USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 476 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 Single : A2034 THR OG1 : rot 180:sc= 0 USER MOD Single : A2040 ASN : amide:sc= 1.25 K(o=1.3,f=-9.2!) USER MOD Single : A2041 LYS NZ :NH3+ -164:sc= 1.33 (180deg=1.11) USER MOD Single : A2045 THR OG1 : rot -21:sc= 1.13 USER MOD Single : A2060 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A2063 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.15) USER MOD Single : A2065 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2077 TYR OH : rot 180:sc= 0 USER MOD Single : A2078 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A2083 LYS NZ :NH3+ 163:sc= 1.1 (180deg=0.564) USER MOD Single : A2084 GLN : amide:sc= -0.0416 K(o=-0.042,f=-0.62) USER MOD Single : A2085 LYS NZ :NH3+ 150:sc= -0.0867 (180deg=-0.804) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A2028 -1.162 -9.091 -4.637 1.00 0.00 N ATOM 2 CA LEU A2028 -1.576 -8.079 -3.706 1.00 0.00 C ATOM 3 C LEU A2028 -0.869 -8.278 -2.367 1.00 0.00 C ATOM 4 O LEU A2028 -0.777 -7.366 -1.552 1.00 0.00 O ATOM 5 CB LEU A2028 -3.093 -8.056 -3.568 1.00 0.00 C ATOM 6 CG LEU A2028 -3.675 -6.782 -2.969 1.00 0.00 C ATOM 7 CD1 LEU A2028 -3.343 -5.581 -3.845 1.00 0.00 C ATOM 8 CD2 LEU A2028 -5.166 -6.909 -2.816 1.00 0.00 C ATOM 0 HA LEU A2028 -1.284 -7.100 -4.087 1.00 0.00 H new ATOM 0 HB2 LEU A2028 -3.533 -8.208 -4.554 1.00 0.00 H new ATOM 0 HB3 LEU A2028 -3.398 -8.900 -2.949 1.00 0.00 H new ATOM 0 HG LEU A2028 -3.231 -6.632 -1.985 1.00 0.00 H new ATOM 0 HD11 LEU A2028 -3.766 -4.680 -3.402 1.00 0.00 H new ATOM 0 HD12 LEU A2028 -2.261 -5.474 -3.921 1.00 0.00 H new ATOM 0 HD13 LEU A2028 -3.764 -5.729 -4.840 1.00 0.00 H new ATOM 0 HD21 LEU A2028 -5.567 -5.991 -2.387 1.00 0.00 H new ATOM 0 HD22 LEU A2028 -5.619 -7.081 -3.793 1.00 0.00 H new ATOM 0 HD23 LEU A2028 -5.394 -7.747 -2.158 1.00 0.00 H new ATOM 20 N ASP A2029 -0.387 -9.483 -2.146 1.00 0.00 N ATOM 21 CA ASP A2029 0.522 -9.733 -1.051 1.00 0.00 C ATOM 22 C ASP A2029 1.888 -9.332 -1.534 1.00 0.00 C ATOM 23 O ASP A2029 2.563 -10.041 -2.274 1.00 0.00 O ATOM 24 CB ASP A2029 0.470 -11.178 -0.505 1.00 0.00 C ATOM 25 CG ASP A2029 0.576 -12.269 -1.550 1.00 0.00 C ATOM 26 OD1 ASP A2029 -0.462 -12.585 -2.189 1.00 0.00 O ATOM 27 OD2 ASP A2029 1.645 -12.889 -1.692 1.00 0.00 O ATOM 0 H ASP A2029 -0.610 -10.303 -2.710 1.00 0.00 H new ATOM 0 HA ASP A2029 0.228 -9.141 -0.184 1.00 0.00 H new ATOM 0 HB2 ASP A2029 1.279 -11.306 0.214 1.00 0.00 H new ATOM 0 HB3 ASP A2029 -0.465 -11.309 0.040 1.00 0.00 H new ATOM 32 N VAL A2030 2.232 -8.138 -1.187 1.00 0.00 N ATOM 33 CA VAL A2030 3.371 -7.475 -1.733 1.00 0.00 C ATOM 34 C VAL A2030 4.636 -7.739 -0.983 1.00 0.00 C ATOM 35 O VAL A2030 4.729 -7.465 0.221 1.00 0.00 O ATOM 36 CB VAL A2030 3.139 -5.959 -1.761 1.00 0.00 C ATOM 37 CG1 VAL A2030 4.279 -5.220 -2.432 1.00 0.00 C ATOM 38 CG2 VAL A2030 1.835 -5.649 -2.400 1.00 0.00 C ATOM 0 H VAL A2030 1.720 -7.583 -0.502 1.00 0.00 H new ATOM 0 HA VAL A2030 3.491 -7.878 -2.739 1.00 0.00 H new ATOM 0 HB VAL A2030 3.108 -5.607 -0.730 1.00 0.00 H new ATOM 0 HG11 VAL A2030 4.071 -4.150 -2.429 1.00 0.00 H new ATOM 0 HG12 VAL A2030 5.205 -5.411 -1.890 1.00 0.00 H new ATOM 0 HG13 VAL A2030 4.382 -5.566 -3.460 1.00 0.00 H new ATOM 0 HG21 VAL A2030 1.684 -4.570 -2.413 1.00 0.00 H new ATOM 0 HG22 VAL A2030 1.831 -6.028 -3.422 1.00 0.00 H new ATOM 0 HG23 VAL A2030 1.031 -6.121 -1.835 1.00 0.00 H new ATOM 48 N ASP A2031 5.614 -8.242 -1.699 1.00 0.00 N ATOM 49 CA ASP A2031 6.948 -8.340 -1.162 1.00 0.00 C ATOM 50 C ASP A2031 7.517 -6.971 -1.175 1.00 0.00 C ATOM 51 O ASP A2031 7.887 -6.414 -0.144 1.00 0.00 O ATOM 52 CB ASP A2031 7.866 -9.262 -1.984 1.00 0.00 C ATOM 53 CG ASP A2031 7.486 -10.713 -1.934 1.00 0.00 C ATOM 54 OD1 ASP A2031 7.647 -11.346 -0.875 1.00 0.00 O ATOM 55 OD2 ASP A2031 7.023 -11.249 -2.959 1.00 0.00 O ATOM 0 H ASP A2031 5.510 -8.589 -2.653 1.00 0.00 H new ATOM 0 HA ASP A2031 6.888 -8.769 -0.162 1.00 0.00 H new ATOM 0 HB2 ASP A2031 7.858 -8.932 -3.023 1.00 0.00 H new ATOM 0 HB3 ASP A2031 8.889 -9.153 -1.623 1.00 0.00 H new ATOM 60 N LEU A2032 7.444 -6.392 -2.357 1.00 0.00 N ATOM 61 CA LEU A2032 8.009 -5.081 -2.649 1.00 0.00 C ATOM 62 C LEU A2032 7.837 -4.625 -4.113 1.00 0.00 C ATOM 63 O LEU A2032 7.991 -3.447 -4.409 1.00 0.00 O ATOM 64 CB LEU A2032 9.481 -4.953 -2.179 1.00 0.00 C ATOM 65 CG LEU A2032 10.481 -6.033 -2.610 1.00 0.00 C ATOM 66 CD1 LEU A2032 10.909 -5.874 -4.060 1.00 0.00 C ATOM 67 CD2 LEU A2032 11.669 -6.022 -1.682 1.00 0.00 C ATOM 0 H LEU A2032 6.983 -6.823 -3.158 1.00 0.00 H new ATOM 0 HA LEU A2032 7.411 -4.388 -2.057 1.00 0.00 H new ATOM 0 HB2 LEU A2032 9.859 -3.992 -2.529 1.00 0.00 H new ATOM 0 HB3 LEU A2032 9.480 -4.918 -1.090 1.00 0.00 H new ATOM 0 HG LEU A2032 9.985 -7.001 -2.542 1.00 0.00 H new ATOM 0 HD11 LEU A2032 11.617 -6.661 -4.319 1.00 0.00 H new ATOM 0 HD12 LEU A2032 10.035 -5.945 -4.707 1.00 0.00 H new ATOM 0 HD13 LEU A2032 11.382 -4.902 -4.195 1.00 0.00 H new ATOM 0 HD21 LEU A2032 12.378 -6.790 -1.990 1.00 0.00 H new ATOM 0 HD22 LEU A2032 12.152 -5.046 -1.721 1.00 0.00 H new ATOM 0 HD23 LEU A2032 11.337 -6.222 -0.663 1.00 0.00 H new ATOM 79 N GLU A2033 7.492 -5.525 -5.021 1.00 0.00 N ATOM 80 CA GLU A2033 7.414 -5.132 -6.440 1.00 0.00 C ATOM 81 C GLU A2033 6.048 -4.576 -6.799 1.00 0.00 C ATOM 82 O GLU A2033 5.892 -3.878 -7.790 1.00 0.00 O ATOM 83 CB GLU A2033 7.692 -6.317 -7.345 1.00 0.00 C ATOM 84 CG GLU A2033 8.984 -7.033 -7.057 1.00 0.00 C ATOM 85 CD GLU A2033 9.270 -8.092 -8.075 1.00 0.00 C ATOM 86 OE1 GLU A2033 8.715 -9.204 -7.971 1.00 0.00 O ATOM 87 OE2 GLU A2033 10.067 -7.837 -9.004 1.00 0.00 O ATOM 0 H GLU A2033 7.267 -6.500 -4.823 1.00 0.00 H new ATOM 0 HA GLU A2033 8.168 -4.358 -6.587 1.00 0.00 H new ATOM 0 HB2 GLU A2033 6.870 -7.027 -7.255 1.00 0.00 H new ATOM 0 HB3 GLU A2033 7.705 -5.973 -8.379 1.00 0.00 H new ATOM 0 HG2 GLU A2033 9.803 -6.314 -7.041 1.00 0.00 H new ATOM 0 HG3 GLU A2033 8.937 -7.484 -6.066 1.00 0.00 H new ATOM 94 N THR A2034 5.091 -4.846 -5.977 1.00 0.00 N ATOM 95 CA THR A2034 3.745 -4.427 -6.232 1.00 0.00 C ATOM 96 C THR A2034 3.562 -2.956 -5.860 1.00 0.00 C ATOM 97 O THR A2034 4.247 -2.437 -4.964 1.00 0.00 O ATOM 98 CB THR A2034 2.785 -5.309 -5.446 1.00 0.00 C ATOM 99 OG1 THR A2034 3.080 -6.706 -5.680 1.00 0.00 O ATOM 100 CG2 THR A2034 1.321 -5.032 -5.764 1.00 0.00 C ATOM 0 H THR A2034 5.215 -5.364 -5.107 1.00 0.00 H new ATOM 0 HA THR A2034 3.530 -4.530 -7.296 1.00 0.00 H new ATOM 0 HB THR A2034 2.935 -5.067 -4.394 1.00 0.00 H new ATOM 0 HG1 THR A2034 2.457 -7.262 -5.168 1.00 0.00 H new ATOM 0 HG21 THR A2034 0.689 -5.693 -5.171 1.00 0.00 H new ATOM 0 HG22 THR A2034 1.087 -3.995 -5.525 1.00 0.00 H new ATOM 0 HG23 