USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=8 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 Set 1.1: A2060 MET CE :methyl -165:sc= -0.0555 (180deg=-0.36) USER MOD Set 1.2: A2063 GLN : amide:sc= 0 X(o=-0.055,f=-0.055) USER MOD Single : A2034 THR OG1 : rot 2:sc= 1.21 USER MOD Single : A2040 ASN : amide:sc= 3.05 K(o=3,f=-8.2!) USER MOD Single : A2041 LYS NZ :NH3+ -135:sc= -0.608 (180deg=-2.54!) USER MOD Single : A2045 THR OG1 : rot -39:sc= 1.25 USER MOD Single : A2065 HIS : no HE2:sc= 1.12 K(o=1.1,f=-4.7!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A2084 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A2085 LYS NZ :NH3+ -110:sc= 0.666 (180deg=-0.139) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A2028 9.202 -9.467 4.799 1.00 0.00 N ATOM 2 CA LEU A2028 8.100 -8.579 4.412 1.00 0.00 C ATOM 3 C LEU A2028 7.243 -9.186 3.288 1.00 0.00 C ATOM 4 O LEU A2028 7.706 -9.336 2.155 1.00 0.00 O ATOM 5 CB LEU A2028 8.655 -7.211 3.998 1.00 0.00 C ATOM 6 CG LEU A2028 9.462 -6.466 5.076 1.00 0.00 C ATOM 7 CD1 LEU A2028 10.036 -5.177 4.518 1.00 0.00 C ATOM 8 CD2 LEU A2028 8.597 -6.179 6.306 1.00 0.00 C ATOM 0 HA LEU A2028 7.448 -8.453 5.276 1.00 0.00 H new ATOM 0 HB2 LEU A2028 9.291 -7.347 3.123 1.00 0.00 H new ATOM 0 HB3 LEU A2028 7.822 -6.579 3.692 1.00 0.00 H new ATOM 0 HG LEU A2028 10.288 -7.108 5.383 1.00 0.00 H new ATOM 0 HD11 LEU A2028 10.603 -4.665 5.295 1.00 0.00 H new ATOM 0 HD12 LEU A2028 10.694 -5.405 3.679 1.00 0.00 H new ATOM 0 HD13 LEU A2028 9.224 -4.534 4.178 1.00 0.00 H new ATOM 0 HD21 LEU A2028 9.190 -5.652 7.053 1.00 0.00 H new ATOM 0 HD22 LEU A2028 7.746 -5.562 6.017 1.00 0.00 H new ATOM 0 HD23 LEU A2028 8.237 -7.119 6.725 1.00 0.00 H new ATOM 20 N ASP A2029 6.000 -9.512 3.642 1.00 0.00 N ATOM 21 CA ASP A2029 5.002 -10.196 2.777 1.00 0.00 C ATOM 22 C ASP A2029 4.705 -9.450 1.484 1.00 0.00 C ATOM 23 O ASP A2029 4.470 -10.070 0.442 1.00 0.00 O ATOM 24 CB ASP A2029 3.714 -10.417 3.575 1.00 0.00 C ATOM 25 CG ASP A2029 2.559 -10.983 2.775 1.00 0.00 C ATOM 26 OD1 ASP A2029 2.602 -12.166 2.384 1.00 0.00 O ATOM 27 OD2 ASP A2029 1.537 -10.299 2.632 1.00 0.00 O ATOM 0 H ASP A2029 5.633 -9.305 4.571 1.00 0.00 H new ATOM 0 HA ASP A2029 5.435 -11.150 2.477 1.00 0.00 H new ATOM 0 HB2 ASP A2029 3.928 -11.092 4.404 1.00 0.00 H new ATOM 0 HB3 ASP A2029 3.405 -9.466 4.009 1.00 0.00 H new ATOM 32 N VAL A2030 4.752 -8.122 1.540 1.00 0.00 N ATOM 33 CA VAL A2030 4.519 -7.272 0.356 1.00 0.00 C ATOM 34 C VAL A2030 5.667 -7.486 -0.679 1.00 0.00 C ATOM 35 O VAL A2030 5.576 -7.101 -1.848 1.00 0.00 O ATOM 36 CB VAL A2030 4.410 -5.763 0.795 1.00 0.00 C ATOM 37 CG1 VAL A2030 4.218 -4.817 -0.360 1.00 0.00 C ATOM 38 CG2 VAL A2030 3.292 -5.578 1.811 1.00 0.00 C ATOM 0 H VAL A2030 4.950 -7.600 2.394 1.00 0.00 H new ATOM 0 HA VAL A2030 3.579 -7.551 -0.120 1.00 0.00 H new ATOM 0 HB VAL A2030 5.367 -5.512 1.252 1.00 0.00 H new ATOM 0 HG11 VAL A2030 4.151 -3.795 0.014 1.00 0.00 H new ATOM 0 HG12 VAL A2030 5.064 -4.899 -1.042 1.00 0.00 H new ATOM 0 HG13 VAL A2030 3.300 -5.071 -0.889 1.00 0.00 H new ATOM 0 HG21 VAL A2030 3.234 -4.529 2.101 1.00 0.00 H new ATOM 0 HG22 VAL A2030 2.344 -5.885 1.369 1.00 0.00 H new ATOM 0 HG23 VAL A2030 3.496 -6.187 2.692 1.00 0.00 H new ATOM 48 N ASP A2031 6.769 -8.075 -0.189 1.00 0.00 N ATOM 49 CA ASP A2031 7.971 -8.486 -0.974 1.00 0.00 C ATOM 50 C ASP A2031 8.667 -7.306 -1.655 1.00 0.00 C ATOM 51 O ASP A2031 9.617 -7.471 -2.406 1.00 0.00 O ATOM 52 CB ASP A2031 7.627 -9.584 -1.997 1.00 0.00 C ATOM 53 CG ASP A2031 8.849 -10.377 -2.428 1.00 0.00 C ATOM 54 OD1 ASP A2031 9.321 -11.223 -1.628 1.00 0.00 O ATOM 55 OD2 ASP A2031 9.355 -10.186 -3.561 1.00 0.00 O ATOM 0 H ASP A2031 6.863 -8.292 0.803 1.00 0.00 H new ATOM 0 HA ASP A2031 8.678 -8.897 -0.254 1.00 0.00 H new ATOM 0 HB2 ASP A2031 6.891 -10.262 -1.565 1.00 0.00 H new ATOM 0 HB3 ASP A2031 7.165 -9.129 -2.873 1.00 0.00 H new ATOM 60 N LEU A2032 8.174 -6.116 -1.352 1.00 0.00 N ATOM 61 CA LEU A2032 8.659 -4.835 -1.853 1.00 0.00 C ATOM 62 C LEU A2032 8.298 -4.573 -3.330 1.00 0.00 C ATOM 63 O LEU A2032 8.354 -3.428 -3.789 1.00 0.00 O ATOM 64 CB LEU A2032 10.161 -4.647 -1.593 1.00 0.00 C ATOM 65 CG LEU A2032 10.607 -4.830 -0.134 1.00 0.00 C ATOM 66 CD1 LEU A2032 12.082 -4.570 0.006 1.00 0.00 C ATOM 67 CD2 LEU A2032 9.814 -3.939 0.800 1.00 0.00 C ATOM 0 H LEU A2032 7.383 -6.009 -0.717 1.00 0.00 H new ATOM 0 HA LEU A2032 8.127 -4.077 -1.278 1.00 0.00 H new ATOM 0 HB2 LEU A2032 10.711 -5.354 -2.214 1.00 0.00 H new ATOM 0 HB3 LEU A2032 10.446 -3.647 -1.919 1.00 0.00 H new ATOM 0 HG LEU A2032 10.411 -5.864 0.148 1.00 0.00 H new ATOM 0 HD11 LEU A2032 12.378 -4.705 1.046 1.00 0.00 H new ATOM 0 HD12 LEU A2032 12.636 -5.268 -0.622 1.00 0.00 H new ATOM 0 HD13 LEU A2032 12.303 -3.549 -0.305 1.00 0.00 H new ATOM 0 HD21 LEU A2032 10.153 -4.092 1.824 1.00 0.00 H new ATOM 0 HD22 LEU A2032 9.962 -2.896 0.521 1.00 0.00 H new ATOM 0 HD23 LEU A2032 8.755 -4.187 0.728 1.00 0.00 H new ATOM 79 N GLU A2033 7.890 -5.597 -4.056 1.00 0.00 N ATOM 80 CA GLU A2033 7.572 -5.423 -5.464 1.00 0.00 C ATOM 81 C GLU A2033 6.100 -5.058 -5.664 1.00 0.00 C ATOM 82 O GLU A2033 5.712 -4.537 -6.703 1.00 0.00 O ATOM 83 CB GLU A2033 7.981 -6.687 -6.263 1.00 0.00 C ATOM 84 CG GLU A2033 7.263 -8.000 -5.892 1.00 0.00 C ATOM 85 CD GLU A2033 5.838 -8.079 -6.413 1.00 0.00 C ATOM 86 OE1 GLU A2033 5.652 -8.040 -7.659 1.00 0.00 O ATOM 87 OE2 GLU A2033 4.892 -8.184 -5.603 1.00 0.00 O ATOM 0 H GLU A2033 7.772 -6.546 -3.702 1.00 0.00 H new ATOM 0 HA GLU A2033 8.150 -4.584 -5.852 1.00 0.00 H new ATOM 0 HB2 GLU A2033 7.809 -6.492 -7.321 1.00 0.00 H new ATOM 0 HB3 GLU A2033 9.053 -6.838 -6.137 1.00 0.00 H new ATOM 0 HG2 GLU A2033 7.833 -8.841 -6.287 1.00 0.00 H new ATOM 0 HG3 GLU A2033 7.251 -8.104 -4.807 1.00 0.00 H new ATOM 94 N THR A2034 5.317 -5.302 -4.645 1.00 0.00 N ATOM 95 CA THR A2034 3.908 -5.021 -4.649 1.00 0.00 C ATOM 96 C THR A2034 3.651 -3.502 -4.587 1.00 0.00 C ATOM 97 O THR A2034 4.283 -2.786 -3.798 1.00 0.00 O ATOM 98 CB THR A2034 3.277 -5.775 -3.458 1.00 0.00 C ATOM 99 OG1 THR A2034 3.291 -7.189 -3.698 1.00 0.00 O ATOM 100 CG2 THR A2034 1.886 -5.307 -3.070 1.00 0.00 C ATOM 0 H THR A2034 5.650 -5.710 -3.772 