570 1.00 24.54 N ATOM 1087 CA HIS A 70 7.745 -14.195 -3.906 1.00 2.04 C ATOM 1088 C HIS A 70 6.684 -13.096 -4.077 1.00 72.51 C ATOM 1089 O HIS A 70 6.794 -12.024 -3.485 1.00 31.32 O ATOM 1090 CB HIS A 70 7.314 -15.163 -2.787 1.00 40.33 C ATOM 1091 CG HIS A 70 7.795 -16.584 -2.948 1.00 3.01 C ATOM 1092 ND1 HIS A 70 7.171 -17.691 -2.424 1.00 33.35 N ATOM 1093 CD2 HIS A 70 8.879 -17.024 -3.660 1.00 61.24 C ATOM 1094 CE1 HIS A 70 7.848 -18.775 -2.826 1.00 51.31 C ATOM 1095 NE2 HIS A 70 8.887 -18.424 -3.603 1.00 73.22 N ATOM 0 H HIS A 70 9.453 -14.087 -2.733 1.00 24.54 H new ATOM 0 HA HIS A 70 7.824 -14.712 -4.863 1.00 2.04 H new ATOM 0 HB2 HIS A 70 7.679 -14.778 -1.835 1.00 40.33 H new ATOM 0 HB3 HIS A 70 6.225 -15.169 -2.732 1.00 40.33 H new ATOM 0 HD2 HIS A 70 9.599 -16.403 -4.173 1.00 61.24 H new ATOM 0 HE1 HIS A 70 7.594 -19.791 -2.562 1.00 51.31 H new ATOM 0 HE2 HIS A 70 9.549 -19.051 -4.060 1.00 73.22 H new ATOM 1103 N PRO A 71 5.598 -13.358 -4.817 1.00 72.34 N ATOM 1104 CA PRO A 71 4.586 -12.350 -5.077 1.00 32.11 C ATOM 1105 C PRO A 71 3.808 -11.963 -3.808 1.00 53.23 C ATOM 1106 O PRO A 71 3.789 -12.709 -2.817 1.00 64.21 O ATOM 1107 CB PRO A 71 3.666 -12.968 -6.129 1.00 41.03 C ATOM 1108 CG PRO A 71 3.801 -14.461 -5.867 1.00 73.22 C ATOM 1109 CD PRO A 71 5.276 -14.588 -5.516 1.00 14.41 C ATOM 0 HA PRO A 71 5.037 -11.420 -5.424 1.00 32.11 H new ATOM 0 HB2 PRO A 71 2.636 -12.629 -6.014 1.00 41.03 H new ATOM 0 HB3 PRO A 71 3.976 -12.706 -7.141 1.00 41.03 H new ATOM 0 HG2 PRO A 71 3.158 -14.792 -5.052 1.00 73.22 H new ATOM 0 HG3 PRO A 71 3.537 -15.054 -6.742 1.00 73.22 H new ATOM 0 HD2 PRO A 71 5.459 -15.460 -4.888 1.00 14.41 H new ATOM 0 HD3 PRO A 71 5.887 -14.706 -6.411 1.00 14.41 H new ATOM 1117 N PRO A 72 3.105 -10.819 -3.851 1.00 71.30 N ATOM 1118 CA PRO A 72 2.335 -10.318 -2.726 1.00 33.14 C ATOM 1119 C PRO A 72 1.188 -11.259 -2.364 1.00 44.13 C ATOM 1120 O PRO A 72 0.497 -11.811 -3.230 1.00 11.45 O ATOM 1121 CB PRO A 72 1.840 -8.927 -3.129 1.00 52.01 C ATOM 1122 CG PRO A 72 1.920 -8.945 -4.652 1.00 64.31 C ATOM 1123 CD PRO A 72 3.093 -9.862 -4.945 1.00 11.05 C ATOM 0 HA PRO A 72 2.947 -10.259 -1.826 1.00 33.14 