THR A2034 1.139 -5.210 -6.824 1.00 0.00 H new ATOM 108 N ARG A2035 2.669 -2.305 -6.560 1.00 0.00 N ATOM 109 CA ARG A2035 2.379 -0.918 -6.361 1.00 0.00 C ATOM 110 C ARG A2035 1.384 -0.768 -5.239 1.00 0.00 C ATOM 111 O ARG A2035 0.255 -1.273 -5.325 1.00 0.00 O ATOM 112 CB ARG A2035 1.845 -0.263 -7.650 1.00 0.00 C ATOM 113 CG ARG A2035 2.866 -0.103 -8.790 1.00 0.00 C ATOM 114 CD ARG A2035 3.356 -1.426 -9.356 1.00 0.00 C ATOM 115 NE ARG A2035 4.355 -1.230 -10.395 1.00 0.00 N ATOM 116 CZ ARG A2035 5.051 -2.205 -10.988 1.00 0.00 C ATOM 117 NH1 ARG A2035 4.866 -3.489 -10.646 1.00 0.00 N ATOM 118 NH2 ARG A2035 5.921 -1.899 -11.923 1.00 0.00 N ATOM 0 H ARG A2035 2.114 -2.738 -7.298 1.00 0.00 H new ATOM 0 HA ARG A2035 3.304 -0.406 -6.095 1.00 0.00 H new ATOM 0 HB2 ARG A2035 1.008 -0.857 -8.017 1.00 0.00 H new ATOM 0 HB3 ARG A2035 1.451 0.722 -7.399 1.00 0.00 H new ATOM 0 HG2 ARG A2035 2.415 0.481 -9.592 1.00 0.00 H new ATOM 0 HG3 ARG A2035 3.721 0.465 -8.424 1.00 0.00 H new ATOM 0 HD2 ARG A2035 3.779 -2.031 -8.554 1.00 0.00 H new ATOM 0 HD3 ARG A2035 2.512 -1.983 -9.763 1.00 0.00 H new ATOM 0 HE ARG A2035 4.539 -0.273 -10.695 1.00 0.00 H new ATOM 0 HH11 ARG A2035 4.187 -3.732 -9.925 1.00 0.00 H new ATOM 0 HH12 ARG A2035 5.404 -4.222 -11.107 1.00 0.00 H new ATOM 0 HH21 ARG A2035 6.061 -0.925 -12.191 1.00 0.00 H new ATOM 0 HH22 ARG A2035 6.457 -2.636 -12.382 1.00 0.00 H new ATOM 132 N ILE A2036 1.804 -0.106 -4.193 1.00 0.00 N ATOM 133 CA ILE A2036 0.985 0.085 -3.022 1.00 0.00 C ATOM 134 C ILE A2036 0.054 1.256 -3.235 1.00 0.00 C ATOM 135 O ILE A2036 0.510 2.369 -3.534 1.00 0.00 O ATOM 136 CB ILE A2036 1.845 0.364 -1.758 1.00 0.00 C ATOM 137 CG1 ILE A2036 2.843 -0.762 -1.516 1.00 0.00 C ATOM 138 CG2 ILE A2036 0.976 0.593 -0.515 1.00 0.00 C ATOM 139 CD1 ILE A2036 2.210 -2.120 -1.293 1.00 0.00 C ATOM 0 H ILE A2036 2.729 0.319 -4.128 1.00 0.00 H new ATOM 0 HA ILE A2036 0.420 -0.834 -2.866 1.00 0.00 H new ATOM 0 HB ILE A2036 2.401 1.283 -1.944 1.00 0.00 H new ATOM 0 HG12 ILE A2036 3.517 -0.824 -2.371 1.00 0.00 H new ATOM 0 HG13 ILE A2036 3.452 -0.511 -0.648 1.00 0.00 H new ATOM 0 HG21 ILE A2036 1.616 0.784 0.346 1.00 0.00 H new ATOM 0 HG22 ILE A2036 0.324 1.450 -0.680 1.00 0.00 H new ATOM 0 HG23 ILE A2036 0.370 -0.293 -0.327 1.00 0.00 H new ATOM 0 HD11 ILE A2036 2.991 -2.863 -1.129 1.00 0.00 H new ATOM 0 HD12 ILE A2036 1.559 -2.079 -0.420 1.00 0.00 H new ATOM 0 HD13 ILE A2036 1.624 -2.397 -2.170 1.00 0.00 H new ATOM 151 N PRO A2037 -1.251 1.023 -3.123 1.00 0.00 N ATOM 152 CA PRO A2037 -2.214 2.086 -3.204 1.00 0.00 C ATOM 153 C PRO A2037 -2.067 3.020 -2.006 1.00 0.00 C ATOM 154 O PRO A2037 -2.084 2.586 -0.841 1.00 0.00 O ATOM 155 CB PRO A2037 -3.566 1.371 -3.194 1.00 0.00 C ATOM 156 CG PRO A2037 -3.301 0.037 -2.599 1.00 0.00 C ATOM 157 CD PRO A2037 -1.881 -0.296 -2.925 1.00 0.00 C ATOM 0 HA PRO A2037 -2.091 2.708 -4.090 1.00 0.00 H new ATOM 0 HB2 PRO A2037 -4.299 1.925 -2.607 1.00 0.00 H new ATOM 0 HB3 PRO A2037 -3.969 1.279 -4.202 1.00 0.00 H new ATOM 0 HG2 PRO A2037 -3.458 0.055 -1.521 1.00 0.00 H new ATOM 0 HG3 PRO A2037 -3.979 -0.712 -3.008 1.00 0.00 H new ATOM 0 HD2 PRO A2037 -1.404 -0.851 -2.117 1.00 0.00 H new ATOM 0 HD3 PRO A2037 -1.810 -0.913 -3.821 1.00 0.00 H new ATOM 165 N VAL A2038 -1.865 4.268 -2.284 1.00 0.00 N ATOM 166 CA VAL A2038 -1.689 5.252 -1.251 1.00 0.00 C ATOM 167 C VAL A2038 -2.689 6.362 -1.403 1.00 0.00 C ATOM 168 O VAL A2038 -3.103 6.691 -2.521 1.00 0.00 O ATOM 169 CB VAL A2038 -0.246 5.831 -1.200 1.00 0.00 C ATOM 170 CG1 VAL A2038 0.729 4.798 -0.673 1.00 0.00 C ATOM 171 CG2 VAL A2038 0.200 6.312 -2.576 1.00 0.00 C ATOM 0 H VAL A2038 -1.816 4.640 -3.233 1.00 0.00 H new ATOM 0 HA VAL A2038 -1.857 4.739 -0.304 1.00 0.00 H new ATOM 0 HB VAL A2038 -0.256 6.684 -0.521 1.00 0.00 H new ATOM 0 HG11 VAL A2038 1.732 5.225 -0.646 1.00 0.00 H new ATOM 0 HG12 VAL A2038 0.434 4.500 0.333 1.00 0.00 H new ATOM 0 HG13 VAL A2038 0.723 3.926 -1.326 1.00 0.00 H new ATOM 0 HG21 VAL A2038 1.212 6.712 -2.511 1.00 0.00 H new ATOM 0 HG22 VAL A2038 0.184 5.477 -3.276 1.00 0.00 H new ATOM 0 HG23 VAL A2038 -0.476 7.092 -2.926 1.00 0.00 H new ATOM 181 N ILE A2039 -3.085 6.921 -0.301 1.00 0.00 N ATOM 182 CA ILE A2039 -4.054 7.977 -0.299 1.00 0.00 C ATOM 183 C ILE A2039 -3.429 9.255 0.221 1.00 0.00 C ATOM 184 O ILE A2039 -2.668 9.237 1.190 1.00 0.00 O ATOM 185 CB ILE A2039 -5.317 7.612 0.554 1.00 0.00 C ATOM 186 CG1 ILE A2039 -6.398 8.702 0.408 1.00 0.00 C ATOM 187 CG2 ILE A2039 -4.953 7.395 2.041 1.00 0.00 C ATOM 188 CD1 ILE A2039 -7.692 8.401 1.133 1.00 0.00 C ATOM 0 H ILE A2039 -2.746 6.659 0.624 1.00 0.00 H new ATOM 0 HA ILE A2039 -4.382 8.123 -1.328 1.00 0.00 H new ATOM 0 HB ILE A2039 -5.717 6.672 0.174 1.00 0.00 H new ATOM 0 HG12 ILE A2039 -5.998 9.645 0.780 1.00 0.00 H new ATOM 0 HG13 ILE A2039 -6.614 8.843 -0.651 1.00 0.00 H new ATOM 0 HG21 ILE A2039 -5.853 7.144 2.603 1.00 0.00 H new ATOM 0 HG22 ILE A2039 -4.234 6.580 2.124 1.00 0.00 H new ATOM 0 HG23 ILE A2039 -4.516 8.308 2.446 1.00 0.00 H new ATOM 0 HD11 ILE A2039 -8.395 9.219 0.977 1.00 0.00 H new ATOM 0 HD12 ILE A2039 -8.119 7.476 0.746 1.00 0.00 H new ATOM 0 HD13 ILE A2039 -7.494 8.291 2.199 1.00 0.00 H new ATOM 200 N ASN A2040 -3.687 10.339 -0.453 1.00 0.00 N ATOM 201 CA ASN A2040 -3.261 11.632 0.032 1.00 0.00 C ATOM 202 C ASN A2040 -4.207 12.004 1.132 1.00 0.00 C ATOM 203 O ASN A2040 -5.415 12.072 0.903 1.00 0.00 O ATOM 204 CB ASN A2040 -3.321 12.697 -1.058 1.00 0.00 C ATOM 205 CG ASN A2040 -2.826 14.048 -0.570 1.00 0.00 C ATOM 206 OD1 ASN A2040 -3.592 14.838 -0.052 1.00 0.00 O ATOM 207 ND2 ASN A2040 -1.558 14.324 -0.738 1.00 0.00 N ATOM 0 H ASN A2040 -4.190 10.359 -1.340 1.00 0.00 H new ATOM 0 HA ASN A2040 -2.226 11.576 0.370 1.00 0.00 H new ATOM 0 HB2 ASN A2040 -2.719 12.378 -1.909 1.00 0.00 H new ATOM 0 HB3 ASN A2040 -4.347 12.794 -1.412 1.00 0.00 H new ATOM 0 HD21 ASN A2040 -1.187 15.223 -0.431 1.00 0.00 H new ATOM 0 HD22 ASN A2040 -0.941 13.640 -1.176 1.00 0.00 H new ATOM 214 N LYS A2041 -3.676 12.231 2.304 1.00 0.00 N ATOM 215 CA LYS A2041 -4.488 12.490 3.496 1.00 0.00 C ATOM 216 C LYS A2041 -5.322 13.756 3.323 1.00 0.00 C ATOM 217 O LYS A2041 -6.491 13.813 3.708 1.00 0.00 O ATOM 218 CB LYS A2041 -3.582 12.703 4.697 1.00 0.00 C ATOM 219 CG LYS A2041 -2.495 11.666 4.896 1.00 0.00 C ATOM 220 CD LYS A2041 -1.546 12.165 5.948 1.00 0.00 C ATOM 221 CE LYS A2041 -0.239 11.403 5.986 1.00 0.00 C ATOM 222 NZ LYS A2041 0.747 12.105 6.835 1.00 0.00 N ATOM 0 H LYS A2041 -2.670 12.245 2.475 1.00 0.00 H new ATOM 0 HA LYS A2041 -5.142 11.631 3.644 1.00 0.00 H new ATOM 0 HB2 LYS A2041 -3.111 13.682 4.604 1.00 0.00 H new ATOM 0 HB3 LYS A2041 -4.200 12.730 5.594 1.00 0.00 H new ATOM 0 HG2 LYS A2041 -2.931 10.714 5.200 