1.00 0.00 H new ATOM 0 HA THR A2034 3.447 -5.364 -5.575 1.00 0.00 H new ATOM 0 HB THR A2034 3.904 -5.537 -2.599 1.00 0.00 H new ATOM 0 HG1 THR A2034 3.724 -7.371 -4.558 1.00 0.00 H new ATOM 0 HG21 THR A2034 1.527 -5.895 -2.225 1.00 0.00 H new ATOM 0 HG22 THR A2034 1.921 -4.254 -2.790 1.00 0.00 H new ATOM 0 HG23 THR A2034 1.210 -5.436 -3.915 1.00 0.00 H new ATOM 108 N ARG A2035 2.773 -3.024 -5.459 1.00 0.00 N ATOM 109 CA ARG A2035 2.417 -1.617 -5.522 1.00 0.00 C ATOM 110 C ARG A2035 1.425 -1.260 -4.450 1.00 0.00 C ATOM 111 O ARG A2035 0.274 -1.723 -4.468 1.00 0.00 O ATOM 112 CB ARG A2035 1.855 -1.244 -6.891 1.00 0.00 C ATOM 113 CG ARG A2035 2.832 -1.393 -8.040 1.00 0.00 C ATOM 114 CD ARG A2035 2.189 -0.879 -9.296 1.00 0.00 C ATOM 115 NE ARG A2035 3.072 -0.896 -10.472 1.00 0.00 N ATOM 116 CZ ARG A2035 3.278 0.164 -11.279 1.00 0.00 C ATOM 117 NH1 ARG A2035 2.904 1.376 -10.894 1.00 0.00 N ATOM 118 NH2 ARG A2035 3.895 0.007 -12.440 1.00 0.00 N ATOM 0 H ARG A2035 2.288 -3.604 -6.143 1.00 0.00 H new ATOM 0 HA ARG A2035 3.332 -1.048 -5.358 1.00 0.00 H new ATOM 0 HB2 ARG A2035 0.982 -1.865 -7.092 1.00 0.00 H new ATOM 0 HB3 ARG A2035 1.510 -0.211 -6.857 1.00 0.00 H new ATOM 0 HG2 ARG A2035 3.747 -0.839 -7.831 1.00 0.00 H new ATOM 0 HG3 ARG A2035 3.114 -2.439 -8.162 1.00 0.00 H new ATOM 0 HD2 ARG A2035 1.304 -1.479 -9.510 1.00 0.00 H new ATOM 0 HD3 ARG A2035 1.848 0.142 -9.125 1.00 0.00 H new ATOM 0 HE ARG A2035 3.559 -1.765 -10.691 1.00 0.00 H new ATOM 0 HH11 ARG A2035 2.459 1.508 -9.986 1.00 0.00 H new ATOM 0 HH12 ARG A2035 3.061 2.177 -11.506 1.00 0.00 H new ATOM 0 HH21 ARG A2035 4.216 -0.918 -12.726 1.00 0.00 H new ATOM 0 HH22 ARG A2035 4.049 0.811 -13.048 1.00 0.00 H new ATOM 132 N ILE A2036 1.875 -0.470 -3.509 1.00 0.00 N ATOM 133 CA ILE A2036 1.048 -0.004 -2.424 1.00 0.00 C ATOM 134 C ILE A2036 0.229 1.204 -2.873 1.00 0.00 C ATOM 135 O ILE A2036 0.797 2.234 -3.247 1.00 0.00 O ATOM 136 CB ILE A2036 1.916 0.399 -1.195 1.00 0.00 C ATOM 137 CG1 ILE A2036 2.714 -0.799 -0.675 1.00 0.00 C ATOM 138 CG2 ILE A2036 1.062 1.005 -0.079 1.00 0.00 C ATOM 139 CD1 ILE A2036 1.855 -1.949 -0.185 1.00 0.00 C ATOM 0 H ILE A2036 2.835 -0.128 -3.474 1.00 0.00 H new ATOM 0 HA ILE A2036 0.382 -0.817 -2.136 1.00 0.00 H new ATOM 0 HB ILE A2036 2.619 1.163 -1.526 1.00 0.00 H new ATOM 0 HG12 ILE A2036 3.367 -1.160 -1.470 1.00 0.00 H new ATOM 0 HG13 ILE A2036 3.358 -0.467 0.140 1.00 0.00 H new ATOM 0 HG21 ILE A2036 1.701 1.274 0.762 1.00 0.00 H new ATOM 0 HG22 ILE A2036 0.557 1.896 -0.451 1.00 0.00 H new ATOM 0 HG23 ILE A2036 0.320 0.277 0.248 1.00 0.00 H new ATOM 0 HD11 ILE A2036 2.496 -2.758 0.167 1.00 0.00 H new ATOM 0 HD12 ILE A2036 1.221 -1.607 0.633 1.00 0.00 H new ATOM 0 HD13 ILE A2036 1.230 -2.310 -1.002 1.00 0.00 H new ATOM 151 N PRO A2037 -1.102 1.083 -2.886 1.00 0.00 N ATOM 152 CA PRO A2037 -1.963 2.198 -3.178 1.00 0.00 C ATOM 153 C PRO A2037 -1.963 3.153 -2.000 1.00 0.00 C ATOM 154 O PRO A2037 -2.226 2.753 -0.848 1.00 0.00 O ATOM 155 CB PRO A2037 -3.352 1.577 -3.368 1.00 0.00 C ATOM 156 CG PRO A2037 -3.139 0.106 -3.377 1.00 0.00 C ATOM 157 CD PRO A2037 -1.865 -0.135 -2.629 1.00 0.00 C ATOM 0 HA PRO A2037 -1.648 2.762 -4.056 1.00 0.00 H new ATOM 0 HB2 PRO A2037 -4.025 1.870 -2.562 1.00 0.00 H new ATOM 0 HB3 PRO A2037 -3.806 1.912 -4.300 1.00 0.00 H new ATOM 0 HG2 PRO A2037 -3.973 -0.411 -2.903 1.00 0.00 H new ATOM 0 HG3 PRO A2037 -3.069 -0.271 -4.397 1.00 0.00 H new ATOM 0 HD2 PRO A2037 -2.043 -0.283 -1.564 1.00 0.00 H new ATOM 0 HD3 PRO A2037 -1.345 -1.022 -2.991 1.00 0.00 H new ATOM 165 N VAL A2038 -1.643 4.375 -2.262 1.00 0.00 N ATOM 166 CA VAL A2038 -1.555 5.358 -1.223 1.00 0.00 C ATOM 167 C VAL A2038 -2.596 6.430 -1.388 1.00 0.00 C ATOM 168 O VAL A2038 -2.960 6.795 -2.512 1.00 0.00 O ATOM 169 CB VAL A2038 -0.143 5.992 -1.108 1.00 0.00 C ATOM 170 CG1 VAL A2038 0.852 4.981 -0.560 1.00 0.00 C ATOM 171 CG2 VAL A2038 0.332 6.515 -2.463 1.00 0.00 C ATOM 0 H VAL A2038 -1.435 4.725 -3.197 1.00 0.00 H new ATOM 0 HA VAL A2038 -1.746 4.825 -0.292 1.00 0.00 H new ATOM 0 HB VAL A2038 -0.207 6.833 -0.417 1.00 0.00 H new ATOM 0 HG11 VAL A2038 1.837 5.443 -0.486 1.00 0.00 H new ATOM 0 HG12 VAL A2038 0.530 4.653 0.428 1.00 0.00 H new ATOM 0 HG13 VAL A2038 0.903 4.122 -1.229 1.00 0.00 H new ATOM 0 HG21 VAL A2038 1.324 6.955 -2.356 1.00 0.00 H new ATOM 0 HG22 VAL A2038 0.375 5.692 -3.176 1.00 0.00 H new ATOM 0 HG23 VAL A2038 -0.363 7.272 -2.825 1.00 0.00 H new ATOM 181 N ILE A2039 -3.085 6.905 -0.280 1.00 0.00 N ATOM 182 CA ILE A2039 -4.069 7.939 -0.254 1.00 0.00 C ATOM 183 C ILE A2039 -3.548 9.099 0.572 1.00 0.00 C ATOM 184 O ILE A2039 -3.051 8.911 1.681 1.00 0.00 O ATOM 185 CB ILE A2039 -5.447 7.432 0.299 1.00 0.00 C ATOM 186 CG1 ILE A2039 -6.499 8.564 0.284 1.00 0.00 C ATOM 187 CG2 ILE A2039 -5.307 6.815 1.700 1.00 0.00 C ATOM 188 CD1 ILE A2039 -7.885 8.140 0.736 1.00 0.00 C ATOM 0 H ILE A2039 -2.805 6.577 0.644 1.00 0.00 H new ATOM 0 HA ILE A2039 -4.249 8.268 -1.277 1.00 0.00 H new ATOM 0 HB ILE A2039 -5.796 6.641 -0.365 1.00 0.00 H new ATOM 0 HG12 ILE A2039 -6.153 9.373 0.927 1.00 0.00 H new ATOM 0 HG13 ILE A2039 -6.567 8.966 -0.727 1.00 0.00 H new ATOM 0 HG21 ILE A2039 -6.283 6.476 2.048 1.00 0.00 H new ATOM 0 HG22 ILE A2039 -4.623 5.968 1.658 1.00 0.00 H new ATOM 0 HG23 ILE A2039 -4.916 7.563 2.390 1.00 0.00 H new ATOM 0 HD11 ILE A2039 -8.559 8.996 0.694 1.00 0.00 H new ATOM 0 HD12 ILE A2039 -8.257 7.353 0.080 1.00 0.00 H new ATOM 0 HD13 ILE A2039 -7.836 7.767 1.759 1.00 0.00 H new ATOM 200 N ASN A2040 -3.596 10.271 0.016 1.00 0.00 N ATOM 201 CA ASN A2040 -3.171 11.455 0.728 1.00 0.00 C ATOM 202 C ASN A2040 -4.150 11.717 1.847 1.00 0.00 C ATOM 203 O ASN A2040 -5.353 11.762 1.615 1.00 0.00 O ATOM 204 CB ASN A2040 -3.117 12.665 -0.195 1.00 0.00 C ATOM 205 CG ASN A2040 -2.479 13.869 0.468 1.00 0.00 C ATOM 206 OD1 ASN A2040 -3.130 14.627 1.156 1.00 0.00 O ATOM 207 ND2 ASN A2040 -1.223 14.056 0.236 1.00 0.00 N ATOM 0 H ASN A2040 -3.926 10.442 -0.934 1.00 0.00 H new ATOM 0 HA ASN A2040 -2.169 11.290 1.123 1.00 0.00 H new ATOM 0 HB2 ASN A2040 -2.556 12.408 -1.093 1.00 0.00 H new ATOM 0 HB3 ASN A2040 -4.128 12.922 -0.513 1.00 0.00 H new ATOM 0 HD21 ASN A2040 -0.745 14.863 