H new ATOM 0 HB2 PRO A 72 0.822 -8.748 -2.783 1.00 52.01 H new ATOM 0 HB3 PRO A 72 2.464 -8.141 -2.704 1.00 52.01 H new ATOM 0 HG2 PRO A 72 0.998 -9.321 -5.096 1.00 64.31 H new ATOM 0 HG3 PRO A 72 2.084 -7.946 -5.055 1.00 64.31 H new ATOM 0 HD2 PRO A 72 2.972 -10.362 -5.906 1.00 11.05 H new ATOM 0 HD3 PRO A 72 4.028 -9.304 -4.991 1.00 11.05 H new ATOM 1131 N LEU A 73 0.945 -11.373 -1.063 1.00 13.23 N ATOM 1132 CA LEU A 73 -0.079 -12.188 -0.438 1.00 24.51 C ATOM 1133 C LEU A 73 -1.414 -11.495 -0.666 1.00 53.13 C ATOM 1134 O LEU A 73 -1.545 -10.294 -0.427 1.00 23.53 O ATOM 1135 CB LEU A 73 0.265 -12.325 1.057 1.00 63.14 C ATOM 1136 CG LEU A 73 -0.251 -13.584 1.763 1.00 55.40 C ATOM 1137 CD1 LEU A 73 -1.769 -13.679 1.831 1.00 35.23 C ATOM 1138 CD2 LEU A 73 0.329 -14.864 1.155 1.00 74.14 C ATOM 0 H LEU A 73 1.498 -10.862 -0.375 1.00 13.23 H new ATOM 0 HA LEU A 73 -0.135 -13.192 -0.859 1.00 24.51 H new ATOM 0 HB2 LEU A 73 1.349 -12.295 1.162 1.00 63.14 H new ATOM 0 HB3 LEU A 73 -0.130 -11.454 1.580 1.00 63.14 H new ATOM 0 HG LEU A 73 0.104 -13.487 2.789 1.00 55.40 H new ATOM 0 HD11 LEU A 73 -2.053 -14.597 2.345 1.00 35.23 H new ATOM 0 HD12 LEU A 73 -2.163 -12.821 2.376 1.00 35.23 H new ATOM 0 HD13 LEU A 73 -2.179 -13.687 0.821 1.00 35.23 H new ATOM 0 HD21 LEU A 73 -0.064 -15.730 1.687 1.00 74.14 H new ATOM 0 HD22 LEU A 73 0.050 -14.926 0.103 1.00 74.14 H new ATOM 0 HD23 LEU A 73 1.415 -14.848 1.241 1.00 74.14 H new ATOM 1150 N THR A 74 -2.375 -12.197 -1.247 1.00 52.00 N ATOM 1151 CA THR A 74 -3.698 -11.649 -1.545 1.00 21.21 C ATOM 1152 C THR A 74 -4.616 -11.874 -0.339 1.00 33.51 C ATOM 1153 O THR A 74 -4.435 -12.814 0.439 1.00 75.33 O ATOM 1154 CB THR A 74 -4.221 -12.205 -2.879 1.00 32.44 C ATOM 1155 OG1 THR A 74 -5.542 -11.824 -3.156 1.00 3.23 O ATOM 1156 CG2 THR A 74 -4.157 -13.714 -2.995 1.00 75.31 C ATOM 0 H THR A 74 -2.262 -13.171 -1.529 1.00 52.00 H new ATOM 0 HA THR A 74 -3.655 -10.570 -1.695 1.00 21.21 H new ATOM 0 HB THR A 74 -3.538 -11.762 -3.604 1.00 32.44 H new ATOM 0 HG1 THR A 74 -5.830 -12.231 -4.000 1.00 3.23 H new ATOM 0 HG21 THR A 74 -4.545 -14.021 -3.966 1.00 75.31 H new ATOM 0 HG22 THR A 74 -3.122 -14.043 -2.897 1.00 75.31 H new ATOM 0 HG23 THR A 74 -4.757 -14.165 -2.205 1.00 75.31 H new ATOM 1164 N ILE A 75 -5.596 -10.985 -0.166 1.00 34.35 N ATOM 1165 CA ILE A 75 -6.392 -10.876 1.056 1.00 62.12 C ATOM 1166 C ILE A 75 -7.896 -10.871 0.731 1.00 42.33 C ATOM 1167 O ILE A 75 -8.695 -10.469 1.562 1.00 73.13 O ATOM 1168 CB ILE A 75 -5.922 -9.639 1.878 1.00 52.32 C ATOM 1169 CG1 ILE A 75 -4.390 -9.378 1.898 1.00 13.22 C ATOM 1170 CG2 ILE A 75 -6.346 -9.775 3.354 1.00 24.43 C ATOM 1171 CD1 ILE A 75 -3.868 -8.437 0.812 1.00 23.41 C ATOM 0 H ILE A 75 -5.862 -10.310 -0.883 1.00 34.35 H new ATOM 0 HA ILE A 75 -6.233 -11.752 1.685 1.00 62.12 H new ATOM 0 HB ILE A 75 -6.399 -8.806 1.362 1.00 52.32 H new ATOM 0 HG12 ILE A 75 -4.122 -8.966 2.871 1.00 13.22 H new ATOM 0 HG13 ILE A 75 -3.875 -10.334 1.804 1.00 13.22 H new ATOM 0 HG21 ILE A 75 -6.009 -8.901 3.911 1.00 24.43 H new ATOM 0 HG22 ILE A 75 -7.432 -9.847 3.415 1.00 24.43 H new ATOM 0 HG23 ILE A 75 -5.898 -10.673 3.780 1.00 24.43 H new ATOM 0 HD11 ILE A 75 -2.789 -8.324 0.917 1.00 23.41 H new ATOM 0 HD12 ILE A 75 -4.096 -8.852 -0.170 1.00 23.41 H new ATOM 0 HD13 ILE A 75 -4.347 -7.463 0.914 1.00 23.41 H new ATOM 1183 N ASP A 76 -8.288 -11.243 -0.492 1.00 12.04 N ATOM 1184 CA ASP A 76 -9.674 -11.253 -1.021 1.00 43.01 C ATOM 1185 C ASP A 76 -9.616 -11.630 -2.518 1.00 53.24 C ATOM 1186 O ASP A 76 -10.328 -11.068 -3.356 1.00 40.21 O ATOM 1187 CB ASP A 76 -10.376 -9.884 -0.800 1.00 11.43 C ATOM 1188 CG ASP A 76 -11.652 -9.873 0.051 1.00 43.54 C ATOM 1189 OD1 ASP A 76 -11.535 -10.046 1.288 1.00 42.14 O ATOM 1190 OD2 ASP A 76 -12.711 -9.407 -0.429 1.00 3.43 O ATOM 0 H ASP A 76 -7.614 -11.566 -1.187 1.00 12.04 H new ATOM 0 HA ASP A 76 -10.270 -11.990 -0.482 1.00 43.01 H new ATOM 0 HB2 ASP A 76 -9.657 -9.208 -0.337 1.00 11.43 H new ATOM 0 HB3 ASP A 76 -10.620 -9.469 -1.778 1.00 11.43 H new ATOM 1195 N GLY A 77 -8.625 -12.436 -2.932 1.00 14.44 N ATOM 1196 CA GLY A 77 -8.442 -12.769 -4.341 1.00 54.13 C ATOM 1197 C GLY A 77 -8.135 -11.538 -5.203 1.00 21.35 C ATOM 1198 O GLY A 77 -8.403 -11.544 -6.404 1.00 24.25 O ATOM 0 H GLY A 77 -7.943 -12.865 -2.307 1.00 14.44 H new ATOM 0 HA2 GLY