1.00 0.00 H new ATOM 0 HG3 LYS A2041 -1.964 11.489 3.960 1.00 0.00 H new ATOM 0 HD2 LYS A2041 -1.338 13.220 5.769 1.00 0.00 H new ATOM 0 HD3 LYS A2041 -2.027 12.096 6.924 1.00 0.00 H new ATOM 0 HE2 LYS A2041 -0.409 10.398 6.372 1.00 0.00 H new ATOM 0 HE3 LYS A2041 0.155 11.295 4.975 1.00 0.00 H new ATOM 0 HZ1 LYS A2041 1.699 11.734 6.641 1.00 0.00 H new ATOM 0 HZ2 LYS A2041 0.723 13.123 6.625 1.00 0.00 H new ATOM 0 HZ3 LYS A2041 0.513 11.953 7.837 1.00 0.00 H new ATOM 236 N VAL A2042 -4.715 14.738 2.707 1.00 0.00 N ATOM 237 CA VAL A2042 -5.280 16.059 2.585 1.00 0.00 C ATOM 238 C VAL A2042 -6.430 16.095 1.584 1.00 0.00 C ATOM 239 O VAL A2042 -7.558 16.483 1.927 1.00 0.00 O ATOM 240 CB VAL A2042 -4.190 17.070 2.161 1.00 0.00 C ATOM 241 CG1 VAL A2042 -4.739 18.481 2.110 1.00 0.00 C ATOM 242 CG2 VAL A2042 -2.983 16.989 3.086 1.00 0.00 C ATOM 0 H VAL A2042 -3.799 14.641 2.269 1.00 0.00 H new ATOM 0 HA VAL A2042 -5.676 16.335 3.562 1.00 0.00 H new ATOM 0 HB VAL A2042 -3.864 16.804 1.155 1.00 0.00 H new ATOM 0 HG11 VAL A2042 -3.948 19.168 1.809 1.00 0.00 H new ATOM 0 HG12 VAL A2042 -5.555 18.528 1.389 1.00 0.00 H new ATOM 0 HG13 VAL A2042 -5.109 18.763 3.096 1.00 0.00 H new ATOM 0 HG21 VAL A2042 -2.231 17.710 2.766 1.00 0.00 H new ATOM 0 HG22 VAL A2042 -3.291 17.215 4.107 1.00 0.00 H new ATOM 0 HG23 VAL A2042 -2.562 15.984 3.048 1.00 0.00 H new ATOM 252 N ASP A2043 -6.156 15.680 0.371 1.00 0.00 N ATOM 253 CA ASP A2043 -7.142 15.759 -0.696 1.00 0.00 C ATOM 254 C ASP A2043 -8.038 14.539 -0.760 1.00 0.00 C ATOM 255 O ASP A2043 -9.256 14.661 -0.911 1.00 0.00 O ATOM 256 CB ASP A2043 -6.477 15.988 -2.051 1.00 0.00 C ATOM 257 CG ASP A2043 -7.478 16.016 -3.186 1.00 0.00 C ATOM 258 OD1 ASP A2043 -8.107 17.068 -3.422 1.00 0.00 O ATOM 259 OD2 ASP A2043 -7.654 14.996 -3.869 1.00 0.00 O ATOM 0 H ASP A2043 -5.259 15.283 0.091 1.00 0.00 H new ATOM 0 HA ASP A2043 -7.772 16.616 -0.459 1.00 0.00 H new ATOM 0 HB2 ASP A2043 -5.929 16.930 -2.030 1.00 0.00 H new ATOM 0 HB3 ASP A2043 -5.747 15.199 -2.233 1.00 0.00 H new ATOM 264 N GLY A2044 -7.449 13.381 -0.610 1.00 0.00 N ATOM 265 CA GLY A2044 -8.194 12.156 -0.749 1.00 0.00 C ATOM 266 C GLY A2044 -7.810 11.424 -2.013 1.00 0.00 C ATOM 267 O GLY A2044 -8.402 10.393 -2.344 1.00 0.00 O ATOM 0 H GLY A2044 -6.460 13.260 -0.392 1.00 0.00 H new ATOM 0 HA2 GLY A2044 -8.012 11.516 0.115 1.00 0.00 H new ATOM 0 HA3 GLY A2044 -9.261 12.376 -0.763 1.00 0.00 H new ATOM 271 N THR A2045 -6.830 11.973 -2.725 1.00 0.00 N ATOM 272 CA THR A2045 -6.303 11.394 -3.944 1.00 0.00 C ATOM 273 C THR A2045 -5.794 9.969 -3.663 1.00 0.00 C ATOM 274 O THR A2045 -4.884 9.785 -2.851 1.00 0.00 O ATOM 275 CB THR A2045 -5.116 12.248 -4.430 1.00 0.00 C ATOM 276 OG1 THR A2045 -5.449 13.650 -4.323 1.00 0.00 O ATOM 277 CG2 THR A2045 -4.766 11.923 -5.877 1.00 0.00 C ATOM 0 H THR A2045 -6.376 12.848 -2.461 1.00 0.00 H new ATOM 0 HA THR A2045 -7.089 11.364 -4.699 1.00 0.00 H new ATOM 0 HB THR A2045 -4.253 12.021 -3.803 1.00 0.00 H new ATOM 0 HG1 THR A2045 -6.423 13.754 -4.303 1.00 0.00 H new ATOM 0 HG21 THR A2045 -3.925 12.539 -6.195 1.00 0.00 H new ATOM 0 HG22 THR A2045 -4.495 10.870 -5.958 1.00 0.00 H new ATOM 0 HG23 THR A2045 -5.627 12.127 -6.514 1.00 0.00 H new ATOM 285 N LEU A2046 -6.391 8.988 -4.288 1.00 0.00 N ATOM 286 CA LEU A2046 -5.997 7.617 -4.088 1.00 0.00 C ATOM 287 C LEU A2046 -5.263 7.132 -5.318 1.00 0.00 C ATOM 288 O LEU A2046 -5.797 7.169 -6.429 1.00 0.00 O ATOM 289 CB LEU A2046 -7.216 6.727 -3.802 1.00 0.00 C ATOM 290 CG LEU A2046 -6.915 5.255 -3.481 1.00 0.00 C ATOM 291 CD1 LEU A2046 -6.152 5.115 -2.175 1.00 0.00 C ATOM 292 CD2 LEU A2046 -8.190 4.441 -3.440 1.00 0.00 C ATOM 0 H LEU A2046 -7.160 9.115 -4.946 1.00 0.00 H new ATOM 0 HA LEU A2046 -5.339 7.558 -3.221 1.00 0.00 H new ATOM 0 HB2 LEU A2046 -7.765 7.156 -2.964 1.00 0.00 H new ATOM 0 HB3 LEU A2046 -7.877 6.762 -4.668 1.00 0.00 H new ATOM 0 HG LEU A2046 -6.283 4.868 -4.280 1.00 0.00 H new ATOM 0 HD11 LEU A2046 -5.956 4.061 -1.979 1.00 0.00 H new ATOM 0 HD12 LEU A2046 -5.206 5.653 -2.247 1.00 0.00 H new ATOM 0 HD13 LEU A2046 -6.745 5.531 -1.361 1.00 0.00 H new ATOM 0 HD21 LEU A2046 -7.951 3.402 -3.211 1.00 0.00 H new ATOM 0 HD22 LEU A2046 -8.851 4.839 -2.671 1.00 0.00 H new ATOM 0 HD23 LEU A2046 -8.687 4.494 -4.409 1.00 0.00 H new ATOM 304 N LEU A2047 -4.056 6.711 -5.122 1.00 0.00 N ATOM 305 CA LEU A2047 -3.213 6.256 -6.202 1.00 0.00 C ATOM 306 C LEU A2047 -3.259 4.760 -6.265 1.00 0.00 C ATOM 307 O LEU A2047 -2.879 4.095 -5.310 1.00 0.00 O ATOM 308 CB LEU A2047 -1.772 6.721 -5.981 1.00 0.00 C ATOM 309 CG LEU A2047 -1.558 8.228 -5.805 1.00 0.00 C ATOM 310 CD1 LEU A2047 -0.082 8.532 -5.617 1.00 0.00 C ATOM 311 CD2 LEU A2047 -2.123 9.013 -6.982 1.00 0.00 C ATOM 0 H LEU A2047 -3.615 6.669 -4.203 1.00 0.00 H new ATOM 0 HA LEU A2047 -3.574 6.675 -7.141 1.00 0.00 H new ATOM 0 HB2 LEU A2047 -1.383 6.216 -5.097 1.00 0.00 H new ATOM 0 HB3 LEU A2047 -1.173 6.388 -6.828 1.00 0.00 H new ATOM 0 HG LEU A2047 -2.098 8.542 -4.911 1.00 0.00 H new ATOM 0 HD11 LEU A2047 0.055 9.606 -5.493 1.00 0.00 H new ATOM 0 HD12 LEU A2047 0.286 8.015 -4.731 1.00 0.00 H new ATOM 0 HD13 LEU A2047 0.473 8.194 -6.492 1.00 0.00 H new ATOM 0 HD21 LEU A2047 -1.954 10.078 -6.824 1.00 0.00 H new ATOM 0 HD22 LEU A2047 -1.627 8.699 -7.900 1.00 0.00 H new ATOM 0 HD23 LEU A2047 -3.193 8.824 -7.065 1.00 0.00 H new ATOM 323 N VAL A2048 -3.760 4.233 -7.356 1.00 0.00 N ATOM 324 CA VAL A2048 -3.848 2.795 -7.548 1.00 0.00 C ATOM 325 C VAL A2048 -3.259 2.407 -8.905 1.00 0.00 C ATOM 326 O VAL A2048 -3.038 3.282 -9.762 1.00 0.00 O ATOM 327 CB VAL A2048 -5.326 2.271 -7.462 1.00 0.00 C ATOM 328 CG1 VAL A2048 -5.931 2.520 -6.091 1.00 0.00 C ATOM 329 CG2 VAL A2048 -6.198 2.904 -8.535 1.00 0.00 C ATOM 0 H VAL A2048 -4.119 4.782 -8.137 1.00 0.00 H new ATOM 0 HA VAL A2048 -3.278 2.332 -6.742 1.00 0.00 H new ATOM 0 HB VAL A2048 -5.290 1.195 -7.629 1.00 0.00 H new ATOM 0 HG11 VAL A2048 -6.954 2.144 -6.071 1.00 0.00 H new ATOM 0 HG12 VAL A2048 -5.340 2.005 -5.334 1.00 0.00 H new ATOM 0 HG13 VAL A2048 -5.934 3.590 -5.883 1.00 0.00 H new ATOM 0 HG21 VAL A2048 -7.215 2.521 -8.450 1.00 0.00 H new ATOM 0 HG22 VAL A2048 -6.205 3.986 -8.406 1.00 0.00 H new ATOM 0 HG23 VAL A2048 -5.799 2.659 -9.519 1.00 0.00 H new ATOM 339 N GLY A2049 -2.959 1.126 -9.066 1.00 0.00 N ATOM 340 CA GLY A2049 -2.516 0.583 -10.340 1.00 0.00 C ATOM 341 C GLY A2049 -1.208 1.159 -10.847 1.00 0.00 C ATOM 342 O GLY A2049 -0.129 0.786 -10.384 1.00 0.00 O ATOM 0 H GLY A2049 -3.016 0.435 -8.317 1.00 0.00 H new ATOM 0 HA2 GLY A2049 -2.410 -0.497 -10.243 1.00 0.00 H new ATOM 0 HA3 GLY A2049 -3.291 0.761 -11.086 1.00 0.00 H new ATOM 346 N GLU A2050 -1.308 2.074 -11.787 1.00 0.00 N ATOM 347 CA GLU A2050 -0.137 