0.637 1.00 0.00 H new ATOM 0 HD22 ASN A2040 -0.709 13.397 -0.348 1.00 0.00 H new ATOM 214 N LYS A2041 -3.641 11.865 3.038 1.00 0.00 N ATOM 215 CA LYS A2041 -4.459 12.065 4.219 1.00 0.00 C ATOM 216 C LYS A2041 -5.239 13.370 4.172 1.00 0.00 C ATOM 217 O LYS A2041 -6.397 13.437 4.592 1.00 0.00 O ATOM 218 CB LYS A2041 -3.586 12.035 5.455 1.00 0.00 C ATOM 219 CG LYS A2041 -2.926 10.693 5.675 1.00 0.00 C ATOM 220 CD LYS A2041 -1.971 10.668 6.866 1.00 0.00 C ATOM 221 CE LYS A2041 -2.657 10.813 8.248 1.00 0.00 C ATOM 222 NZ LYS A2041 -3.118 12.192 8.562 1.00 0.00 N ATOM 0 H LYS A2041 -2.639 11.851 3.226 1.00 0.00 H new ATOM 0 HA LYS A2041 -5.186 11.254 4.252 1.00 0.00 H new ATOM 0 HB2 LYS A2041 -2.817 12.803 5.370 1.00 0.00 H new ATOM 0 HB3 LYS A2041 -4.190 12.285 6.327 1.00 0.00 H new ATOM 0 HG2 LYS A2041 -3.698 9.938 5.823 1.00 0.00 H new ATOM 0 HG3 LYS A2041 -2.378 10.415 4.775 1.00 0.00 H new ATOM 0 HD2 LYS A2041 -1.414 9.731 6.848 1.00 0.00 H new ATOM 0 HD3 LYS A2041 -1.245 11.473 6.749 1.00 0.00 H new ATOM 0 HE2 LYS A2041 -3.512 10.139 8.288 1.00 0.00 H new ATOM 0 HE3 LYS A2041 -1.960 10.491 9.022 1.00 0.00 H new ATOM 0 HZ1 LYS A2041 -2.851 12.434 9.538 1.00 0.00 H new ATOM 0 HZ2 LYS A2041 -2.674 12.865 7.905 1.00 0.00 H new ATOM 0 HZ3 LYS A2041 -4.152 12.243 8.463 1.00 0.00 H new ATOM 236 N VAL A2042 -4.626 14.385 3.627 1.00 0.00 N ATOM 237 CA VAL A2042 -5.211 15.707 3.600 1.00 0.00 C ATOM 238 C VAL A2042 -6.130 15.886 2.382 1.00 0.00 C ATOM 239 O VAL A2042 -7.324 16.145 2.528 1.00 0.00 O ATOM 240 CB VAL A2042 -4.105 16.799 3.599 1.00 0.00 C ATOM 241 CG1 VAL A2042 -4.707 18.191 3.626 1.00 0.00 C ATOM 242 CG2 VAL A2042 -3.157 16.606 4.777 1.00 0.00 C ATOM 0 H VAL A2042 -3.707 14.324 3.188 1.00 0.00 H new ATOM 0 HA VAL A2042 -5.814 15.818 4.501 1.00 0.00 H new ATOM 0 HB VAL A2042 -3.537 16.696 2.675 1.00 0.00 H new ATOM 0 HG11 VAL A2042 -3.908 18.933 3.625 1.00 0.00 H new ATOM 0 HG12 VAL A2042 -5.335 18.333 2.747 1.00 0.00 H new ATOM 0 HG13 VAL A2042 -5.310 18.309 4.526 1.00 0.00 H new ATOM 0 HG21 VAL A2042 -2.390 17.381 4.758 1.00 0.00 H new ATOM 0 HG22 VAL A2042 -3.717 16.673 5.710 1.00 0.00 H new ATOM 0 HG23 VAL A2042 -2.685 15.626 4.707 1.00 0.00 H new ATOM 252 N ASP A2043 -5.575 15.723 1.204 1.00 0.00 N ATOM 253 CA ASP A2043 -6.302 15.929 -0.057 1.00 0.00 C ATOM 254 C ASP A2043 -7.248 14.788 -0.353 1.00 0.00 C ATOM 255 O ASP A2043 -8.424 14.999 -0.655 1.00 0.00 O ATOM 256 CB ASP A2043 -5.320 16.088 -1.226 1.00 0.00 C ATOM 257 CG ASP A2043 -6.010 16.251 -2.576 1.00 0.00 C ATOM 258 OD1 ASP A2043 -6.324 15.222 -3.241 1.00 0.00 O ATOM 259 OD2 ASP A2043 -6.224 17.391 -3.007 1.00 0.00 O ATOM 0 H ASP A2043 -4.603 15.443 1.077 1.00 0.00 H new ATOM 0 HA ASP A2043 -6.888 16.841 0.058 1.00 0.00 H new ATOM 0 HB2 ASP A2043 -4.686 16.955 -1.043 1.00 0.00 H new ATOM 0 HB3 ASP A2043 -4.666 15.217 -1.263 1.00 0.00 H new ATOM 264 N GLY A2044 -6.744 13.588 -0.241 1.00 0.00 N ATOM 265 CA GLY A2044 -7.522 12.426 -0.587 1.00 0.00 C ATOM 266 C GLY A2044 -7.052 11.818 -1.894 1.00 0.00 C ATOM 267 O GLY A2044 -7.732 10.959 -2.467 1.00 0.00 O ATOM 0 H GLY A2044 -5.799 13.388 0.087 1.00 0.00 H new ATOM 0 HA2 GLY A2044 -7.447 11.685 0.209 1.00 0.00 H new ATOM 0 HA3 GLY A2044 -8.574 12.701 -0.669 1.00 0.00 H new ATOM 271 N THR A2045 -5.902 12.291 -2.374 1.00 0.00 N ATOM 272 CA THR A2045 -5.276 11.806 -3.592 1.00 0.00 C ATOM 273 C THR A2045 -4.996 10.311 -3.463 1.00 0.00 C ATOM 274 O THR A2045 -4.152 9.915 -2.662 1.00 0.00 O ATOM 275 CB THR A2045 -3.920 12.505 -3.778 1.00 0.00 C ATOM 276 OG1 THR A2045 -4.036 13.882 -3.402 1.00 0.00 O ATOM 277 CG2 THR A2045 -3.449 12.405 -5.226 1.00 0.00 C ATOM 0 H THR A2045 -5.375 13.034 -1.916 1.00 0.00 H new ATOM 0 HA THR A2045 -5.941 12.006 -4.432 1.00 0.00 H new ATOM 0 HB THR A2045 -3.185 12.010 -3.143 1.00 0.00 H new ATOM 0 HG1 THR A2045 -4.902 14.231 -3.700 1.00 0.00 H new ATOM 0 HG21 THR A2045 -2.487 12.907 -5.331 1.00 0.00 H new ATOM 0 HG22 THR A2045 -3.343 11.356 -5.502 1.00 0.00 H new ATOM 0 HG23 THR A2045 -4.180 12.880 -5.880 1.00 0.00 H new ATOM 285 N LEU A2046 -5.706 9.502 -4.200 1.00 0.00 N ATOM 286 CA LEU A2046 -5.515 8.079 -4.130 1.00 0.00 C ATOM 287 C LEU A2046 -4.800 7.579 -5.375 1.00 0.00 C ATOM 288 O LEU A2046 -5.272 7.762 -6.507 1.00 0.00 O ATOM 289 CB LEU A2046 -6.850 7.356 -3.920 1.00 0.00 C ATOM 290 CG LEU A2046 -6.802 5.824 -3.936 1.00 0.00 C ATOM 291 CD1 LEU A2046 -5.982 5.273 -2.780 1.00 0.00 C ATOM 292 CD2 LEU A2046 -8.196 5.248 -3.919 1.00 0.00 C ATOM 0 H LEU A2046 -6.424 9.805 -4.858 1.00 0.00 H new ATOM 0 HA LEU A2046 -4.886 7.856 -3.268 1.00 0.00 H new ATOM 0 HB2 LEU A2046 -7.265 7.675 -2.964 1.00 0.00 H new ATOM 0 HB3 LEU A2046 -7.543 7.685 -4.695 1.00 0.00 H new ATOM 0 HG LEU A2046 -6.310 5.522 -4.861 1.00 0.00 H new ATOM 0 HD11 LEU A2046 -5.973 4.184 -2.827 1.00 0.00 H new ATOM 0 HD12 LEU A2046 -4.961 5.648 -2.847 1.00 0.00 H new ATOM 0 HD13 LEU A2046 -6.424 5.592 -1.836 1.00 0.00 H new ATOM 0 HD21 LEU A2046 -8.140 4.159 -3.931 1.00 0.00 H new ATOM 0 HD22 LEU A2046 -8.714 5.575 -3.017 1.00 0.00 H new ATOM 0 HD23 LEU A2046 -8.743 5.593 -4.797 1.00 0.00 H new ATOM 304 N LEU A2047 -3.681 6.964 -5.166 1.00 0.00 N ATOM 305 CA LEU A2047 -2.869 6.440 -6.234 1.00 0.00 C ATOM 306 C LEU A2047 -2.976 4.942 -6.235 1.00 0.00 C ATOM 307 O LEU A2047 -2.592 4.297 -5.270 1.00 0.00 O ATOM 308 CB LEU A2047 -1.406 6.865 -6.059 1.00 0.00 C ATOM 309 CG LEU A2047 -1.134 8.379 -6.003 1.00 0.00 C ATOM 310 CD1 LEU A2047 0.351 8.640 -5.836 1.00 0.00 C ATOM 311 CD2 LEU A2047 -1.659 9.078 -7.253 1.00 0.00 C ATOM 0 H LEU A2047 -3.293 6.805 -4.236 1.00 0.00 H new ATOM 0 HA LEU A2047 -3.224 6.837 -7.185 1.00 0.00 H new ATOM 0 HB2 LEU A2047 -1.028 6.416 -5.141 1.00 0.00 H new ATOM 0 HB3 LEU A2047 -0.828 6.444 -6.882 1.00 0.00 H new ATOM 0 HG LEU A2047 -1.663 8.787 -5.142 1.00 0.00 H new ATOM 0 HD11 LEU A2047 0.530 9.715 -5.798 1.00 0.00 H new ATOM 0 HD12 LEU A2047 0.699 8.181 -4.911 1.00 0.00 H new ATOM 0 HD13 LEU A2047 0.893 8.212 -6.679 1.00 0.00 H new ATOM 0 HD21 LEU A2047 -1.453 10.146 -7.186 1.00 0.00 H new ATOM 0 HD22 LEU A2047 -1.165 8.668 -8.134 1.00 0.00 H new ATOM 0 HD23 LEU A2047 -2.734 8.920 -7.334 1.00 0.00 H new ATOM 