A 77 -7.628 -13.488 -4.438 1.00 54.13 H new ATOM 0 HA3 GLY A 77 -9.343 -13.255 -4.716 1.00 54.13 H new ATOM 1202 N LYS A 78 -7.581 -10.475 -4.612 1.00 2.41 N ATOM 1203 CA LYS A 78 -7.061 -9.288 -5.265 1.00 3.03 C ATOM 1204 C LYS A 78 -5.542 -9.236 -5.089 1.00 40.40 C ATOM 1205 O LYS A 78 -5.056 -8.720 -4.083 1.00 73.30 O ATOM 1206 CB LYS A 78 -7.758 -8.039 -4.711 1.00 61.53 C ATOM 1207 CG LYS A 78 -8.288 -8.082 -3.275 1.00 32.42 C ATOM 1208 CD LYS A 78 -7.303 -8.312 -2.122 1.00 44.43 C ATOM 1209 CE LYS A 78 -6.584 -7.036 -1.668 1.00 54.20 C ATOM 1210 NZ LYS A 78 -7.318 -6.304 -0.600 1.00 54.04 N ATOM 0 H LYS A 78 -7.481 -10.426 -3.598 1.00 2.41 H new ATOM 0 HA LYS A 78 -7.269 -9.323 -6.334 1.00 3.03 H new ATOM 0 HB2 LYS A 78 -7.057 -7.208 -4.782 1.00 61.53 H new ATOM 0 HB3 LYS A 78 -8.596 -7.806 -5.368 1.00 61.53 H new ATOM 0 HG2 LYS A 78 -8.801 -7.139 -3.086 1.00 32.42 H new ATOM 0 HG3 LYS A 78 -9.040 -8.869 -3.226 1.00 32.42 H new ATOM 0 HD2 LYS A 78 -7.841 -8.738 -1.275 1.00 44.43 H new ATOM 0 HD3 LYS A 78 -6.560 -9.048 -2.430 1.00 44.43 H new ATOM 0 HE2 LYS A 78 -5.589 -7.295 -1.305 1.00 54.20 H new ATOM 0 HE3 LYS A 78 -6.449 -6.377 -2.526 1.00 54.20 H new ATOM 0 HZ1 LYS A 78 -6.639 -5.800 0.005 1.00 54.04 H new ATOM 0 HZ2 LYS A 78 -7.970 -5.620 -1.033 1.00 54.04 H new ATOM 0 HZ3 LYS A 78 -7.859 -6.980 -0.024 1.00 54.04 H new ATOM 1224 N THR A 79 -4.774 -9.783 -6.024 1.00 41.21 N ATOM 1225 CA THR A 79 -3.330 -9.730 -5.880 1.00 73.44 C ATOM 1226 C THR A 79 -2.899 -8.260 -5.935 1.00 64.43 C ATOM 1227 O THR A 79 -3.220 -7.577 -6.906 1.00 72.11 O ATOM 1228 CB THR A 79 -2.617 -10.568 -6.944 1.00 34.54 C ATOM 1229 OG1 THR A 79 -3.365 -11.701 -7.370 1.00 75.44 O ATOM 1230 CG2 THR A 79 -1.303 -11.066 -6.349 1.00 72.32 C ATOM 0 H THR A 79 -5.115 -10.253 -6.863 1.00 41.21 H new ATOM 0 HA THR A 79 -3.044 -10.163 -4.921 1.00 73.44 H new ATOM 0 HB THR A 79 -2.472 -9.930 -7.816 1.00 34.54 H new ATOM 0 HG1 THR A 79 -2.857 -12.192 -8.049 1.00 75.44 H new ATOM 0 HG21 THR A 79 -0.774 -11.667 -7.088 1.00 72.32 H new ATOM 0 HG22 THR A 79 -0.686 -10.214 -6.065 1.00 72.32 H new ATOM 0 HG23 THR A 79 -1.510 -11.673 -5.468 1.00 72.32 H