2.658 -12.423 1.00 0.00 C ATOM 348 C GLU A2050 0.258 3.974 -11.791 1.00 0.00 C ATOM 349 O GLU A2050 1.362 4.473 -12.002 1.00 0.00 O ATOM 350 CB GLU A2050 -0.347 2.805 -13.931 1.00 0.00 C ATOM 351 CG GLU A2050 -1.561 3.639 -14.314 1.00 0.00 C ATOM 352 CD GLU A2050 -1.713 3.785 -15.798 1.00 0.00 C ATOM 353 OE1 GLU A2050 -1.071 4.682 -16.383 1.00 0.00 O ATOM 354 OE2 GLU A2050 -2.466 3.002 -16.420 1.00 0.00 O ATOM 0 H GLU A2050 -2.197 2.436 -12.134 1.00 0.00 H new ATOM 0 HA GLU A2050 0.693 1.970 -12.264 1.00 0.00 H new ATOM 0 HB2 GLU A2050 0.543 3.258 -14.368 1.00 0.00 H new ATOM 0 HB3 GLU A2050 -0.449 1.813 -14.371 1.00 0.00 H new ATOM 0 HG2 GLU A2050 -2.459 3.177 -13.904 1.00 0.00 H new ATOM 0 HG3 GLU A2050 -1.476 4.627 -13.862 1.00 0.00 H new ATOM 361 N ASP A2051 -0.622 4.521 -11.006 1.00 0.00 N ATOM 362 CA ASP A2051 -0.350 5.782 -10.339 1.00 0.00 C ATOM 363 C ASP A2051 0.193 5.559 -8.963 1.00 0.00 C ATOM 364 O ASP A2051 0.659 6.488 -8.303 1.00 0.00 O ATOM 365 CB ASP A2051 -1.584 6.647 -10.282 1.00 0.00 C ATOM 366 CG ASP A2051 -1.779 7.483 -11.520 1.00 0.00 C ATOM 367 OD1 ASP A2051 -0.902 8.315 -11.832 1.00 0.00 O ATOM 368 OD2 ASP A2051 -2.811 7.330 -12.200 1.00 0.00 O ATOM 0 H ASP A2051 -1.539 4.122 -10.805 1.00 0.00 H new ATOM 0 HA ASP A2051 0.406 6.304 -10.925 1.00 0.00 H new ATOM 0 HB2 ASP A2051 -2.459 6.013 -10.138 1.00 0.00 H new ATOM 0 HB3 ASP A2051 -1.520 7.303 -9.414 1.00 0.00 H new ATOM 373 N ALA A2052 0.128 4.335 -8.531 1.00 0.00 N ATOM 374 CA ALA A2052 0.628 3.948 -7.246 1.00 0.00 C ATOM 375 C ALA A2052 2.092 3.538 -7.395 1.00 0.00 C ATOM 376 O ALA A2052 2.463 2.994 -8.433 1.00 0.00 O ATOM 377 CB ALA A2052 -0.205 2.807 -6.703 1.00 0.00 C ATOM 0 H ALA A2052 -0.278 3.568 -9.067 1.00 0.00 H new ATOM 0 HA ALA A2052 0.563 4.779 -6.543 1.00 0.00 H new ATOM 0 HB1 ALA A2052 0.175 2.512 -5.725 1.00 0.00 H new ATOM 0 HB2 ALA A2052 -1.242 3.127 -6.607 1.00 0.00 H new ATOM 0 HB3 ALA A2052 -0.149 1.959 -7.385 1.00 0.00 H new ATOM 383 N PRO A2053 2.955 3.835 -6.416 1.00 0.00 N ATOM 384 CA PRO A2053 4.371 3.487 -6.493 1.00 0.00 C ATOM 385 C PRO A2053 4.668 2.039 -6.067 1.00 0.00 C ATOM 386 O PRO A2053 3.977 1.460 -5.207 1.00 0.00 O ATOM 387 CB PRO A2053 5.038 4.473 -5.507 1.00 0.00 C ATOM 388 CG PRO A2053 3.932 5.357 -5.010 1.00 0.00 C ATOM 389 CD PRO A2053 2.670 4.569 -5.184 1.00 0.00 C ATOM 0 HA PRO A2053 4.737 3.556 -7.518 1.00 0.00 H new ATOM 0 HB2 PRO A2053 5.515 3.941 -4.684 1.00 0.00 H new ATOM 0 HB3 PRO A2053 5.814 5.057 -6.002 1.00 0.00 H new ATOM 0 HG2 PRO A2053 4.085 5.624 -3.964 1.00 0.00 H new ATOM 0 HG3 PRO A2053 3.892 6.289 -5.575 1.00 0.00 H new ATOM 0 HD2 PRO A2053 2.483 3.902 -4.342 1.00 0.00 H new ATOM 0 HD3 PRO A2053 1.795 5.211 -5.282 1.00 0.00 H new ATOM 397 N ARG A2054 5.703 1.469 -6.671 1.00 0.00 N ATOM 398 CA ARG A2054 6.192 0.152 -6.365 1.00 0.00 C ATOM 399 C ARG A2054 6.710 0.183 -4.941 1.00 0.00 C ATOM 400 O ARG A2054 7.461 1.089 -4.591 1.00 0.00 O ATOM 401 CB ARG A2054 7.319 -0.175 -7.347 1.00 0.00 C ATOM 402 CG ARG A2054 8.102 -1.428 -7.047 1.00 0.00 C ATOM 403 CD ARG A2054 9.313 -1.565 -7.966 1.00 0.00 C ATOM 404 NE ARG A2054 8.969 -1.851 -9.368 1.00 0.00 N ATOM 405 CZ ARG A2054 9.189 -1.024 -10.409 1.00 0.00 C ATOM 406 NH1 ARG A2054 9.427 0.274 -10.220 1.00 0.00 N ATOM 407 NH2 ARG A2054 9.098 -1.484 -11.643 1.00 0.00 N ATOM 0 H ARG A2054 6.234 1.933 -7.408 1.00 0.00 H new ATOM 0 HA ARG A2054 5.416 -0.608 -6.454 1.00 0.00 H new ATOM 0 HB2 ARG A2054 6.892 -0.266 -8.346 1.00 0.00 H new ATOM 0 HB3 ARG A2054 8.011 0.667 -7.372 1.00 0.00 H new ATOM 0 HG2 ARG A2054 8.432 -1.412 -6.008 1.00 0.00 H new ATOM 0 HG3 ARG A2054 7.456 -2.298 -7.163 1.00 0.00 H new ATOM 0 HD2 ARG A2054 9.894 -0.643 -7.925 1.00 0.00 H new ATOM 0 HD3 ARG A2054 9.954 -2.362 -7.590 1.00 0.00 H new ATOM 0 HE ARG A2054 8.528 -2.749 -9.568 1.00 0.00 H new ATOM 0 HH11 ARG A2054 9.445 0.657 -9.275 1.00 0.00 H new ATOM 0 HH12 ARG A2054 9.591 0.884 -11.021 1.00 0.00 H new ATOM 0 HH21 ARG A2054 8.862 -2.463 -11.806 1.00 0.00 H new ATOM 0 HH22 ARG A2054 9.264 -0.861 -12.433 1.00 0.00 H new ATOM 421 N ARG A2055 6.305 -0.781 -4.132 1.00 0.00 N ATOM 422 CA ARG A2055 6.626 -0.810 -2.706 1.00 0.00 C ATOM 423 C ARG A2055 8.127 -0.596 -2.386 1.00 0.00 C ATOM 424 O ARG A2055 8.467 0.103 -1.428 1.00 0.00 O ATOM 425 CB ARG A2055 6.100 -2.067 -2.048 1.00 0.00 C ATOM 426 CG ARG A2055 6.360 -2.088 -0.545 1.00 0.00 C ATOM 427 CD ARG A2055 5.755 -3.282 0.145 1.00 0.00 C ATOM 428 NE ARG A2055 5.956 -3.205 1.594 1.00 0.00 N ATOM 429 CZ ARG A2055 5.537 -4.095 2.509 1.00 0.00 C ATOM 430 NH1 ARG A2055 4.965 -5.245 2.141 1.00 0.00 N ATOM 431 NH2 ARG A2055 5.724 -3.842 3.794 1.00 0.00 N ATOM 0 H ARG A2055 5.741 -1.572 -4.443 1.00 0.00 H new ATOM 0 HA ARG A2055 6.112 0.051 -2.278 1.00 0.00 H new ATOM 0 HB2 ARG A2055 5.028 -2.148 -2.230 1.00 0.00 H new ATOM 0 HB3 ARG A2055 6.568 -2.938 -2.507 1.00 0.00 H new ATOM 0 HG2 ARG A2055 7.436 -2.081 -0.369 1.00 0.00 H new ATOM 0 HG3 ARG A2055 5.958 -1.177 -0.101 1.00 0.00 H new ATOM 0 HD2 ARG A2055 4.689 -3.333 -0.076 1.00 0.00 H new ATOM 0 HD3 ARG A2055 6.205 -4.197 -0.241 1.00 0.00 H new ATOM 0 HE ARG A2055 6.466 -2.394 1.944 1.00 0.00 H new ATOM 0 HH11 ARG A2055 4.840 -5.459 1.151 1.00 0.00 H new ATOM 0 HH12 ARG A2055 4.653 -5.909 2.850 1.00 0.00 H new ATOM 0 HH21 ARG A2055 6.183 -2.978 4.082 1.00 0.00 H new ATOM 0 HH22 ARG A2055 5.410 -4.511 4.497 1.00 0.00 H new ATOM 445 N ALA A2056 8.993 -1.160 -3.216 1.00 0.00 N ATOM 446 CA ALA A2056 10.455 -1.041 -3.070 1.00 0.00 C ATOM 447 C ALA A2056 10.922 0.430 -3.100 1.00 0.00 C ATOM 448 O ALA A2056 11.969 0.777 -2.557 1.00 0.00 O ATOM 449 CB ALA A2056 11.142 -1.821 -4.185 1.00 0.00 C ATOM 0 H ALA A2056 8.708 -1.720 -4.020 1.00 0.00 H new ATOM 0 HA ALA A2056 10.728 -1.453 -2.098 1.00 0.00 H new ATOM 0 HB1 ALA A2056 12.223 -1.733 -4.078 1.00 0.00 H new ATOM 0 HB2 ALA A2056 10.855 -2.871 -4.125 1.00 0.00 H new ATOM 0 HB3 ALA A2056 10.840 -1.417 -5.151 1.00 0.00 H new ATOM 455 N GLU A2057 10.143 1.266 -3.758 1.00 0.00 N ATOM 456 CA GLU A2057 10.433 2.690 -3.886 1.00 0.00 C ATOM 457 C GLU A2057 9.566 3.451 -2.875 1.00 0.00 C ATOM 458 O GLU A2057 10.002 4.402 -2.217 1.00 0.00 O ATOM 459 CB GLU A2057 10.068 3.124 -5.314 1.00 0.00 C ATOM 460 CG GLU A2057 10.652 2.205 -6.382 1.00 0.00 C ATOM 461 CD GLU A2057 10.261 2.569 -7.786 1.00 0.00 C ATOM 462 OE1 GLU A2057 9.253 2.071 -8.264 1.00 0.00 O ATOM 463 OE2 GLU A2057 10.996 3.321 -8.460 1.00 0.00 O ATOM 0 H GLU A2057 9.283 0.979 -4.224 1.00 0.00 H new ATOM 0 HA GLU A2057 11.486 2.898 -3.694 1.00 0.00 H new ATOM 0 HB2 GLU A2057 8.983 3.146 -5.415 1.00 0.00 H new ATOM 0 HB3 GLU A2057 10.425 4.140 -5.482 1.00 0.00 H new ATOM 0 HG2 GLU A2057 11.739 2.220 -6.304 1.00 