323 N VAL A2048 -3.531 4.403 -7.286 1.00 0.00 N ATOM 324 CA VAL A2048 -3.709 2.970 -7.418 1.00 0.00 C ATOM 325 C VAL A2048 -3.063 2.496 -8.700 1.00 0.00 C ATOM 326 O VAL A2048 -2.892 3.293 -9.637 1.00 0.00 O ATOM 327 CB VAL A2048 -5.223 2.552 -7.423 1.00 0.00 C ATOM 328 CG1 VAL A2048 -5.883 2.843 -6.088 1.00 0.00 C ATOM 329 CG2 VAL A2048 -5.997 3.242 -8.547 1.00 0.00 C ATOM 0 H VAL A2048 -3.876 4.941 -8.081 1.00 0.00 H new ATOM 0 HA VAL A2048 -3.238 2.505 -6.552 1.00 0.00 H new ATOM 0 HB VAL A2048 -5.250 1.476 -7.598 1.00 0.00 H new ATOM 0 HG11 VAL A2048 -6.930 2.542 -6.126 1.00 0.00 H new ATOM 0 HG12 VAL A2048 -5.374 2.286 -5.301 1.00 0.00 H new ATOM 0 HG13 VAL A2048 -5.820 3.910 -5.876 1.00 0.00 H new ATOM 0 HG21 VAL A2048 -7.040 2.927 -8.517 1.00 0.00 H new ATOM 0 HG22 VAL A2048 -5.940 4.323 -8.418 1.00 0.00 H new ATOM 0 HG23 VAL A2048 -5.563 2.969 -9.509 1.00 0.00 H new ATOM 339 N GLY A2049 -2.653 1.234 -8.711 1.00 0.00 N ATOM 340 CA GLY A2049 -2.128 0.588 -9.901 1.00 0.00 C ATOM 341 C GLY A2049 -0.961 1.302 -10.540 1.00 0.00 C ATOM 342 O GLY A2049 0.113 1.386 -9.958 1.00 0.00 O ATOM 0 H GLY A2049 -2.677 0.630 -7.890 1.00 0.00 H new ATOM 0 HA2 GLY A2049 -1.820 -0.425 -9.643 1.00 0.00 H new ATOM 0 HA3 GLY A2049 -2.929 0.500 -10.635 1.00 0.00 H new ATOM 346 N GLU A2050 -1.209 1.864 -11.712 1.00 0.00 N ATOM 347 CA GLU A2050 -0.187 2.503 -12.545 1.00 0.00 C ATOM 348 C GLU A2050 0.504 3.640 -11.837 1.00 0.00 C ATOM 349 O GLU A2050 1.724 3.798 -11.917 1.00 0.00 O ATOM 350 CB GLU A2050 -0.804 3.010 -13.844 1.00 0.00 C ATOM 351 CG GLU A2050 -1.584 1.963 -14.616 1.00 0.00 C ATOM 352 CD GLU A2050 -2.185 2.522 -15.874 1.00 0.00 C ATOM 353 OE1 GLU A2050 -3.294 3.105 -15.812 1.00 0.00 O ATOM 354 OE2 GLU A2050 -1.567 2.387 -16.943 1.00 0.00 O ATOM 0 H GLU A2050 -2.142 1.893 -12.124 1.00 0.00 H new ATOM 0 HA GLU A2050 0.564 1.744 -12.763 1.00 0.00 H new ATOM 0 HB2 GLU A2050 -1.467 3.845 -13.616 1.00 0.00 H new ATOM 0 HB3 GLU A2050 -0.010 3.398 -14.482 1.00 0.00 H new ATOM 0 HG2 GLU A2050 -0.925 1.132 -14.867 1.00 0.00 H new ATOM 0 HG3 GLU A2050 -2.376 1.561 -13.983 1.00 0.00 H new ATOM 361 N ASP A2051 -0.262 4.389 -11.117 1.00 0.00 N ATOM 362 CA ASP A2051 0.234 5.566 -10.438 1.00 0.00 C ATOM 363 C ASP A2051 0.669 5.273 -9.026 1.00 0.00 C ATOM 364 O ASP A2051 1.083 6.174 -8.305 1.00 0.00 O ATOM 365 CB ASP A2051 -0.819 6.643 -10.437 1.00 0.00 C ATOM 366 CG ASP A2051 -0.915 7.422 -11.730 1.00 0.00 C ATOM 367 OD1 ASP A2051 -0.193 8.433 -11.891 1.00 0.00 O ATOM 368 OD2 ASP A2051 -1.746 7.051 -12.610 1.00 0.00 O ATOM 0 H ASP A2051 -1.256 4.212 -10.975 1.00 0.00 H new ATOM 0 HA ASP A2051 1.113 5.908 -10.985 1.00 0.00 H new ATOM 0 HB2 ASP A2051 -1.787 6.188 -10.228 1.00 0.00 H new ATOM 0 HB3 ASP A2051 -0.611 7.337 -9.623 1.00 0.00 H new ATOM 373 N ALA A2052 0.579 4.036 -8.621 1.00 0.00 N ATOM 374 CA ALA A2052 1.017 3.664 -7.311 1.00 0.00 C ATOM 375 C ALA A2052 2.361 2.980 -7.449 1.00 0.00 C ATOM 376 O ALA A2052 2.484 2.031 -8.217 1.00 0.00 O ATOM 377 CB ALA A2052 -0.002 2.752 -6.650 1.00 0.00 C ATOM 0 H ALA A2052 0.206 3.271 -9.182 1.00 0.00 H new ATOM 0 HA ALA A2052 1.117 4.544 -6.676 1.00 0.00 H new ATOM 0 HB1 ALA A2052 0.347 2.478 -5.654 1.00 0.00 H new ATOM 0 HB2 ALA A2052 -0.957 3.271 -6.570 1.00 0.00 H new ATOM 0 HB3 ALA A2052 -0.128 1.851 -7.251 1.00 0.00 H new ATOM 383 N PRO A2053 3.401 3.477 -6.788 1.00 0.00 N ATOM 384 CA PRO A2053 4.721 2.882 -6.888 1.00 0.00 C ATOM 385 C PRO A2053 4.819 1.563 -6.128 1.00 0.00 C ATOM 386 O PRO A2053 4.061 1.307 -5.176 1.00 0.00 O ATOM 387 CB PRO A2053 5.667 3.919 -6.253 1.00 0.00 C ATOM 388 CG PRO A2053 4.825 5.105 -5.919 1.00 0.00 C ATOM 389 CD PRO A2053 3.393 4.643 -5.899 1.00 0.00 C ATOM 0 HA PRO A2053 4.966 2.651 -7.925 1.00 0.00 H new ATOM 0 HB2 PRO A2053 6.142 3.515 -5.359 1.00 0.00 H new ATOM 0 HB3 PRO A2053 6.465 4.191 -6.943 1.00 0.00 H new ATOM 0 HG2 PRO A2053 5.109 5.518 -4.951 1.00 0.00 H new ATOM 0 HG3 PRO A2053 4.964 5.895 -6.657 1.00 0.00 H new ATOM 0 HD2 PRO A2053 3.070 4.379 -4.892 1.00 0.00 H new ATOM 0 HD3 PRO A2053 2.716 5.418 -6.258 1.00 0.00 H new ATOM 397 N ARG A2054 5.739 0.724 -6.558 1.00 0.00 N ATOM 398 CA ARG A2054 6.023 -0.510 -5.876 1.00 0.00 C ATOM 399 C ARG A2054 6.584 -0.161 -4.529 1.00 0.00 C ATOM 400 O ARG A2054 7.255 0.848 -4.409 1.00 0.00 O ATOM 401 CB ARG A2054 7.012 -1.350 -6.680 1.00 0.00 C ATOM 402 CG ARG A2054 8.400 -0.779 -6.838 1.00 0.00 C ATOM 403 CD ARG A2054 9.113 -1.386 -8.031 1.00 0.00 C ATOM 404 NE ARG A2054 8.889 -2.836 -8.186 1.00 0.00 N ATOM 405 CZ ARG A2054 9.818 -3.712 -8.602 1.00 0.00 C ATOM 406 NH1 ARG A2054 11.098 -3.350 -8.664 1.00 0.00 N ATOM 407 NH2 ARG A2054 9.459 -4.956 -8.944 1.00 0.00 N ATOM 0 H ARG A2054 6.307 0.883 -7.390 1.00 0.00 H new ATOM 0 HA ARG A2054 5.116 -1.104 -5.763 1.00 0.00 H new ATOM 0 HB2 ARG A2054 7.096 -2.327 -6.205 1.00 0.00 H new ATOM 0 HB3 ARG A2054 6.594 -1.513 -7.673 1.00 0.00 H new ATOM 0 HG2 ARG A2054 8.339 0.302 -6.960 1.00 0.00 H new ATOM 0 HG3 ARG A2054 8.978 -0.966 -5.933 1.00 0.00 H new ATOM 0 HD2 ARG A2054 8.782 -0.878 -8.937 1.00 0.00 H new ATOM 0 HD3 ARG A2054 10.183 -1.202 -7.935 1.00 0.00 H new ATOM 0 HE ARG A2054 7.963 -3.199 -7.961 1.00 0.00 H new ATOM 0 HH11 ARG A2054 11.375 -2.406 -8.395 1.00 0.00 H new ATOM 0 HH12 ARG A2054 11.802 -4.017 -8.980 1.00 0.00 H new ATOM 0 HH21 ARG A2054 8.480 -5.238 -8.888 1.00 0.00 H new ATOM 0 HH22 ARG A2054 10.164 -5.622 -9.260 1.00 0.00 H new ATOM 421 N ARG A2055 6.310 -0.967 -3.534 1.00 0.00 N ATOM 422 CA ARG A2055 6.720 -0.702 -2.161 1.00 0.00 C ATOM 423 C ARG A2055 8.224 -0.324 -2.025 1.00 0.00 C ATOM 424 O ARG A2055 8.579 0.553 -1.225 1.00 0.00 O ATOM 425 CB ARG A2055 6.318 -1.868 -1.244 1.00 0.00 C ATOM 426 CG ARG A2055 6.807 -1.740 0.187 1.00 0.00 C ATOM 427 CD ARG A2055 6.312 -0.471 0.883 1.00 0.00 C ATOM 428 NE ARG A2055 7.124 -0.185 2.064 1.00 0.00 N ATOM 429 CZ ARG A2055 7.050 0.910 2.830 1.00 0.00 C ATOM 430 NH1 ARG A2055 6.028 1.746 2.724 1.00 0.00 N ATOM 431 NH2 ARG A2055 7.971 1.124 3.752 1.00 0.00 N ATOM 0 H ARG A2055 5.791 -1.838 -3.647 1.00 0.00 H new ATOM 0 HA ARG A2055 6.181 0.187 -1.832 1.00 0.00 H new ATOM 0 HB2 ARG A2055 5.231 -1.950 -1.237 1.00 0.00 H new