new ATOM 1238 N ILE A 80 -2.245 -7.746 -4.896 1.00 1.14 N ATOM 1239 CA ILE A 80 -1.820 -6.352 -4.829 1.00 73.30 C ATOM 1240 C ILE A 80 -0.816 -6.104 -5.969 1.00 3.45 C ATOM 1241 O ILE A 80 -0.278 -7.036 -6.582 1.00 74.51 O ATOM 1242 CB ILE A 80 -1.271 -6.030 -3.411 1.00 11.15 C ATOM 1243 CG1 ILE A 80 -2.214 -6.464 -2.263 1.00 75.54 C ATOM 1244 CG2 ILE A 80 -0.972 -4.531 -3.197 1.00 55.00 C ATOM 1245 CD1 ILE A 80 -3.617 -5.857 -2.331 1.00 64.30 C ATOM 0 H ILE A 80 -1.994 -8.290 -4.071 1.00 1.14 H new ATOM 0 HA ILE A 80 -2.654 -5.666 -4.976 1.00 73.30 H new ATOM 0 HB ILE A 80 -0.349 -6.610 -3.373 1.00 11.15 H new ATOM 0 HG12 ILE A 80 -2.301 -7.550 -2.272 1.00 75.54 H new ATOM 0 HG13 ILE A 80 -1.758 -6.189 -1.312 1.00 75.54 H new ATOM 0 HG21 ILE A 80 -0.592 -4.376 -2.187 1.00 55.00 H new ATOM 0 HG22 ILE A 80 -0.225 -4.202 -3.920 1.00 55.00 H new ATOM 0 HG23 ILE A 80 -1.887 -3.954 -3.333 1.00 55.00 H new ATOM 0 HD11 ILE A 80 -4.209 -6.215 -1.489 1.00 64.30 H new ATOM 0 HD12 ILE A 80 -3.546 -4.770 -2.289 1.00 64.30 H new ATOM 0 HD13 ILE A 80 -4.097 -6.153 -3.264 1.00 64.30 H new ATOM 1257 N ASN A 81 -0.572 -4.836 -6.288 1.00 35.53 N ATOM 1258 CA ASN A 81 0.525 -4.388 -7.131 1.00 33.34 C ATOM 1259 C ASN A 81 1.174 -3.195 -6.443 1.00 75.42 C ATOM 1260 O ASN A 81 0.519 -2.536 -5.631 1.00 2.03 O ATOM 1261 CB ASN A 81 -0.004 -3.981 -8.509 1.00 71.54 C ATOM 1262 CG ASN A 81 0.347 -4.972 -9.585 1.00 40.22 C ATOM 1263 OD1 ASN A 81 1.013 -4.634 -10.549 1.00 42.44 O ATOM 1264 ND2 ASN A 81 -0.148 -6.190 -9.474 1.00 11.14 N ATOM 0 H ASN A 81 -1.154 -4.068 -5.954 1.00 35.53 H new ATOM 0 HA ASN A 81 1.252 -5.188 -7.273 1.00 33.34 H new ATOM 0 HB2 ASN A 81 -1.088 -3.874 -8.460 1.00 71.54 H new ATOM 0 HB3 ASN A 81 0.401 -3.005 -8.775 1.00 71.54 H new ATOM 0 HD21 ASN A 81 0.023 -6.879 -10.207 1.00 11.14 H new ATOM 0 HD22 ASN A 81 -0.701 -6.443 -8.655 1.00 11.14 H new ATOM 1271 N VAL A 82 2.414 -2.879 -6.814 1.00 52.12 N ATOM 1272 CA VAL A 82 3.216 -1.840 -6.181 1.00 35.23 C ATOM 1273 C VAL A 82 3.590 -0.818 -7.248 1.00 22.31 C ATOM 1274 O VAL A 82 3.951 -1.199 -8.361 1.00 71.44 O ATOM 1275 CB VAL A 82 4.498 -2.449 -5.562 1.00 24.35 C ATOM 