0.00 H new ATOM 0 HG3 GLU A2057 10.332 1.183 -6.181 1.00 0.00 H new ATOM 470 N LEU A2058 8.348 2.952 -2.742 1.00 0.00 N ATOM 471 CA LEU A2058 7.273 3.478 -1.907 1.00 0.00 C ATOM 472 C LEU A2058 7.714 3.795 -0.480 1.00 0.00 C ATOM 473 O LEU A2058 7.396 4.865 0.026 1.00 0.00 O ATOM 474 CB LEU A2058 6.127 2.442 -1.934 1.00 0.00 C ATOM 475 CG LEU A2058 4.803 2.694 -1.178 1.00 0.00 C ATOM 476 CD1 LEU A2058 4.915 2.412 0.312 1.00 0.00 C ATOM 477 CD2 LEU A2058 4.286 4.088 -1.428 1.00 0.00 C ATOM 0 H LEU A2058 8.062 2.113 -3.247 1.00 0.00 H new ATOM 0 HA LEU A2058 6.943 4.436 -2.308 1.00 0.00 H new ATOM 0 HB2 LEU A2058 5.870 2.279 -2.981 1.00 0.00 H new ATOM 0 HB3 LEU A2058 6.536 1.505 -1.556 1.00 0.00 H new ATOM 0 HG LEU A2058 4.079 1.984 -1.578 1.00 0.00 H new ATOM 0 HD11 LEU A2058 3.956 2.606 0.792 1.00 0.00 H new ATOM 0 HD12 LEU A2058 5.193 1.369 0.465 1.00 0.00 H new ATOM 0 HD13 LEU A2058 5.676 3.058 0.748 1.00 0.00 H new ATOM 0 HD21 LEU A2058 3.354 4.234 -0.882 1.00 0.00 H new ATOM 0 HD22 LEU A2058 5.023 4.816 -1.088 1.00 0.00 H new ATOM 0 HD23 LEU A2058 4.107 4.224 -2.495 1.00 0.00 H new ATOM 489 N GLU A2059 8.438 2.885 0.167 1.00 0.00 N ATOM 490 CA GLU A2059 8.836 3.117 1.556 1.00 0.00 C ATOM 491 C GLU A2059 9.710 4.368 1.689 1.00 0.00 C ATOM 492 O GLU A2059 9.472 5.214 2.557 1.00 0.00 O ATOM 493 CB GLU A2059 9.506 1.892 2.207 1.00 0.00 C ATOM 494 CG GLU A2059 10.752 1.368 1.514 1.00 0.00 C ATOM 495 CD GLU A2059 11.492 0.371 2.371 1.00 0.00 C ATOM 496 OE1 GLU A2059 12.330 0.803 3.198 1.00 0.00 O ATOM 497 OE2 GLU A2059 11.245 -0.852 2.249 1.00 0.00 O ATOM 0 H GLU A2059 8.755 2.002 -0.233 1.00 0.00 H new ATOM 0 HA GLU A2059 7.913 3.289 2.109 1.00 0.00 H new ATOM 0 HB2 GLU A2059 9.766 2.148 3.234 1.00 0.00 H new ATOM 0 HB3 GLU A2059 8.775 1.085 2.255 1.00 0.00 H new ATOM 0 HG2 GLU A2059 10.473 0.900 0.570 1.00 0.00 H new ATOM 0 HG3 GLU A2059 11.412 2.201 1.274 1.00 0.00 H new ATOM 504 N MET A2060 10.650 4.517 0.769 1.00 0.00 N ATOM 505 CA MET A2060 11.572 5.647 0.768 1.00 0.00 C ATOM 506 C MET A2060 10.820 6.912 0.388 1.00 0.00 C ATOM 507 O MET A2060 11.057 7.990 0.939 1.00 0.00 O ATOM 508 CB MET A2060 12.743 5.397 -0.206 1.00 0.00 C ATOM 509 CG MET A2060 13.548 4.144 0.117 1.00 0.00 C ATOM 510 SD MET A2060 14.925 3.850 -1.017 1.00 0.00 S ATOM 511 CE MET A2060 15.511 2.264 -0.407 1.00 0.00 C ATOM 0 H MET A2060 10.797 3.861 0.002 1.00 0.00 H new ATOM 0 HA MET A2060 11.990 5.766 1.768 1.00 0.00 H new ATOM 0 HB2 MET A2060 12.350 5.315 -1.220 1.00 0.00 H new ATOM 0 HB3 MET A2060 13.408 6.260 -0.190 1.00 0.00 H new ATOM 0 HG2 MET A2060 13.936 4.224 1.132 1.00 0.00 H new ATOM 0 HG3 MET A2060 12.883 3.281 0.098 1.00 0.00 H new ATOM 0 HE1 MET A2060 16.364 1.938 -1.002 1.00 0.00 H new ATOM 0 HE2 MET A2060 15.813 2.364 0.636 1.00 0.00 H new ATOM 0 HE3 MET A2060 14.712 1.527 -0.484 1.00 0.00 H new ATOM 521 N TRP A2061 9.879 6.749 -0.518 1.00 0.00 N ATOM 522 CA TRP A2061 9.015 7.820 -0.986 1.00 0.00 C ATOM 523 C TRP A2061 8.142 8.350 0.171 1.00 0.00 C ATOM 524 O TRP A2061 7.919 9.558 0.300 1.00 0.00 O ATOM 525 CB TRP A2061 8.147 7.279 -2.128 1.00 0.00 C ATOM 526 CG TRP A2061 7.241 8.271 -2.778 1.00 0.00 C ATOM 527 CD1 TRP A2061 7.594 9.247 -3.656 1.00 0.00 C ATOM 528 CD2 TRP A2061 5.821 8.359 -2.630 1.00 0.00 C ATOM 529 NE1 TRP A2061 6.484 9.937 -4.063 1.00 0.00 N ATOM 530 CE2 TRP A2061 5.382 9.413 -3.448 1.00 0.00 C ATOM 531 CE3 TRP A2061 4.881 7.651 -1.887 1.00 0.00 C ATOM 532 CZ2 TRP A2061 4.041 9.771 -3.543 1.00 0.00 C ATOM 533 CZ3 TRP A2061 3.555 8.006 -1.979 1.00 0.00 C ATOM 534 CH2 TRP A2061 3.145 9.055 -2.804 1.00 0.00 C ATOM 0 H TRP A2061 9.687 5.851 -0.961 1.00 0.00 H new ATOM 0 HA TRP A2061 9.615 8.653 -1.351 1.00 0.00 H new ATOM 0 HB2 TRP A2061 8.803 6.859 -2.891 1.00 0.00 H new ATOM 0 HB3 TRP A2061 7.541 6.459 -1.742 1.00 0.00 H new ATOM 0 HD1 TRP A2061 8.603 9.449 -3.984 1.00 0.00 H new ATOM 0 HE1 TRP A2061 6.480 10.717 -4.720 1.00 0.00 H new ATOM 0 HE3 TRP A2061 5.188 6.836 -1.248 1.00 0.00 H new ATOM 0 HZ2 TRP A2061 3.721 10.585 -4.177 1.00 0.00 H new ATOM 0 HZ3 TRP A2061 2.819 7.464 -1.403 1.00 0.00 H new ATOM 0 HH2 TRP A2061 2.096 9.305 -2.858 1.00 0.00 H new ATOM 545 N LEU A2062 7.663 7.444 1.009 1.00 0.00 N ATOM 546 CA LEU A2062 6.878 7.812 2.181 1.00 0.00 C ATOM 547 C LEU A2062 7.714 8.542 3.211 1.00 0.00 C ATOM 548 O LEU A2062 7.211 9.423 3.904 1.00 0.00 O ATOM 549 CB LEU A2062 6.185 6.613 2.833 1.00 0.00 C ATOM 550 CG LEU A2062 5.058 5.946 2.041 1.00 0.00 C ATOM 551 CD1 LEU A2062 4.463 4.803 2.843 1.00 0.00 C ATOM 552 CD2 LEU A2062 3.971 6.953 1.681 1.00 0.00 C ATOM 0 H LEU A2062 7.805 6.440 0.899 1.00 0.00 H new ATOM 0 HA LEU A2062 6.103 8.485 1.814 1.00 0.00 H new ATOM 0 HB2 LEU A2062 6.942 5.858 3.045 1.00 0.00 H new ATOM 0 HB3 LEU A2062 5.780 6.936 3.792 1.00 0.00 H new ATOM 0 HG LEU A2062 5.479 5.554 1.115 1.00 0.00 H new ATOM 0 HD11 LEU A2062 3.662 4.335 2.271 1.00 0.00 H new ATOM 0 HD12 LEU A2062 5.237 4.065 3.054 1.00 0.00 H new ATOM 0 HD13 LEU A2062 4.062 5.187 3.781 1.00 0.00 H new ATOM 0 HD21 LEU A2062 3.183 6.452 1.119 1.00 0.00 H new ATOM 0 HD22 LEU A2062 3.552 7.378 2.593 1.00 0.00 H new ATOM 0 HD23 LEU A2062 4.400 7.750 1.073 1.00 0.00 H new ATOM 564 N GLN A2063 8.989 8.184 3.306 1.00 0.00 N ATOM 565 CA GLN A2063 9.891 8.776 4.290 1.00 0.00 C ATOM 566 C GLN A2063 10.090 10.276 4.072 1.00 0.00 C ATOM 567 O GLN A2063 10.378 11.011 5.005 1.00 0.00 O ATOM 568 CB GLN A2063 11.240 8.078 4.295 1.00 0.00 C ATOM 569 CG GLN A2063 11.217 6.591 4.661 1.00 0.00 C ATOM 570 CD GLN A2063 10.375 6.268 5.890 1.00 0.00 C ATOM 571 OE1 GLN A2063 10.847 6.302 7.024 1.00 0.00 O ATOM 572 NE2 GLN A2063 9.141 5.897 5.663 1.00 0.00 N ATOM 0 H GLN A2063 9.425 7.481 2.709 1.00 0.00 H new ATOM 0 HA GLN A2063 9.413 8.637 5.260 1.00 0.00 H new ATOM 0 HB2 GLN A2063 11.686 8.183 3.306 1.00 0.00 H new ATOM 0 HB3 GLN A2063 11.894 8.596 4.997 1.00 0.00 H new ATOM 0 HG2 GLN A2063 10.835 6.024 3.812 1.00 0.00 H new ATOM 0 HG3 GLN A2063 12.239 6.254 4.835 1.00 0.00 H new ATOM 0 HE21 GLN A2063 8.781 5.880 4.709 1.00 0.00 H new ATOM 0 HE22 GLN A2063 8.539 5.625 6.440 1.00 0.00 H new ATOM 581 N GLY A2064 9.953 10.710 2.837 1.00 0.00 N ATOM 582 CA GLY A2064 10.042 12.138 2.521 1.00 0.00 C ATOM 583 C GLY A2064 8.766 12.896 2.894 1.00 0.00 C ATOM 584 O GLY A2064 8.726 14.135 2.866 1.00 0.00 O ATOM 0 H GLY A2064 9.780 10.106 2.033 1.00 0.00 H new ATOM 0 HA2 GLY A2064 10.889 12.573 3.052 1.00 0.00 H new ATOM 0 HA3 GLY A2064 10.236 12.261 1.456 1.00 0.00 H new ATOM 588 N HIS A2065 7.743 12.135 3.270 1.00 0.00 N ATOM 589 CA HIS A2065 6.425 12.625 3.658 1.00 0.00 C ATOM 590 C HIS A2065 5.738 13.445 2.572 1.00 0.00 C ATOM 591 O HIS A2065 5.838 14.674 2.542 1.00 0.00 O ATOM 592 CB