ATOM 0 HB3 ARG A2055 6.705 -2.796 -1.666 1.00 0.00 H new ATOM 0 HG2 ARG A2055 6.478 -2.610 0.755 1.00 0.00 H new ATOM 0 HG3 ARG A2055 7.897 -1.748 0.194 1.00 0.00 H new ATOM 0 HD2 ARG A2055 6.356 0.371 0.192 1.00 0.00 H new ATOM 0 HD3 ARG A2055 5.268 -0.592 1.173 1.00 0.00 H new ATOM 0 HE ARG A2055 7.814 -0.888 2.330 1.00 0.00 H new ATOM 0 HH11 ARG A2055 5.284 1.559 2.052 1.00 0.00 H new ATOM 0 HH12 ARG A2055 5.985 2.577 3.315 1.00 0.00 H new ATOM 0 HH21 ARG A2055 8.732 0.457 3.877 1.00 0.00 H new ATOM 0 HH22 ARG A2055 7.921 1.956 4.339 1.00 0.00 H new ATOM 445 N ALA A2056 9.071 -0.940 -2.834 1.00 0.00 N ATOM 446 CA ALA A2056 10.496 -0.620 -2.854 1.00 0.00 C ATOM 447 C ALA A2056 10.731 0.851 -3.241 1.00 0.00 C ATOM 448 O ALA A2056 11.564 1.535 -2.649 1.00 0.00 O ATOM 449 CB ALA A2056 11.230 -1.536 -3.817 1.00 0.00 C ATOM 0 H ALA A2056 8.797 -1.670 -3.491 1.00 0.00 H new ATOM 0 HA ALA A2056 10.887 -0.774 -1.848 1.00 0.00 H new ATOM 0 HB1 ALA A2056 12.291 -1.285 -3.821 1.00 0.00 H new ATOM 0 HB2 ALA A2056 11.103 -2.572 -3.502 1.00 0.00 H new ATOM 0 HB3 ALA A2056 10.824 -1.410 -4.821 1.00 0.00 H new ATOM 455 N GLU A2057 9.965 1.351 -4.206 1.00 0.00 N ATOM 456 CA GLU A2057 10.108 2.755 -4.619 1.00 0.00 C ATOM 457 C GLU A2057 9.254 3.662 -3.730 1.00 0.00 C ATOM 458 O GLU A2057 9.630 4.796 -3.415 1.00 0.00 O ATOM 459 CB GLU A2057 9.714 2.943 -6.088 1.00 0.00 C ATOM 460 CG GLU A2057 10.579 2.170 -7.064 1.00 0.00 C ATOM 461 CD GLU A2057 10.224 2.451 -8.500 1.00 0.00 C ATOM 462 OE1 GLU A2057 10.738 3.427 -9.070 1.00 0.00 O ATOM 463 OE2 GLU A2057 9.443 1.698 -9.100 1.00 0.00 O ATOM 0 H GLU A2057 9.252 0.824 -4.711 1.00 0.00 H new ATOM 0 HA GLU A2057 11.157 3.030 -4.508 1.00 0.00 H new ATOM 0 HB2 GLU A2057 8.676 2.636 -6.217 1.00 0.00 H new ATOM 0 HB3 GLU A2057 9.766 4.004 -6.334 1.00 0.00 H new ATOM 0 HG2 GLU A2057 11.626 2.424 -6.896 1.00 0.00 H new ATOM 0 HG3 GLU A2057 10.475 1.103 -6.870 1.00 0.00 H new ATOM 470 N LEU A2058 8.132 3.120 -3.309 1.00 0.00 N ATOM 471 CA LEU A2058 7.130 3.803 -2.501 1.00 0.00 C ATOM 472 C LEU A2058 7.709 4.257 -1.145 1.00 0.00 C ATOM 473 O LEU A2058 7.329 5.303 -0.636 1.00 0.00 O ATOM 474 CB LEU A2058 5.892 2.861 -2.364 1.00 0.00 C ATOM 475 CG LEU A2058 4.603 3.365 -1.689 1.00 0.00 C ATOM 476 CD1 LEU A2058 4.691 3.282 -0.185 1.00 0.00 C ATOM 477 CD2 LEU A2058 4.274 4.780 -2.128 1.00 0.00 C ATOM 0 H LEU A2058 7.878 2.156 -3.525 1.00 0.00 H new ATOM 0 HA LEU A2058 6.810 4.724 -2.989 1.00 0.00 H new ATOM 0 HB2 LEU A2058 5.623 2.533 -3.368 1.00 0.00 H new ATOM 0 HB3 LEU A2058 6.218 1.977 -1.817 1.00 0.00 H new ATOM 0 HG LEU A2058 3.794 2.709 -2.010 1.00 0.00 H new ATOM 0 HD11 LEU A2058 3.763 3.647 0.254 1.00 0.00 H new ATOM 0 HD12 LEU A2058 4.852 2.246 0.113 1.00 0.00 H new ATOM 0 HD13 LEU A2058 5.523 3.893 0.165 1.00 0.00 H new ATOM 0 HD21 LEU A2058 3.359 5.110 -1.636 1.00 0.00 H new ATOM 0 HD22 LEU A2058 5.093 5.445 -1.855 1.00 0.00 H new ATOM 0 HD23 LEU A2058 4.133 4.802 -3.209 1.00 0.00 H new ATOM 489 N GLU A2059 8.642 3.488 -0.599 1.00 0.00 N ATOM 490 CA GLU A2059 9.306 3.835 0.670 1.00 0.00 C ATOM 491 C GLU A2059 10.006 5.197 0.553 1.00 0.00 C ATOM 492 O GLU A2059 9.748 6.123 1.326 1.00 0.00 O ATOM 493 CB GLU A2059 10.329 2.756 1.024 1.00 0.00 C ATOM 494 CG GLU A2059 11.048 2.973 2.347 1.00 0.00 C ATOM 495 CD GLU A2059 12.036 1.876 2.655 1.00 0.00 C ATOM 496 OE1 GLU A2059 11.619 0.712 2.788 1.00 0.00 O ATOM 497 OE2 GLU A2059 13.244 2.149 2.781 1.00 0.00 O ATOM 0 H GLU A2059 8.964 2.612 -1.011 1.00 0.00 H new ATOM 0 HA GLU A2059 8.554 3.896 1.457 1.00 0.00 H new ATOM 0 HB2 GLU A2059 9.823 1.791 1.055 1.00 0.00 H new ATOM 0 HB3 GLU A2059 11.071 2.702 0.227 1.00 0.00 H new ATOM 0 HG2 GLU A2059 11.569 3.930 2.321 1.00 0.00 H new ATOM 0 HG3 GLU A2059 10.314 3.032 3.150 1.00 0.00 H new ATOM 504 N MET A2060 10.846 5.308 -0.455 1.00 0.00 N ATOM 505 CA MET A2060 11.607 6.530 -0.714 1.00 0.00 C ATOM 506 C MET A2060 10.686 7.672 -1.121 1.00 0.00 C ATOM 507 O MET A2060 10.984 8.839 -0.892 1.00 0.00 O ATOM 508 CB MET A2060 12.678 6.291 -1.785 1.00 0.00 C ATOM 509 CG MET A2060 13.732 5.261 -1.389 1.00 0.00 C ATOM 510 SD MET A2060 14.656 5.715 0.103 1.00 0.00 S ATOM 511 CE MET A2060 15.467 7.226 -0.431 1.00 0.00 C ATOM 0 H MET A2060 11.026 4.558 -1.123 1.00 0.00 H new ATOM 0 HA MET A2060 12.108 6.813 0.212 1.00 0.00 H new ATOM 0 HB2 MET A2060 12.192 5.963 -2.704 1.00 0.00 H new ATOM 0 HB3 MET A2060 13.174 7.236 -2.006 1.00 0.00 H new ATOM 0 HG2 MET A2060 13.246 4.298 -1.228 1.00 0.00 H new ATOM 0 HG3 MET A2060 14.431 5.131 -2.215 1.00 0.00 H new ATOM 0 HE1 MET A2060 16.266 7.477 0.267 1.00 0.00 H new ATOM 0 HE2 MET A2060 15.887 7.081 -1.426 1.00 0.00 H new ATOM 0 HE3 MET A2060 14.741 8.038 -0.459 1.00 0.00 H new ATOM 521 N TRP A2061 9.568 7.323 -1.706 1.00 0.00 N ATOM 522 CA TRP A2061 8.581 8.289 -2.132 1.00 0.00 C ATOM 523 C TRP A2061 7.872 8.889 -0.890 1.00 0.00 C ATOM 524 O TRP A2061 7.774 10.112 -0.743 1.00 0.00 O ATOM 525 CB TRP A2061 7.591 7.604 -3.073 1.00 0.00 C ATOM 526 CG TRP A2061 6.631 8.526 -3.734 1.00 0.00 C ATOM 527 CD1 TRP A2061 6.857 9.268 -4.853 1.00 0.00 C ATOM 528 CD2 TRP A2061 5.288 8.792 -3.336 1.00 0.00 C ATOM 529 NE1 TRP A2061 5.740 9.986 -5.170 1.00 0.00 N ATOM 530 CE2 TRP A2061 4.763 9.714 -4.257 1.00 0.00 C ATOM 531 CE3 TRP A2061 4.479 8.347 -2.287 1.00 0.00 C ATOM 532 CZ2 TRP A2061 3.467 10.192 -4.166 1.00 0.00 C ATOM 533 CZ3 TRP A2061 3.197 8.827 -2.204 1.00 0.00 C ATOM 534 CH2 TRP A2061 2.704 9.740 -3.137 1.00 0.00 C ATOM 0 H TRP A2061 9.313 6.355 -1.902 1.00 0.00 H new ATOM 0 HA TRP A2061 9.055 9.109 -2.671 1.00 0.00 H new ATOM 0 HB2 TRP A2061 8.150 7.069 -3.841 1.00 0.00 H new ATOM 0 HB3 TRP A2061 7.030 6.858 -2.510 1.00 0.00 H new ATOM 0 HD1 TRP A2061 7.783 9.286 -5.408 1.00 0.00 H new ATOM 0 HE1 TRP A2061 5.650 10.623 -5.962 1.00 0.00 H new ATOM 0 HE3 TRP A2061 4.854 7.642 -1.560 1.00 0.00 H new ATOM 0 HZ2 TRP A2061 3.078 10.897 -4.885 1.00 0.00 H new ATOM 0 HZ3 TRP A2061 2.557 8.492 -1.401 1.00 0.00 H new ATOM 0 HH2 TRP A2061 1.689 10.097 -3.038 1.00 0.00 H new ATOM 545 N LEU A2062 7.429 8.013 0.019 1.00 0.00 N ATOM 546 CA LEU A2062 6.805 8.426 1.287 1.00 0.00 C ATOM 547 C LEU A2062 7.749 9.252 