1276 CG1 VAL A 82 5.197 -1.453 -4.631 1.00 31.53 C ATOM 1277 CG2 VAL A 82 4.260 -3.730 -4.755 1.00 61.10 C ATOM 0 H VAL A 82 2.897 -3.350 -7.579 1.00 52.12 H new ATOM 0 HA VAL A 82 2.647 -1.366 -5.381 1.00 35.23 H new ATOM 0 HB VAL A 82 5.117 -2.693 -6.425 1.00 24.35 H new ATOM 0 HG11 VAL A 82 6.093 -1.912 -4.213 1.00 31.53 H new ATOM 0 HG12 VAL A 82 5.475 -0.562 -5.194 1.00 31.53 H new ATOM 0 HG13 VAL A 82 4.521 -1.175 -3.822 1.00 31.53 H new ATOM 0 HG21 VAL A 82 5.208 -4.091 -4.357 1.00 61.10 H new ATOM 0 HG22 VAL A 82 3.577 -3.520 -3.932 1.00 61.10 H new ATOM 0 HG23 VAL A 82 3.825 -4.492 -5.402 1.00 61.10 H new ATOM 1287 N GLU A 83 3.637 0.459 -6.888 1.00 61.12 N ATOM 1288 CA GLU A 83 4.478 1.434 -7.559 1.00 75.40 C ATOM 1289 C GLU A 83 5.364 2.108 -6.534 1.00 73.32 C ATOM 1290 O GLU A 83 5.046 2.201 -5.347 1.00 61.54 O ATOM 1291 CB GLU A 83 3.632 2.503 -8.266 1.00 64.54 C ATOM 1292 CG GLU A 83 3.121 2.070 -9.633 1.00 33.21 C ATOM 1293 CD GLU A 83 1.922 2.930 -10.042 1.00 21.31 C ATOM 1294 OE1 GLU A 83 0.806 2.718 -9.520 1.00 21.14 O ATOM 1295 OE2 GLU A 83 2.073 3.846 -10.885 1.00 33.15 O ATOM 0 H GLU A 83 3.090 0.846 -6.119 1.00 61.12 H new ATOM 0 HA GLU A 83 5.078 0.916 -8.307 1.00 75.40 H new ATOM 0 HB2 GLU A 83 2.782 2.758 -7.634 1.00 64.54 H new ATOM 0 HB3 GLU A 83 4.228 3.409 -8.380 1.00 64.54 H new ATOM 0 HG2 GLU A 83 3.915 2.164 -10.373 1.00 33.21 H new ATOM 0 HG3 GLU A 83 2.833 1.019 -9.606 1.00 33.21 H new ATOM 1302 N PHE A 84 6.438 2.668 -7.067 1.00 13.02 N ATOM 1303 CA PHE A 84 7.330 3.583 -6.385 1.00 12.05 C ATOM 1304 C PHE A 84 7.195 4.914 -7.107 1.00 2.25 C ATOM 1305 O PHE A 84 7.811 5.121 -8.159 1.00 1.25 O ATOM 1306 CB PHE A 84 8.752 3.012 -6.417 1.00 2.33 C ATOM 1307 CG PHE A 84 9.792 3.701 -5.549 1.00 40.44 C ATOM 1308 CD1 PHE A 84 9.509 4.056 -4.213 1.00 21.41 C ATOM 1309 CD2 PHE A 84 11.105 3.852 -6.040 1.00 74.51 C ATOM 1310 CE1 PHE A 84 10.531 4.553 -3.384 1.00 13.21 C ATOM 1311 CE2 PHE A 84 12.128 4.329 -5.204 1.00 12.04 C ATOM 1312 CZ PHE A 84 11.841 4.679 -3.873 1.00 60.43 C ATOM 0 H PHE A 84 6.722 2.487 -8.030 1.00 13.02 H new ATOM 0 HA PHE A 84 7.087 3.723 -5.332 1.00 12.05 H new ATOM 