HIS A2065 6.425 13.378 4.998 1.00 0.00 C ATOM 593 CG HIS A2065 6.817 12.552 6.191 1.00 0.00 C ATOM 594 ND1 HIS A2065 5.914 11.959 7.045 1.00 0.00 N ATOM 595 CD2 HIS A2065 8.041 12.253 6.682 1.00 0.00 C ATOM 596 CE1 HIS A2065 6.598 11.334 8.004 1.00 0.00 C ATOM 597 NE2 HIS A2065 7.901 11.483 7.831 1.00 0.00 N ATOM 0 H HIS A2065 7.813 11.118 3.314 1.00 0.00 H new ATOM 0 HA HIS A2065 5.833 11.720 3.797 1.00 0.00 H new ATOM 0 HB2 HIS A2065 7.107 14.225 4.922 1.00 0.00 H new ATOM 0 HB3 HIS A2065 5.428 13.785 5.169 1.00 0.00 H new ATOM 0 HD2 HIS A2065 8.980 12.564 6.249 1.00 0.00 H new ATOM 0 HE1 HIS A2065 6.148 10.780 8.814 1.00 0.00 H new ATOM 0 HE2 HIS A2065 8.647 11.111 8.418 1.00 0.00 H new ATOM 605 N PRO A2066 5.091 12.777 1.611 1.00 0.00 N ATOM 606 CA PRO A2066 4.303 13.451 0.589 1.00 0.00 C ATOM 607 C PRO A2066 2.837 13.603 1.031 1.00 0.00 C ATOM 608 O PRO A2066 1.988 14.051 0.268 1.00 0.00 O ATOM 609 CB PRO A2066 4.424 12.497 -0.596 1.00 0.00 C ATOM 610 CG PRO A2066 4.532 11.134 0.019 1.00 0.00 C ATOM 611 CD PRO A2066 5.137 11.313 1.391 1.00 0.00 C ATOM 0 HA PRO A2066 4.643 14.463 0.371 1.00 0.00 H new ATOM 0 HB2 PRO A2066 3.556 12.568 -1.251 1.00 0.00 H new ATOM 0 HB3 PRO A2066 5.300 12.728 -1.202 1.00 0.00 H new ATOM 0 HG2 PRO A2066 3.551 10.664 0.089 1.00 0.00 H new ATOM 0 HG3 PRO A2066 5.154 10.483 -0.595 1.00 0.00 H new ATOM 0 HD2 PRO A2066 4.569 10.777 2.151 1.00 0.00 H new ATOM 0 HD3 PRO A2066 6.159 10.935 1.430 1.00 0.00 H new ATOM 619 N GLU A2067 2.577 13.209 2.290 1.00 0.00 N ATOM 620 CA GLU A2067 1.258 13.247 2.924 1.00 0.00 C ATOM 621 C GLU A2067 0.347 12.196 2.373 1.00 0.00 C ATOM 622 O GLU A2067 -0.871 12.353 2.290 1.00 0.00 O ATOM 623 CB GLU A2067 0.633 14.634 2.912 1.00 0.00 C ATOM 624 CG GLU A2067 1.460 15.613 3.696 1.00 0.00 C ATOM 625 CD GLU A2067 1.741 15.123 5.111 1.00 0.00 C ATOM 626 OE1 GLU A2067 0.806 14.644 5.797 1.00 0.00 O ATOM 627 OE2 GLU A2067 2.901 15.204 5.565 1.00 0.00 O ATOM 0 H GLU A2067 3.303 12.846 2.908 1.00 0.00 H new ATOM 0 HA GLU A2067 1.412 13.009 3.976 1.00 0.00 H new ATOM 0 HB2 GLU A2067 0.533 14.981 1.884 1.00 0.00 H new ATOM 0 HB3 GLU A2067 -0.372 14.586 3.331 1.00 0.00 H new ATOM 0 HG2 GLU A2067 2.404 15.786 3.179 1.00 0.00 H new ATOM 0 HG3 GLU A2067 0.941 16.571 3.741 1.00 0.00 H new ATOM 634 N PHE A2068 0.948 11.102 2.070 1.00 0.00 N ATOM 635 CA PHE A2068 0.260 9.938 1.617 1.00 0.00 C ATOM 636 C PHE A2068 0.354 8.855 2.660 1.00 0.00 C ATOM 637 O PHE A2068 1.392 8.700 3.315 1.00 0.00 O ATOM 638 CB PHE A2068 0.805 9.449 0.281 1.00 0.00 C ATOM 639 CG PHE A2068 0.384 10.277 -0.903 1.00 0.00 C ATOM 640 CD1 PHE A2068 0.929 11.526 -1.140 1.00 0.00 C ATOM 641 CD2 PHE A2068 -0.550 9.786 -1.791 1.00 0.00 C ATOM 642 CE1 PHE A2068 0.547 12.262 -2.241 1.00 0.00 C ATOM 643 CE2 PHE A2068 -0.940 10.518 -2.887 1.00 0.00 C ATOM 644 CZ PHE A2068 -0.394 11.756 -3.113 1.00 0.00 C ATOM 0 H PHE A2068 1.959 10.984 2.131 1.00 0.00 H new ATOM 0 HA PHE A2068 -0.787 10.197 1.463 1.00 0.00 H new ATOM 0 HB2 PHE A2068 1.894 9.435 0.330 1.00 0.00 H new ATOM 0 HB3 PHE A2068 0.479 8.421 0.124 1.00 0.00 H new ATOM 0 HD1 PHE A2068 1.661 11.929 -0.456 1.00 0.00 H new ATOM 0 HD2 PHE A2068 -0.982 8.811 -1.622 1.00 0.00 H new ATOM 0 HE1 PHE A2068 0.984 13.233 -2.420 1.00 0.00 H new ATOM 0 HE2 PHE A2068 -1.676 10.119 -3.570 1.00 0.00 H new ATOM 0 HZ PHE A2068 -0.701 12.334 -3.973 1.00 0.00 H new ATOM 654 N ALA A2069 -0.719 8.162 2.845 1.00 0.00 N ATOM 655 CA ALA A2069 -0.804 7.075 3.782 1.00 0.00 C ATOM 656 C ALA A2069 -1.169 5.822 3.018 1.00 0.00 C ATOM 657 O ALA A2069 -1.648 5.913 1.878 1.00 0.00 O ATOM 658 CB ALA A2069 -1.849 7.383 4.844 1.00 0.00 C ATOM 0 H ALA A2069 -1.588 8.335 2.339 1.00 0.00 H new ATOM 0 HA ALA A2069 0.152 6.932 4.287 1.00 0.00 H new ATOM 0 HB1 ALA A2069 -1.906 6.554 5.549 1.00 0.00 H new ATOM 0 HB2 ALA A2069 -1.570 8.293 5.375 1.00 0.00 H new ATOM 0 HB3 ALA A2069 -2.820 7.523 4.369 1.00 0.00 H new ATOM 664 N VAL A2070 -0.949 4.673 3.613 1.00 0.00 N ATOM 665 CA VAL A2070 -1.241 3.409 2.968 1.00 0.00 C ATOM 666 C VAL A2070 -2.749 3.183 2.960 1.00 0.00 C ATOM 667 O VAL A2070 -3.417 3.400 3.982 1.00 0.00 O ATOM 668 CB VAL A2070 -0.525 2.223 3.694 1.00 0.00 C ATOM 669 CG1 VAL A2070 -0.808 0.891 3.002 1.00 0.00 C ATOM 670 CG2 VAL A2070 0.979 2.471 3.774 1.00 0.00 C ATOM 0 H VAL A2070 -0.564 4.585 4.554 1.00 0.00 H new ATOM 0 HA VAL A2070 -0.868 3.448 1.945 1.00 0.00 H new ATOM 0 HB VAL A2070 -0.926 2.166 4.706 1.00 0.00 H new ATOM 0 HG11 VAL A2070 -0.295 0.089 3.533 1.00 0.00 H new ATOM 0 HG12 VAL A2070 -1.881 0.700 3.005 1.00 0.00 H new ATOM 0 HG13 VAL A2070 -0.450 0.932 1.973 1.00 0.00 H new ATOM 0 HG21 VAL A2070 1.459 1.635 4.282 1.00 0.00 H new ATOM 0 HG22 VAL A2070 1.386 2.566 2.767 1.00 0.00 H new ATOM 0 HG23 VAL A2070 1.167 3.390 4.329 1.00 0.00 H new ATOM 680 N ASP A2071 -3.272 2.795 1.802 1.00 0.00 N ATOM 681 CA ASP A2071 -4.702 2.523 1.605 1.00 0.00 C ATOM 682 C ASP A2071 -5.258 1.552 2.648 1.00 0.00 C ATOM 683 O ASP A2071 -4.770 0.408 2.787 1.00 0.00 O ATOM 684 CB ASP A2071 -4.953 1.997 0.184 1.00 0.00 C ATOM 685 CG ASP A2071 -6.340 1.430 -0.042 1.00 0.00 C ATOM 686 OD1 ASP A2071 -7.328 2.052 0.352 1.00 0.00 O ATOM 687 OD2 ASP A2071 -6.445 0.311 -0.600 1.00 0.00 O ATOM 0 H ASP A2071 -2.713 2.657 0.960 1.00 0.00 H new ATOM 0 HA ASP A2071 -5.234 3.466 1.735 1.00 0.00 H new ATOM 0 HB2 ASP A2071 -4.786 2.808 -0.525 1.00 0.00 H new ATOM 0 HB3 ASP A2071 -4.218 1.224 -0.038 1.00 0.00 H new ATOM 692 N PRO A2072 -6.276 2.004 3.411 1.00 0.00 N ATOM 693 CA PRO A2072 -6.902 1.205 4.453 1.00 0.00 C ATOM 694 C PRO A2072 -7.572 -0.045 3.890 1.00 0.00 C ATOM 695 O PRO A2072 -7.622 -1.076 4.557 1.00 0.00 O ATOM 696 CB PRO A2072 -7.937 2.147 5.079 1.00 0.00 C ATOM 697 CG PRO A2072 -8.164 3.217 4.072 1.00 0.00 C ATOM 698 CD PRO A2072 -6.888 3.350 3.306 1.00 0.00 C ATOM 0 HA PRO A2072 -6.173 0.838 5.175 1.00 0.00 H new ATOM 0 HB2 PRO A2072 -8.863 1.618 5.304 1.00 0.00 H new ATOM 0 HB3 PRO A2072 -7.571 2.563 6.018 1.00 0.00 H new ATOM 0 HG2 PRO A2072 -8.990 2.958 3.409 1.00 0.00 H new ATOM 0 HG3 PRO A2072 -8.426 4.157 4.556 1.00 0.00 H new ATOM 0 HD2 PRO A2072 -7.071 3.627 2.268 1.00 0.00 H new ATOM 0 HD3 PRO A2072 -6.243 4.118 3.732 1.00 0.00 H new ATOM 706 N ARG A2073 -8.043 0.043 2.655 1.00 0.00 N ATOM 707 CA ARG A2073 -8.659 -1.084 1.969 1.00 0.00 C ATOM 708 C ARG A2073 -7.625 -2.191 1.790 1.00 0.00 C ATOM 709 O ARG A2073 -7.857 -3.341 2.162 1.00 0.00 O ATOM 710 CB ARG A2073 -9.165 -0.638 0.602 1.00 0.00 C ATOM 711 CG ARG A2073 -9.629 -1.761 -0.303 1.00 0.00 C ATOM 712 CD ARG A2073 -9.684 -1.287 -1.746 1.00 0.00 C ATOM 713 NE ARG A2073 -8.356 -0.807 -2.197 1.00 0.00 N ATOM 714 CZ ARG A2073 -7.869 -0.875 -3.434 1.00 0.00 C ATOM 