2.120 1.00 0.00 C ATOM 548 O LEU A2062 7.325 10.074 2.921 1.00 0.00 O ATOM 549 CB LEU A2062 6.278 7.252 2.110 1.00 0.00 C ATOM 550 CG LEU A2062 5.053 6.526 1.562 1.00 0.00 C ATOM 551 CD1 LEU A2062 4.628 5.440 2.523 1.00 0.00 C ATOM 552 CD2 LEU A2062 3.902 7.491 1.329 1.00 0.00 C ATOM 0 H LEU A2062 7.491 7.002 -0.100 1.00 0.00 H new ATOM 0 HA LEU A2062 5.946 9.035 1.006 1.00 0.00 H new ATOM 0 HB2 LEU A2062 7.083 6.525 2.220 1.00 0.00 H new ATOM 0 HB3 LEU A2062 6.039 7.617 3.109 1.00 0.00 H new ATOM 0 HG LEU A2062 5.321 6.080 0.604 1.00 0.00 H new ATOM 0 HD11 LEU A2062 3.753 4.925 2.126 1.00 0.00 H new ATOM 0 HD12 LEU A2062 5.442 4.727 2.649 1.00 0.00 H new ATOM 0 HD13 LEU A2062 4.382 5.884 3.488 1.00 0.00 H new ATOM 0 HD21 LEU A2062 3.043 6.945 0.938 1.00 0.00 H new ATOM 0 HD22 LEU A2062 3.631 7.968 2.271 1.00 0.00 H new ATOM 0 HD23 LEU A2062 4.205 8.252 0.610 1.00 0.00 H new ATOM 564 N GLN A2063 9.020 8.964 1.999 1.00 0.00 N ATOM 565 CA GLN A2063 10.051 9.708 2.670 1.00 0.00 C ATOM 566 C GLN A2063 9.960 11.209 2.321 1.00 0.00 C ATOM 567 O GLN A2063 10.184 12.069 3.172 1.00 0.00 O ATOM 568 CB GLN A2063 11.397 9.155 2.261 1.00 0.00 C ATOM 569 CG GLN A2063 12.550 9.758 2.995 1.00 0.00 C ATOM 570 CD GLN A2063 13.868 9.276 2.464 1.00 0.00 C ATOM 571 OE1 GLN A2063 14.397 8.269 2.906 1.00 0.00 O ATOM 572 NE2 GLN A2063 14.417 10.001 1.535 1.00 0.00 N ATOM 0 H GLN A2063 9.370 8.197 1.425 1.00 0.00 H new ATOM 0 HA GLN A2063 9.923 9.608 3.748 1.00 0.00 H new ATOM 0 HB2 GLN A2063 11.400 8.077 2.423 1.00 0.00 H new ATOM 0 HB3 GLN A2063 11.535 9.317 1.192 1.00 0.00 H new ATOM 0 HG2 GLN A2063 12.502 10.844 2.916 1.00 0.00 H new ATOM 0 HG3 GLN A2063 12.474 9.512 4.054 1.00 0.00 H new ATOM 0 HE21 GLN A2063 13.942 10.836 1.192 1.00 0.00 H new ATOM 0 HE22 GLN A2063 15.323 9.735 1.149 1.00 0.00 H new ATOM 581 N GLY A2064 9.600 11.502 1.086 1.00 0.00 N ATOM 582 CA GLY A2064 9.475 12.876 0.656 1.00 0.00 C ATOM 583 C GLY A2064 8.110 13.453 0.991 1.00 0.00 C ATOM 584 O GLY A2064 7.959 14.667 1.143 1.00 0.00 O ATOM 0 H GLY A2064 9.390 10.809 0.368 1.00 0.00 H new ATOM 0 HA2 GLY A2064 10.250 13.477 1.132 1.00 0.00 H new ATOM 0 HA3 GLY A2064 9.640 12.936 -0.420 1.00 0.00 H new ATOM 588 N HIS A2065 7.125 12.586 1.129 1.00 0.00 N ATOM 589 CA HIS A2065 5.752 12.993 1.414 1.00 0.00 C ATOM 590 C HIS A2065 5.074 12.021 2.364 1.00 0.00 C ATOM 591 O HIS A2065 4.409 11.082 1.938 1.00 0.00 O ATOM 592 CB HIS A2065 4.889 13.172 0.143 1.00 0.00 C ATOM 593 CG HIS A2065 5.192 14.400 -0.663 1.00 0.00 C ATOM 594 ND1 HIS A2065 4.555 15.614 -0.484 1.00 0.00 N ATOM 595 CD2 HIS A2065 6.074 14.589 -1.671 1.00 0.00 C ATOM 596 CE1 HIS A2065 5.050 16.474 -1.359 1.00 0.00 C ATOM 597 NE2 HIS A2065 5.986 15.906 -2.113 1.00 0.00 N ATOM 0 H HIS A2065 7.249 11.577 1.047 1.00 0.00 H new ATOM 0 HA HIS A2065 5.830 13.970 1.890 1.00 0.00 H new ATOM 0 HB2 HIS A2065 5.021 12.297 -0.493 1.00 0.00 H new ATOM 0 HB3 HIS A2065 3.839 13.198 0.436 1.00 0.00 H new ATOM 0 HD1 HIS A2065 3.829 15.812 0.204 1.00 0.00 H new ATOM 0 HD2 HIS A2065 6.740 13.838 -2.069 1.00 0.00 H new ATOM 0 HE1 HIS A2065 4.735 17.503 -1.449 1.00 0.00 H new ATOM 605 N PRO A2066 5.243 12.224 3.678 1.00 0.00 N ATOM 606 CA PRO A2066 4.638 11.359 4.711 1.00 0.00 C ATOM 607 C PRO A2066 3.153 11.684 4.946 1.00 0.00 C ATOM 608 O PRO A2066 2.531 11.221 5.908 1.00 0.00 O ATOM 609 CB PRO A2066 5.460 11.701 5.953 1.00 0.00 C ATOM 610 CG PRO A2066 5.861 13.120 5.751 1.00 0.00 C ATOM 611 CD PRO A2066 6.074 13.290 4.272 1.00 0.00 C ATOM 0 HA PRO A2066 4.656 10.304 4.436 1.00 0.00 H new ATOM 0 HB2 PRO A2066 4.874 11.579 6.864 1.00 0.00 H new ATOM 0 HB3 PRO A2066 6.330 11.051 6.045 1.00 0.00 H new ATOM 0 HG2 PRO A2066 5.088 13.798 6.113 1.00 0.00 H new ATOM 0 HG3 PRO A2066 6.772 13.350 6.304 1.00 0.00 H new ATOM 0 HD2 PRO A2066 5.762 14.278 3.933 1.00 0.00 H new ATOM 0 HD3 PRO A2066 7.124 13.177 4.002 1.00 0.00 H new ATOM 619 N GLU A2067 2.609 12.475 4.052 1.00 0.00 N ATOM 620 CA GLU A2067 1.226 12.910 4.088 1.00 0.00 C ATOM 621 C GLU A2067 0.319 11.885 3.406 1.00 0.00 C ATOM 622 O GLU A2067 -0.900 12.053 3.334 1.00 0.00 O ATOM 623 CB GLU A2067 1.111 14.270 3.404 1.00 0.00 C ATOM 624 CG GLU A2067 1.650 14.296 1.983 1.00 0.00 C ATOM 625 CD GLU A2067 1.538 15.647 1.344 1.00 0.00 C ATOM 626 OE1 GLU A2067 0.416 16.057 0.988 1.00 0.00 O ATOM 627 OE2 GLU A2067 2.571 16.332 1.201 1.00 0.00 O ATOM 0 H GLU A2067 3.128 12.846 3.256 1.00 0.00 H new ATOM 0 HA GLU A2067 0.904 13.000 5.125 1.00 0.00 H new ATOM 0 HB2 GLU A2067 0.063 14.570 3.390 1.00 0.00 H new ATOM 0 HB3 GLU A2067 1.647 15.010 3.998 1.00 0.00 H new ATOM 0 HG2 GLU A2067 2.696 13.988 1.990 1.00 0.00 H new ATOM 0 HG3 GLU A2067 1.107 13.568 1.380 1.00 0.00 H new ATOM 634 N PHE A2068 0.918 10.842 2.902 1.00 0.00 N ATOM 635 CA PHE A2068 0.189 9.783 2.265 1.00 0.00 C ATOM 636 C PHE A2068 0.118 8.580 3.177 1.00 0.00 C ATOM 637 O PHE A2068 1.106 8.214 3.824 1.00 0.00 O ATOM 638 CB PHE A2068 0.808 9.401 0.919 1.00 0.00 C ATOM 639 CG PHE A2068 0.641 10.427 -0.174 1.00 0.00 C ATOM 640 CD1 PHE A2068 1.439 11.557 -0.228 1.00 0.00 C ATOM 641 CD2 PHE A2068 -0.306 10.235 -1.169 1.00 0.00 C ATOM 642 CE1 PHE A2068 1.291 12.480 -1.249 1.00 0.00 C ATOM 643 CE2 PHE A2068 -0.462 11.157 -2.187 1.00 0.00 C ATOM 644 CZ PHE A2068 0.339 12.279 -2.229 1.00 0.00 C ATOM 0 H PHE A2068 1.928 10.703 2.922 1.00 0.00 H new ATOM 0 HA PHE A2068 -0.821 10.142 2.069 1.00 0.00 H new ATOM 0 HB2 PHE A2068 1.873 9.218 1.065 1.00 0.00 H new ATOM 0 HB3 PHE A2068 0.365 8.462 0.586 1.00 0.00 H new ATOM 0 HD1 PHE A2068 2.186 11.720 0.535 1.00 0.00 H new ATOM 0 HD2 PHE A2068 -0.930 9.354 -1.148 1.00 0.00 H new ATOM 0 HE1 PHE A2068 1.920 13.357 -1.279 1.00 0.00 H new ATOM 0 HE2 PHE A2068 -1.211 10.999 -2.949 1.00 0.00 H new ATOM 0 HZ PHE A2068 0.222 12.998 -3.026 1.00 0.00 H new ATOM 654 N ALA A2069 -1.040 8.006 3.245 1.00 0.00 N ATOM 655 CA ALA A2069 -1.297 6.841 4.037 1.00 0.00 C ATOM 656 C ALA A2069 -1.586 5.689 3.098 1.00 0.00 C ATOM 657 O ALA A2069 -1.714 5.895 1.890 1.00 0.00 O ATOM 658 CB ALA A2069 -2.491 7.094 4.937 1.00 0.00 C ATOM 0 H ALA A2069 -1.858 8.343 2.737 1.00 0.00 H new ATOM 0 HA ALA A2069 -0.436 6.604 4.662 1.00 0.00 H new ATOM 