0 HB2 PHE A 84 8.703 1.964 -6.120 1.00 2.33 H new ATOM 0 HB3 PHE A 84 9.103 3.035 -7.449 1.00 2.33 H new ATOM 0 HD1 PHE A 84 8.507 3.946 -3.826 1.00 21.41 H new ATOM 0 HD2 PHE A 84 11.326 3.599 -7.066 1.00 74.51 H new ATOM 0 HE1 PHE A 84 10.307 4.839 -2.367 1.00 13.21 H new ATOM 0 HE2 PHE A 84 13.134 4.427 -5.583 1.00 12.04 H new ATOM 0 HZ PHE A 84 12.627 5.044 -3.228 1.00 60.43 H new ATOM 1322 N ALA A 85 6.318 5.789 -6.619 1.00 75.21 N ATOM 1323 CA ALA A 85 6.230 7.163 -7.089 1.00 64.10 C ATOM 1324 C ALA A 85 7.233 7.968 -6.271 1.00 2.33 C ATOM 1325 O ALA A 85 6.872 8.746 -5.392 1.00 24.21 O ATOM 1326 CB ALA A 85 4.801 7.692 -6.965 1.00 52.01 C ATOM 0 H ALA A 85 5.648 5.561 -5.884 1.00 75.21 H new ATOM 0 HA ALA A 85 6.473 7.242 -8.149 1.00 64.10 H new ATOM 0 HB1 ALA A 85 4.762 8.721 -7.323 1.00 52.01 H new ATOM 0 HB2 ALA A 85 4.131 7.074 -7.563 1.00 52.01 H new ATOM 0 HB3 ALA A 85 4.490 7.659 -5.921 1.00 52.01 H new ATOM 1332 N LYS A 86 8.517 7.736 -6.522 1.00 60.54 N ATOM 1333 CA LYS A 86 9.601 8.467 -5.897 1.00 3.25 C ATOM 1334 C LYS A 86 9.791 9.763 -6.674 1.00 60.41 C ATOM 1335 O LYS A 86 10.726 9.892 -7.469 1.00 64.41 O ATOM 1336 CB LYS A 86 10.818 7.535 -5.839 1.00 21.22 C ATOM 1337 CG LYS A 86 12.125 8.144 -5.324 1.00 35.25 C ATOM 1338 CD LYS A 86 12.007 9.062 -4.101 1.00 15.32 C ATOM 1339 CE LYS A 86 13.384 9.258 -3.446 1.00 4.41 C ATOM 1340 NZ LYS A 86 14.362 9.905 -4.348 1.00 11.13 N ATOM 0 H LYS A 86 8.834 7.021 -7.177 1.00 60.54 H new ATOM 0 HA LYS A 86 9.407 8.765 -4.867 1.00 3.25 H new ATOM 0 HB2 LYS A 86 10.566 6.685 -5.206 1.00 21.22 H new ATOM 0 HB3 LYS A 86 10.996 7.144 -6.841 1.00 21.22 H new ATOM 0 HG2 LYS A 86 12.808 7.331 -5.078 1.00 35.25 H new ATOM 0 HG3 LYS A 86 12.582 8.711 -6.135 1.00 35.25 H new ATOM 0 HD2 LYS A 86 11.598 10.027 -4.400 1.00 15.32 H new ATOM 0 HD3 LYS A 86 11.312 8.631 -3.380 1.00 15.32 H new ATOM 0 HE2 LYS A 86 13.270 9.863 -2.547 1.00 4.41 H new ATOM 0 HE3 LYS A 86 13.773 8.289 -3.131 1.00 4.41 H new ATOM 0 HZ1 LYS A 86 15.256 10.058 -3.839 1.00 11.13 H new ATOM 0 HZ2 LYS A 86 14.533 9.293 -5.171 1.00 11.13 H new ATOM 0 HZ3 LYS A 86 13.986 10.820 -4.669 1.00 11.13 H new