715 NH1 ARG A2073 -8.604 -1.367 -4.438 1.00 0.00 N ATOM 716 NH2 ARG A2073 -6.638 -0.430 -3.662 1.00 0.00 N ATOM 0 H ARG A2073 -8.009 0.898 2.100 1.00 0.00 H new ATOM 0 HA ARG A2073 -9.496 -1.455 2.560 1.00 0.00 H new ATOM 0 HB2 ARG A2073 -9.991 0.058 0.746 1.00 0.00 H new ATOM 0 HB3 ARG A2073 -8.370 -0.089 0.098 1.00 0.00 H new ATOM 0 HG2 ARG A2073 -8.951 -2.610 -0.218 1.00 0.00 H new ATOM 0 HG3 ARG A2073 -10.614 -2.107 0.011 1.00 0.00 H new ATOM 0 HD2 ARG A2073 -10.018 -2.102 -2.388 1.00 0.00 H new ATOM 0 HD3 ARG A2073 -10.416 -0.486 -1.842 1.00 0.00 H new ATOM 0 HE ARG A2073 -7.756 -0.383 -1.490 1.00 0.00 H new ATOM 0 HH11 ARG A2073 -9.553 -1.697 -4.261 1.00 0.00 H new ATOM 0 HH12 ARG A2073 -8.216 -1.412 -5.380 1.00 0.00 H new ATOM 0 HH21 ARG A2073 -6.085 -0.045 -2.896 1.00 0.00 H new ATOM 0 HH22 ARG A2073 -6.246 -0.473 -4.603 1.00 0.00 H new ATOM 730 N PHE A2074 -6.480 -1.813 1.238 1.00 0.00 N ATOM 731 CA PHE A2074 -5.353 -2.704 1.005 1.00 0.00 C ATOM 732 C PHE A2074 -4.962 -3.437 2.274 1.00 0.00 C ATOM 733 O PHE A2074 -4.897 -4.671 2.297 1.00 0.00 O ATOM 734 CB PHE A2074 -4.160 -1.889 0.469 1.00 0.00 C ATOM 735 CG PHE A2074 -2.889 -2.671 0.263 1.00 0.00 C ATOM 736 CD1 PHE A2074 -2.712 -3.439 -0.868 1.00 0.00 C ATOM 737 CD2 PHE A2074 -1.870 -2.630 1.206 1.00 0.00 C ATOM 738 CE1 PHE A2074 -1.549 -4.154 -1.059 1.00 0.00 C ATOM 739 CE2 PHE A2074 -0.706 -3.342 1.018 1.00 0.00 C ATOM 740 CZ PHE A2074 -0.546 -4.104 -0.116 1.00 0.00 C ATOM 0 H PHE A2074 -6.306 -0.855 0.933 1.00 0.00 H new ATOM 0 HA PHE A2074 -5.646 -3.451 0.268 1.00 0.00 H new ATOM 0 HB2 PHE A2074 -4.447 -1.437 -0.480 1.00 0.00 H new ATOM 0 HB3 PHE A2074 -3.957 -1.073 1.163 1.00 0.00 H new ATOM 0 HD1 PHE A2074 -3.493 -3.481 -1.613 1.00 0.00 H new ATOM 0 HD2 PHE A2074 -1.992 -2.033 2.097 1.00 0.00 H new ATOM 0 HE1 PHE A2074 -1.424 -4.754 -1.948 1.00 0.00 H new ATOM 0 HE2 PHE A2074 0.079 -3.302 1.759 1.00 0.00 H new ATOM 0 HZ PHE A2074 0.366 -4.663 -0.267 1.00 0.00 H new ATOM 750 N LEU A2075 -4.743 -2.688 3.339 1.00 0.00 N ATOM 751 CA LEU A2075 -4.329 -3.285 4.578 1.00 0.00 C ATOM 752 C LEU A2075 -5.418 -4.135 5.229 1.00 0.00 C ATOM 753 O LEU A2075 -5.115 -5.119 5.892 1.00 0.00 O ATOM 754 CB LEU A2075 -3.677 -2.265 5.523 1.00 0.00 C ATOM 755 CG LEU A2075 -4.450 -1.021 5.894 1.00 0.00 C ATOM 756 CD1 LEU A2075 -5.430 -1.279 7.033 1.00 0.00 C ATOM 757 CD2 LEU A2075 -3.483 0.072 6.229 1.00 0.00 C ATOM 0 H LEU A2075 -4.846 -1.674 3.364 1.00 0.00 H new ATOM 0 HA LEU A2075 -3.542 -3.999 4.334 1.00 0.00 H new ATOM 0 HB2 LEU A2075 -3.425 -2.785 6.447 1.00 0.00 H new ATOM 0 HB3 LEU A2075 -2.738 -1.948 5.069 1.00 0.00 H new ATOM 0 HG LEU A2075 -5.055 -0.712 5.041 1.00 0.00 H new ATOM 0 HD11 LEU A2075 -5.965 -0.359 7.268 1.00 0.00 H new ATOM 0 HD12 LEU A2075 -6.143 -2.047 6.733 1.00 0.00 H new ATOM 0 HD13 LEU A2075 -4.884 -1.616 7.914 1.00 0.00 H new ATOM 0 HD21 LEU A2075 -4.032 0.974 6.498 1.00 0.00 H new ATOM 0 HD22 LEU A2075 -2.860 -0.238 7.068 1.00 0.00 H new ATOM 0 HD23 LEU A2075 -2.851 0.276 5.365 1.00 0.00 H new ATOM 769 N ALA A2076 -6.679 -3.785 5.006 1.00 0.00 N ATOM 770 CA ALA A2076 -7.789 -4.569 5.541 1.00 0.00 C ATOM 771 C ALA A2076 -7.972 -5.863 4.756 1.00 0.00 C ATOM 772 O ALA A2076 -8.341 -6.903 5.323 1.00 0.00 O ATOM 773 CB ALA A2076 -9.074 -3.769 5.547 1.00 0.00 C ATOM 0 H ALA A2076 -6.959 -2.969 4.462 1.00 0.00 H new ATOM 0 HA ALA A2076 -7.543 -4.823 6.572 1.00 0.00 H new ATOM 0 HB1 ALA A2076 -9.881 -4.380 5.951 1.00 0.00 H new ATOM 0 HB2 ALA A2076 -8.947 -2.881 6.166 1.00 0.00 H new ATOM 0 HB3 ALA A2076 -9.321 -3.469 4.529 1.00 0.00 H new ATOM 779 N TYR A2077 -7.729 -5.794 3.457 1.00 0.00 N ATOM 780 CA TYR A2077 -7.814 -6.952 2.591 1.00 0.00 C ATOM 781 C TYR A2077 -6.692 -7.914 2.910 1.00 0.00 C ATOM 782 O TYR A2077 -6.917 -9.105 3.079 1.00 0.00 O ATOM 783 CB TYR A2077 -7.735 -6.538 1.123 1.00 0.00 C ATOM 784 CG TYR A2077 -7.902 -7.705 0.188 1.00 0.00 C ATOM 785 CD1 TYR A2077 -9.157 -8.104 -0.218 1.00 0.00 C ATOM 786 CD2 TYR A2077 -6.808 -8.424 -0.263 1.00 0.00 C ATOM 787 CE1 TYR A2077 -9.323 -9.181 -1.052 1.00 0.00 C ATOM 788 CE2 TYR A2077 -6.961 -9.503 -1.095 1.00 0.00 C ATOM 789 CZ TYR A2077 -8.215 -9.881 -1.488 1.00 0.00 C ATOM 790 OH TYR A2077 -8.366 -10.958 -2.319 1.00 0.00 O ATOM 0 H TYR A2077 -7.468 -4.933 2.977 1.00 0.00 H new ATOM 0 HA TYR A2077 -8.773 -7.441 2.762 1.00 0.00 H new ATOM 0 HB2 TYR A2077 -8.506 -5.796 0.915 1.00 0.00 H new ATOM 0 HB3 TYR A2077 -6.774 -6.060 0.934 1.00 0.00 H new ATOM 0 HD1 TYR A2077 -10.024 -7.560 0.126 1.00 0.00 H new ATOM 0 HD2 TYR A2077 -5.816 -8.129 0.046 1.00 0.00 H new ATOM 0 HE1 TYR A2077 -10.313 -9.479 -1.365 1.00 0.00 H new ATOM 0 HE2 TYR A2077 -6.096 -10.051 -1.438 1.00 0.00 H new ATOM 0 HH TYR A2077 -7.486 -11.334 -2.530 1.00 0.00 H new ATOM 800 N MET A2078 -5.481 -7.379 3.021 1.00 0.00 N ATOM 801 CA MET A2078 -4.291 -8.180 3.330 1.00 0.00 C ATOM 802 C MET A2078 -4.458 -8.864 4.690 1.00 0.00 C ATOM 803 O MET A2078 -3.930 -9.941 4.937 1.00 0.00 O ATOM 804 CB MET A2078 -3.048 -7.279 3.343 1.00 0.00 C ATOM 805 CG MET A2078 -1.738 -8.020 3.560 1.00 0.00 C ATOM 806 SD MET A2078 -0.314 -6.914 3.648 1.00 0.00 S ATOM 807 CE MET A2078 1.011 -8.110 3.824 1.00 0.00 C ATOM 0 H MET A2078 -5.292 -6.384 2.901 1.00 0.00 H new ATOM 0 HA MET A2078 -4.168 -8.946 2.564 1.00 0.00 H new ATOM 0 HB2 MET A2078 -2.994 -6.741 2.397 1.00 0.00 H new ATOM 0 HB3 MET A2078 -3.164 -6.532 4.129 1.00 0.00 H new ATOM 0 HG2 MET A2078 -1.801 -8.597 4.482 1.00 0.00 H new ATOM 0 HG3 MET A2078 -1.590 -8.732 2.748 1.00 0.00 H new ATOM 0 HE1 MET A2078 1.966 -7.588 3.892 1.00 0.00 H new ATOM 0 HE2 MET A2078 0.853 -8.697 4.728 1.00 0.00 H new ATOM 0 HE3 MET A2078 1.021 -8.772 2.958 1.00 0.00 H new ATOM 817 N GLU A2079 -5.222 -8.225 5.539 1.00 0.00 N ATOM 818 CA GLU A2079 -5.518 -8.688 6.863 1.00 0.00 C ATOM 819 C GLU A2079 -6.465 -9.903 6.849 1.00 0.00 C ATOM 820 O GLU A2079 -6.425 -10.742 7.759 1.00 0.00 O ATOM 821 CB GLU A2079 -6.133 -7.549 7.665 1.00 0.00 C ATOM 822 CG GLU A2079 -6.370 -7.864 9.115 1.00 0.00 C ATOM 823 CD GLU A2079 -5.086 -8.111 9.877 1.00 0.00 C ATOM 824 OE1 GLU A2079 -4.370 -9.104 9.606 1.00 0.00 O ATOM 825 OE2 GLU A2079 -4.758 -7.308 10.756 1.00 0.00 O ATOM 0 H GLU A2079 -5.669 -7.336 5.315 1.00 0.00 H new ATOM 0 HA GLU A2079 -4.587 -9.012 7.328 1.00 0.00 H new ATOM 0 HB2 GLU A2079 -5.479 -6.680 7.597 1.00 0.00 H new ATOM 0 HB3 GLU A2079 -7.082 -7.270 7.207 1.00 0.00 H new ATOM 0 HG2 GLU A2079 -6.909 -7.038 9.578 1.00 0.00 H new ATOM 0 HG3 GLU A2079 -7.008 -8.744 9.192 1.00 0.00 H new ATOM 832 N ASP A2080 -7.335 -9.973 5.841 1.00 0.00 N ATOM 833 CA ASP A2080 -8.353 -11.039 5.752 1.00 0.00 C ATOM 834 C ASP A2080 -7.733 -12.421 5.804 1.00 0.00 C ATOM 835 O