0 HB1 ALA A2069 -2.687 6.207 5.540 1.00 0.00 H new ATOM 0 HB2 ALA A2069 -2.280 7.939 5.592 1.00 0.00 H new ATOM 0 HB3 ALA A2069 -3.366 7.318 4.327 1.00 0.00 H new ATOM 664 N VAL A2070 -1.704 4.506 3.629 1.00 0.00 N ATOM 665 CA VAL A2070 -1.979 3.339 2.815 1.00 0.00 C ATOM 666 C VAL A2070 -3.494 3.189 2.628 1.00 0.00 C ATOM 667 O VAL A2070 -4.266 3.477 3.551 1.00 0.00 O ATOM 668 CB VAL A2070 -1.345 2.045 3.438 1.00 0.00 C ATOM 669 CG1 VAL A2070 -1.825 1.811 4.863 1.00 0.00 C ATOM 670 CG2 VAL A2070 -1.605 0.813 2.570 1.00 0.00 C ATOM 0 H VAL A2070 -1.615 4.315 4.627 1.00 0.00 H new ATOM 0 HA VAL A2070 -1.518 3.476 1.837 1.00 0.00 H new ATOM 0 HB VAL A2070 -0.268 2.209 3.472 1.00 0.00 H new ATOM 0 HG11 VAL A2070 -1.363 0.906 5.258 1.00 0.00 H new ATOM 0 HG12 VAL A2070 -1.547 2.662 5.485 1.00 0.00 H new ATOM 0 HG13 VAL A2070 -2.909 1.697 4.868 1.00 0.00 H new ATOM 0 HG21 VAL A2070 -1.151 -0.062 3.035 1.00 0.00 H new ATOM 0 HG22 VAL A2070 -2.679 0.656 2.474 1.00 0.00 H new ATOM 0 HG23 VAL A2070 -1.171 0.966 1.582 1.00 0.00 H new ATOM 680 N ASP A2071 -3.906 2.801 1.431 1.00 0.00 N ATOM 681 CA ASP A2071 -5.321 2.618 1.117 1.00 0.00 C ATOM 682 C ASP A2071 -5.965 1.546 2.012 1.00 0.00 C ATOM 683 O ASP A2071 -5.489 0.397 2.066 1.00 0.00 O ATOM 684 CB ASP A2071 -5.511 2.251 -0.353 1.00 0.00 C ATOM 685 CG ASP A2071 -6.955 1.979 -0.696 1.00 0.00 C ATOM 686 OD1 ASP A2071 -7.723 2.932 -0.932 1.00 0.00 O ATOM 687 OD2 ASP A2071 -7.349 0.807 -0.739 1.00 0.00 O ATOM 0 H ASP A2071 -3.277 2.604 0.653 1.00 0.00 H new ATOM 0 HA ASP A2071 -5.819 3.568 1.311 1.00 0.00 H new ATOM 0 HB2 ASP A2071 -5.139 3.062 -0.978 1.00 0.00 H new ATOM 0 HB3 ASP A2071 -4.913 1.370 -0.585 1.00 0.00 H new ATOM 692 N PRO A2072 -7.041 1.909 2.745 1.00 0.00 N ATOM 693 CA PRO A2072 -7.738 0.993 3.655 1.00 0.00 C ATOM 694 C PRO A2072 -8.396 -0.194 2.948 1.00 0.00 C ATOM 695 O PRO A2072 -8.589 -1.244 3.550 1.00 0.00 O ATOM 696 CB PRO A2072 -8.805 1.866 4.319 1.00 0.00 C ATOM 697 CG PRO A2072 -8.354 3.263 4.101 1.00 0.00 C ATOM 698 CD PRO A2072 -7.640 3.258 2.785 1.00 0.00 C ATOM 0 HA PRO A2072 -7.035 0.541 4.354 1.00 0.00 H new ATOM 0 HB2 PRO A2072 -9.786 1.695 3.876 1.00 0.00 H new ATOM 0 HB3 PRO A2072 -8.892 1.641 5.382 1.00 0.00 H new ATOM 0 HG2 PRO A2072 -9.200 3.950 4.084 1.00 0.00 H new ATOM 0 HG3 PRO A2072 -7.693 3.591 4.904 1.00 0.00 H new ATOM 0 HD2 PRO A2072 -8.324 3.422 1.953 1.00 0.00 H new ATOM 0 HD3 PRO A2072 -6.882 4.039 2.733 1.00 0.00 H new ATOM 706 N ARG A2073 -8.709 -0.054 1.676 1.00 0.00 N ATOM 707 CA ARG A2073 -9.347 -1.137 0.963 1.00 0.00 C ATOM 708 C ARG A2073 -8.297 -2.172 0.582 1.00 0.00 C ATOM 709 O ARG A2073 -8.574 -3.376 0.553 1.00 0.00 O ATOM 710 CB ARG A2073 -10.130 -0.621 -0.251 1.00 0.00 C ATOM 711 CG ARG A2073 -10.941 -1.680 -1.000 1.00 0.00 C ATOM 712 CD ARG A2073 -11.917 -2.411 -0.076 1.00 0.00 C ATOM 713 NE ARG A2073 -12.821 -1.492 0.645 1.00 0.00 N ATOM 714 CZ ARG A2073 -13.695 -1.865 1.598 1.00 0.00 C ATOM 715 NH1 ARG A2073 -13.857 -3.151 1.897 1.00 0.00 N ATOM 716 NH2 ARG A2073 -14.416 -0.946 2.229 1.00 0.00 N ATOM 0 H ARG A2073 -8.535 0.786 1.123 1.00 0.00 H new ATOM 0 HA ARG A2073 -10.080 -1.617 1.611 1.00 0.00 H new ATOM 0 HB2 ARG A2073 -10.808 0.165 0.081 1.00 0.00 H new ATOM 0 HB3 ARG A2073 -9.428 -0.163 -0.948 1.00 0.00 H new ATOM 0 HG2 ARG A2073 -11.494 -1.207 -1.811 1.00 0.00 H new ATOM 0 HG3 ARG A2073 -10.263 -2.402 -1.455 1.00 0.00 H new ATOM 0 HD2 ARG A2073 -12.511 -3.111 -0.664 1.00 0.00 H new ATOM 0 HD3 ARG A2073 -11.353 -3.000 0.647 1.00 0.00 H new ATOM 0 HE ARG A2073 -12.780 -0.502 0.403 1.00 0.00 H new ATOM 0 HH11 ARG A2073 -13.317 -3.861 1.403 1.00 0.00 H new ATOM 0 HH12 ARG A2073 -14.521 -3.427 2.620 1.00 0.00 H new ATOM 0 HH21 ARG A2073 -14.307 0.040 1.991 1.00 0.00 H new ATOM 0 HH22 ARG A2073 -15.079 -1.226 2.952 1.00 0.00 H new ATOM 730 N PHE A2074 -7.089 -1.700 0.317 1.00 0.00 N ATOM 731 CA PHE A2074 -5.954 -2.578 0.095 1.00 0.00 C ATOM 732 C PHE A2074 -5.654 -3.331 1.385 1.00 0.00 C ATOM 733 O PHE A2074 -5.284 -4.502 1.363 1.00 0.00 O ATOM 734 CB PHE A2074 -4.718 -1.791 -0.361 1.00 0.00 C ATOM 735 CG PHE A2074 -3.520 -2.659 -0.646 1.00 0.00 C ATOM 736 CD1 PHE A2074 -3.454 -3.406 -1.812 1.00 0.00 C ATOM 737 CD2 PHE A2074 -2.462 -2.727 0.250 1.00 0.00 C ATOM 738 CE1 PHE A2074 -2.359 -4.203 -2.080 1.00 0.00 C ATOM 739 CE2 PHE A2074 -1.367 -3.523 -0.014 1.00 0.00 C ATOM 740 CZ PHE A2074 -1.316 -4.262 -1.181 1.00 0.00 C ATOM 0 H PHE A2074 -6.870 -0.706 0.250 1.00 0.00 H new ATOM 0 HA PHE A2074 -6.203 -3.282 -0.699 1.00 0.00 H new ATOM 0 HB2 PHE A2074 -4.968 -1.226 -1.259 1.00 0.00 H new ATOM 0 HB3 PHE A2074 -4.455 -1.066 0.409 1.00 0.00 H new ATOM 0 HD1 PHE A2074 -4.269 -3.364 -2.519 1.00 0.00 H new ATOM 0 HD2 PHE A2074 -2.497 -2.151 1.163 1.00 0.00 H new ATOM 0 HE1 PHE A2074 -2.320 -4.779 -2.993 1.00 0.00 H new ATOM 0 HE2 PHE A2074 -0.550 -3.569 0.691 1.00 0.00 H new ATOM 0 HZ PHE A2074 -0.459 -4.886 -1.388 1.00 0.00 H new ATOM 750 N LEU A2075 -5.835 -2.647 2.507 1.00 0.00 N ATOM 751 CA LEU A2075 -5.670 -3.272 3.808 1.00 0.00 C ATOM 752 C LEU A2075 -6.727 -4.348 4.005 1.00 0.00 C ATOM 753 O LEU A2075 -6.420 -5.445 4.456 1.00 0.00 O ATOM 754 CB LEU A2075 -5.737 -2.241 4.942 1.00 0.00 C ATOM 755 CG LEU A2075 -4.644 -1.170 4.959 1.00 0.00 C ATOM 756 CD1 LEU A2075 -4.853 -0.224 6.133 1.00 0.00 C ATOM 757 CD2 LEU A2075 -3.261 -1.810 5.035 1.00 0.00 C ATOM 0 H LEU A2075 -6.096 -1.661 2.540 1.00 0.00 H new ATOM 0 HA LEU A2075 -4.681 -3.730 3.839 1.00 0.00 H new ATOM 0 HB2 LEU A2075 -6.704 -1.740 4.891 1.00 0.00 H new ATOM 0 HB3 LEU A2075 -5.705 -2.776 5.891 1.00 0.00 H new ATOM 0 HG LEU A2075 -4.707 -0.600 4.032 1.00 0.00 H new ATOM 0 HD11 LEU A2075 -4.069 0.533 6.134 1.00 0.00 H new ATOM 0 HD12 LEU A2075 -5.825 0.260 6.041 1.00 0.00 H new ATOM 0 HD13 LEU A2075 -4.815 -0.787 7.065 1.00 0.00 H new ATOM 0 HD21 LEU A2075 -2.499 -1.030 5.046 1.00 0.00 H new ATOM 0 HD22 LEU A2075 -3.185 -2.405 5.945 1.00 0.00 H new ATOM 0 HD23 LEU A2075 -3.110 -2.453 4.168 1.00 0.00 H new ATOM 769 N ALA A2076 -7.962 -4.043 3.599 1.00 0.00 N ATOM 770 CA ALA A2076 -9.087 -4.982 3.703 1.00 0.00 C ATOM 771 C ALA A2076 -8.874 -6.222 2.828 1.00 0.00 C ATOM 772 O