ASP A2080 -8.173 -13.283 6.583 1.00 0.00 O ATOM 836 CB ASP A2080 -9.205 -10.912 4.488 1.00 0.00 C ATOM 837 CG ASP A2080 -10.261 -11.999 4.399 1.00 0.00 C ATOM 838 OD1 ASP A2080 -11.313 -11.876 5.065 1.00 0.00 O ATOM 839 OD2 ASP A2080 -10.064 -12.997 3.677 1.00 0.00 O ATOM 0 H ASP A2080 -7.361 -9.306 5.070 1.00 0.00 H new ATOM 0 HA ASP A2080 -8.997 -10.912 6.622 1.00 0.00 H new ATOM 0 HB2 ASP A2080 -9.689 -9.935 4.474 1.00 0.00 H new ATOM 0 HB3 ASP A2080 -8.560 -10.961 3.610 1.00 0.00 H new ATOM 844 N ARG A2081 -6.701 -12.626 5.023 1.00 0.00 N ATOM 845 CA ARG A2081 -6.040 -13.902 5.003 1.00 0.00 C ATOM 846 C ARG A2081 -5.184 -14.026 6.239 1.00 0.00 C ATOM 847 O ARG A2081 -4.490 -13.076 6.611 1.00 0.00 O ATOM 848 CB ARG A2081 -5.224 -14.106 3.725 1.00 0.00 C ATOM 849 CG ARG A2081 -6.061 -13.968 2.461 1.00 0.00 C ATOM 850 CD ARG A2081 -5.302 -14.402 1.216 1.00 0.00 C ATOM 851 NE ARG A2081 -4.025 -13.698 1.047 1.00 0.00 N ATOM 852 CZ ARG A2081 -3.424 -13.458 -0.127 1.00 0.00 C ATOM 853 NH1 ARG A2081 -4.025 -13.760 -1.283 1.00 0.00 N ATOM 854 NH2 ARG A2081 -2.225 -12.911 -0.135 1.00 0.00 N ATOM 0 H ARG A2081 -6.304 -11.927 4.396 1.00 0.00 H new ATOM 0 HA ARG A2081 -6.792 -14.691 5.005 1.00 0.00 H new ATOM 0 HB2 ARG A2081 -4.412 -13.379 3.698 1.00 0.00 H new ATOM 0 HB3 ARG A2081 -4.766 -15.095 3.746 1.00 0.00 H new ATOM 0 HG2 ARG A2081 -6.966 -14.568 2.560 1.00 0.00 H new ATOM 0 HG3 ARG A2081 -6.377 -12.931 2.348 1.00 0.00 H new ATOM 0 HD2 ARG A2081 -5.115 -15.475 1.267 1.00 0.00 H new ATOM 0 HD3 ARG A2081 -5.925 -14.228 0.339 1.00 0.00 H new ATOM 0 HE ARG A2081 -3.558 -13.365 1.890 1.00 0.00 H new ATOM 0 HH11 ARG A2081 -4.955 -14.179 -1.280 1.00 0.00 H new ATOM 0 HH12 ARG A2081 -3.554 -13.571 -2.168 1.00 0.00 H new ATOM 0 HH21 ARG A2081 -1.766 -12.676 0.745 1.00 0.00 H new ATOM 0 HH22 ARG A2081 -1.756 -12.723 -1.021 1.00 0.00 H new ATOM 868 N ARG A2082 -5.285 -15.170 6.898 1.00 0.00 N ATOM 869 CA ARG A2082 -4.603 -15.409 8.156 1.00 0.00 C ATOM 870 C ARG A2082 -3.095 -15.165 8.072 1.00 0.00 C ATOM 871 O ARG A2082 -2.374 -15.803 7.285 1.00 0.00 O ATOM 872 CB ARG A2082 -4.928 -16.813 8.741 1.00 0.00 C ATOM 873 CG ARG A2082 -4.533 -17.998 7.861 1.00 0.00 C ATOM 874 CD ARG A2082 -4.911 -19.336 8.505 1.00 0.00 C ATOM 875 NE ARG A2082 -4.538 -20.483 7.644 1.00 0.00 N ATOM 876 CZ ARG A2082 -4.398 -21.770 8.048 1.00 0.00 C ATOM 877 NH1 ARG A2082 -4.465 -22.093 9.339 1.00 0.00 N ATOM 878 NH2 ARG A2082 -4.158 -22.720 7.147 1.00 0.00 N ATOM 0 H ARG A2082 -5.844 -15.959 6.573 1.00 0.00 H new ATOM 0 HA ARG A2082 -4.995 -14.669 8.854 1.00 0.00 H new ATOM 0 HB2 ARG A2082 -4.424 -16.913 9.702 1.00 0.00 H new ATOM 0 HB3 ARG A2082 -5.999 -16.868 8.935 1.00 0.00 H new ATOM 0 HG2 ARG A2082 -5.023 -17.910 6.891 1.00 0.00 H new ATOM 0 HG3 ARG A2082 -3.459 -17.973 7.679 1.00 0.00 H new ATOM 0 HD2 ARG A2082 -4.414 -19.429 9.470 1.00 0.00 H new ATOM 0 HD3 ARG A2082 -5.984 -19.358 8.696 1.00 0.00 H new ATOM 0 HE ARG A2082 -4.371 -20.286 6.657 1.00 0.00 H new ATOM 0 HH11 ARG A2082 -4.624 -21.368 10.039 1.00 0.00 H new ATOM 0 HH12 ARG A2082 -4.358 -23.065 9.628 1.00 0.00 H new ATOM 0 HH21 ARG A2082 -4.080 -22.478 6.159 1.00 0.00 H new ATOM 0 HH22 ARG A2082 -4.052 -23.690 7.444 1.00 0.00 H new ATOM 892 N LYS A2083 -2.651 -14.187 8.840 1.00 0.00 N ATOM 893 CA LYS A2083 -1.244 -13.880 8.980 1.00 0.00 C ATOM 894 C LYS A2083 -0.649 -15.016 9.746 1.00 0.00 C ATOM 895 O LYS A2083 0.337 -15.640 9.335 1.00 0.00 O ATOM 896 CB LYS A2083 -1.069 -12.590 9.778 1.00 0.00 C ATOM 897 CG LYS A2083 -1.751 -11.383 9.172 1.00 0.00 C ATOM 898 CD LYS A2083 -1.084 -10.940 7.890 1.00 0.00 C ATOM 899 CE LYS A2083 -1.832 -9.777 7.270 1.00 0.00 C ATOM 900 NZ LYS A2083 -2.081 -8.691 8.244 1.00 0.00 N ATOM 0 H LYS A2083 -3.263 -13.581 9.387 1.00 0.00 H new ATOM 0 HA LYS A2083 -0.768 -13.748 8.008 1.00 0.00 H new ATOM 0 HB2 LYS A2083 -1.457 -12.744 10.785 1.00 0.00 H new ATOM 0 HB3 LYS A2083 -0.004 -12.379 9.876 1.00 0.00 H new ATOM 0 HG2 LYS A2083 -2.797 -11.619 8.974 1.00 0.00 H new ATOM 0 HG3 LYS A2083 -1.740 -10.562 9.889 1.00 0.00 H new ATOM 0 HD2 LYS A2083 -0.053 -10.649 8.092 1.00 0.00 H new ATOM 0 HD3 LYS A2083 -1.048 -11.772 7.187 1.00 0.00 H new ATOM 0 HE2 LYS A2083 -1.259 -9.385 6.430 1.00 0.00 H new ATOM 0 HE3 LYS A2083 -2.783 -10.130 6.871 1.00 0.00 H new ATOM 0 HZ1 LYS A2083 -2.326 -7.818 7.735 1.00 0.00 H new ATOM 0 HZ2 LYS A2083 -2.867 -8.959 8.869 1.00 0.00 H new ATOM 0 HZ3 LYS A2083 -1.225 -8.532 8.813 1.00 0.00 H new ATOM 914 N GLN A2084 -1.288 -15.312 10.851 1.00 0.00 N ATOM 915 CA GLN A2084 -0.959 -16.448 11.630 1.00 0.00 C ATOM 916 C GLN A2084 -1.631 -17.625 10.991 1.00 0.00 C ATOM 917 O GLN A2084 -2.804 -17.891 11.229 1.00 0.00 O ATOM 918 CB GLN A2084 -1.411 -16.265 13.093 1.00 0.00 C ATOM 919 CG GLN A2084 -1.227 -17.488 14.011 1.00 0.00 C ATOM 920 CD GLN A2084 0.193 -18.023 14.062 1.00 0.00 C ATOM 921 OE1 GLN A2084 1.161 -17.292 13.858 1.00 0.00 O ATOM 922 NE2 GLN A2084 0.334 -19.279 14.396 1.00 0.00 N ATOM 0 H GLN A2084 -2.057 -14.756 11.226 1.00 0.00 H new ATOM 0 HA GLN A2084 0.120 -16.598 11.661 1.00 0.00 H new ATOM 0 HB2 GLN A2084 -0.860 -15.427 13.521 1.00 0.00 H new ATOM 0 HB3 GLN A2084 -2.465 -15.988 13.096 1.00 0.00 H new ATOM 0 HG2 GLN A2084 -1.538 -17.220 15.021 1.00 0.00 H new ATOM 0 HG3 GLN A2084 -1.891 -18.284 13.674 1.00 0.00 H new ATOM 0 HE21 GLN A2084 -0.489 -19.859 14.558 1.00 0.00 H new ATOM 0 HE22 GLN A2084 1.267 -19.679 14.494 1.00 0.00 H new ATOM 931 N LYS A2085 -0.933 -18.216 10.058 1.00 0.00 N ATOM 932 CA LYS A2085 -1.413 -19.386 9.404 1.00 0.00 C ATOM 933 C LYS A2085 -1.401 -20.552 10.405 1.00 0.00 C ATOM 934 O LYS A2085 -2.416 -20.824 11.027 1.00 0.00 O ATOM 935 CB LYS A2085 -0.666 -19.612 8.048 1.00 0.00 C ATOM 936 CG LYS A2085 0.872 -19.621 8.124 1.00 0.00 C ATOM 937 CD LYS A2085 1.589 -19.424 6.760 1.00 0.00 C ATOM 938 CE LYS A2085 1.171 -20.407 5.649 1.00 0.00 C ATOM 939 NZ LYS A2085 -0.087 -20.004 4.965 1.00 0.00 N ATOM 0 H LYS A2085 -0.020 -17.895 9.737 1.00 0.00 H new ATOM 0 HA LYS A2085 -2.453 -19.283 9.095 1.00 0.00 H new ATOM 0 HB2 LYS A2085 -0.996 -20.562 7.627 1.00 0.00 H new ATOM 0 HB3 LYS A2085 -0.972 -18.831 7.352 1.00 0.00 H new ATOM 0 HG2 LYS A2085 1.193 -18.833 8.805 1.00 0.00 H new ATOM 0 HG3 LYS A2085 1.196 -20.568 8.556 1.00 0.00 H new ATOM 0 HD2 LYS A2085 1.402 -18.408 6.413 1.00 0.00 H new ATOM 0 HD3 LYS A2085 2.664 -19.514 6.917 1.00 0.00 H new ATOM 0 HE2 LYS A2085 1.972 -20.478 4.913 1.00 0.00 H new ATOM 0 HE3 LYS A2085 1.043 -21.401 6.079 1.00 0.00 H new ATOM 0 HZ1 LYS A2085 -0.068 -20.336 3.980 1.00 0.00 H new ATOM 0 HZ2 LYS A2085 -0.900 -20.426 5.457 1.00 0.00 H new ATOM 0 HZ3 LYS A2085 -0.173 -18.968 4.979 1.00 0.00 H new TER 953 LYS A2085