ALA A2076 -9.498 -7.289 3.040 1.00 0.00 O ATOM 773 CB ALA A2076 -10.398 -4.299 3.357 1.00 0.00 C ATOM 0 H ALA A2076 -8.212 -3.143 3.190 1.00 0.00 H new ATOM 0 HA ALA A2076 -9.136 -5.316 4.740 1.00 0.00 H new ATOM 0 HB1 ALA A2076 -11.215 -5.016 3.442 1.00 0.00 H new ATOM 0 HB2 ALA A2076 -10.569 -3.471 4.044 1.00 0.00 H new ATOM 0 HB3 ALA A2076 -10.352 -3.920 2.336 1.00 0.00 H new ATOM 779 N TYR A2077 -8.014 -6.084 1.842 1.00 0.00 N ATOM 780 CA TYR A2077 -7.634 -7.180 0.994 1.00 0.00 C ATOM 781 C TYR A2077 -6.802 -8.177 1.792 1.00 0.00 C ATOM 782 O TYR A2077 -6.871 -9.360 1.557 1.00 0.00 O ATOM 783 CB TYR A2077 -6.869 -6.688 -0.246 1.00 0.00 C ATOM 784 CG TYR A2077 -6.476 -7.801 -1.184 1.00 0.00 C ATOM 785 CD1 TYR A2077 -7.433 -8.443 -1.949 1.00 0.00 C ATOM 786 CD2 TYR A2077 -5.161 -8.229 -1.281 1.00 0.00 C ATOM 787 CE1 TYR A2077 -7.099 -9.478 -2.793 1.00 0.00 C ATOM 788 CE2 TYR A2077 -4.814 -9.267 -2.123 1.00 0.00 C ATOM 789 CZ TYR A2077 -5.789 -9.891 -2.878 1.00 0.00 C ATOM 790 OH TYR A2077 -5.448 -10.933 -3.719 1.00 0.00 O ATOM 0 H TYR A2077 -7.559 -5.201 1.609 1.00 0.00 H new ATOM 0 HA TYR A2077 -8.537 -7.677 0.638 1.00 0.00 H new ATOM 0 HB2 TYR A2077 -7.487 -5.970 -0.784 1.00 0.00 H new ATOM 0 HB3 TYR A2077 -5.972 -6.159 0.075 1.00 0.00 H new ATOM 0 HD1 TYR A2077 -8.463 -8.126 -1.883 1.00 0.00 H new ATOM 0 HD2 TYR A2077 -4.398 -7.744 -0.690 1.00 0.00 H new ATOM 0 HE1 TYR A2077 -7.861 -9.963 -3.385 1.00 0.00 H new ATOM 0 HE2 TYR A2077 -3.786 -9.590 -2.191 1.00 0.00 H new ATOM 0 HH TYR A2077 -4.484 -11.098 -3.661 1.00 0.00 H new ATOM 800 N MET A2078 -6.046 -7.682 2.760 1.00 0.00 N ATOM 801 CA MET A2078 -5.165 -8.523 3.566 1.00 0.00 C ATOM 802 C MET A2078 -5.930 -9.454 4.508 1.00 0.00 C ATOM 803 O MET A2078 -5.400 -10.501 4.901 1.00 0.00 O ATOM 804 CB MET A2078 -4.137 -7.699 4.346 1.00 0.00 C ATOM 805 CG MET A2078 -3.123 -6.979 3.476 1.00 0.00 C ATOM 806 SD MET A2078 -2.174 -8.116 2.441 1.00 0.00 S ATOM 807 CE MET A2078 -1.049 -6.973 1.633 1.00 0.00 C ATOM 0 H MET A2078 -6.023 -6.693 3.010 1.00 0.00 H new ATOM 0 HA MET A2078 -4.629 -9.150 2.854 1.00 0.00 H new ATOM 0 HB2 MET A2078 -4.664 -6.963 4.954 1.00 0.00 H new ATOM 0 HB3 MET A2078 -3.606 -8.358 5.033 1.00 0.00 H new ATOM 0 HG2 MET A2078 -3.639 -6.259 2.841 1.00 0.00 H new ATOM 0 HG3 MET A2078 -2.440 -6.413 4.110 1.00 0.00 H new ATOM 0 HE1 MET A2078 -0.394 -7.523 0.958 1.00 0.00 H new ATOM 0 HE2 MET A2078 -1.621 -6.239 1.065 1.00 0.00 H new ATOM 0 HE3 MET A2078 -0.448 -6.461 2.385 1.00 0.00 H new ATOM 817 N GLU A2079 -7.149 -9.075 4.896 1.00 0.00 N ATOM 818 CA GLU A2079 -8.003 -9.954 5.727 1.00 0.00 C ATOM 819 C GLU A2079 -8.392 -11.176 4.941 1.00 0.00 C ATOM 820 O GLU A2079 -8.281 -12.312 5.412 1.00 0.00 O ATOM 821 CB GLU A2079 -9.286 -9.258 6.179 1.00 0.00 C ATOM 822 CG GLU A2079 -9.141 -8.265 7.308 1.00 0.00 C ATOM 823 CD GLU A2079 -8.301 -7.081 6.980 1.00 0.00 C ATOM 824 OE1 GLU A2079 -8.856 -6.101 6.487 1.00 0.00 O ATOM 825 OE2 GLU A2079 -7.074 -7.116 7.230 1.00 0.00 O ATOM 0 H GLU A2079 -7.572 -8.178 4.656 1.00 0.00 H new ATOM 0 HA GLU A2079 -7.419 -10.219 6.609 1.00 0.00 H new ATOM 0 HB2 GLU A2079 -9.717 -8.742 5.321 1.00 0.00 H new ATOM 0 HB3 GLU A2079 -10.002 -10.022 6.484 1.00 0.00 H new ATOM 0 HG2 GLU A2079 -10.132 -7.922 7.603 1.00 0.00 H new ATOM 0 HG3 GLU A2079 -8.710 -8.774 8.170 1.00 0.00 H new ATOM 832 N ASP A2080 -8.879 -10.908 3.761 1.00 0.00 N ATOM 833 CA ASP A2080 -9.271 -11.930 2.789 1.00 0.00 C ATOM 834 C ASP A2080 -8.029 -12.719 2.393 1.00 0.00 C ATOM 835 O ASP A2080 -8.001 -13.954 2.448 1.00 0.00 O ATOM 836 CB ASP A2080 -9.859 -11.213 1.568 1.00 0.00 C ATOM 837 CG ASP A2080 -10.386 -12.125 0.487 1.00 0.00 C ATOM 838 OD1 ASP A2080 -11.587 -12.475 0.532 1.00 0.00 O ATOM 839 OD2 ASP A2080 -9.653 -12.426 -0.467 1.00 0.00 O ATOM 0 H ASP A2080 -9.024 -9.955 3.426 1.00 0.00 H new ATOM 0 HA ASP A2080 -10.010 -12.615 3.204 1.00 0.00 H new ATOM 0 HB2 ASP A2080 -10.668 -10.564 1.901 1.00 0.00 H new ATOM 0 HB3 ASP A2080 -9.091 -10.570 1.138 1.00 0.00 H new ATOM 844 N ARG A2081 -7.005 -11.956 2.051 1.00 0.00 N ATOM 845 CA ARG A2081 -5.651 -12.378 1.726 1.00 0.00 C ATOM 846 C ARG A2081 -5.567 -13.255 0.488 1.00 0.00 C ATOM 847 O ARG A2081 -5.041 -12.822 -0.539 1.00 0.00 O ATOM 848 CB ARG A2081 -4.936 -12.966 2.945 1.00 0.00 C ATOM 849 CG ARG A2081 -3.430 -13.082 2.786 1.00 0.00 C ATOM 850 CD ARG A2081 -2.756 -13.270 4.134 1.00 0.00 C ATOM 851 NE ARG A2081 -3.021 -12.133 5.052 1.00 0.00 N ATOM 852 CZ ARG A2081 -2.344 -11.872 6.186 1.00 0.00 C ATOM 853 NH1 ARG A2081 -1.383 -12.704 6.602 1.00 0.00 N ATOM 854 NH2 ARG A2081 -2.658 -10.796 6.915 1.00 0.00 N ATOM 0 H ARG A2081 -7.106 -10.943 1.988 1.00 0.00 H new ATOM 0 HA ARG A2081 -5.103 -11.477 1.451 1.00 0.00 H new ATOM 0 HB2 ARG A2081 -5.152 -12.344 3.814 1.00 0.00 H new ATOM 0 HB3 ARG A2081 -5.346 -13.955 3.151 1.00 0.00 H new ATOM 0 HG2 ARG A2081 -3.193 -13.924 2.136 1.00 0.00 H new ATOM 0 HG3 ARG A2081 -3.041 -12.186 2.302 1.00 0.00 H new ATOM 0 HD2 ARG A2081 -3.110 -14.194 4.590 1.00 0.00 H new ATOM 0 HD3 ARG A2081 -1.681 -13.377 3.990 1.00 0.00 H new ATOM 0 HE ARG A2081 -3.779 -11.497 4.803 1.00 0.00 H new ATOM 0 HH11 ARG A2081 -1.161 -13.539 6.060 1.00 0.00 H new ATOM 0 HH12 ARG A2081 -0.872 -12.504 7.462 1.00 0.00 H new ATOM 0 HH21 ARG A2081 -3.409 -10.176 6.611 1.00 0.00 H new ATOM 0 HH22 ARG A2081 -2.147 -10.596 7.775 1.00 0.00 H new ATOM 868 N ARG A2082 -6.073 -14.455 0.560 1.00 0.00 N ATOM 869 CA ARG A2082 -6.076 -15.339 -0.575 1.00 0.00 C ATOM 870 C ARG A2082 -7.418 -16.002 -0.764 1.00 0.00 C ATOM 871 O ARG A2082 -7.688 -17.084 -0.235 1.00 0.00 O ATOM 872 CB ARG A2082 -4.945 -16.375 -0.571 1.00 0.00 C ATOM 873 CG ARG A2082 -3.552 -15.806 -0.827 1.00 0.00 C ATOM 874 CD ARG A2082 -2.540 -16.912 -1.096 1.00 0.00 C ATOM 875 NE ARG A2082 -2.376 -17.825 0.035 1.00 0.00 N ATOM 876 CZ ARG A2082 -2.822 -19.096 0.083 1.00 0.00 C ATOM 877 NH1 ARG A2082 -3.615 -19.579 -0.875 1.00 0.00 N ATOM 878 NH2 ARG A2082 -2.502 -19.868 1.109 1.00 0.00 N ATOM 0 H ARG A2082 -6.493 -14.847 1.402 1.00 0.00 H new ATOM 0 HA ARG A2082 -5.883 -14.695 -1.433 1.00 0.00 H new ATOM 0 HB2 ARG A2082 -4.942 -16.885 0.393 1.00 0.00 H new ATOM 0 HB3 ARG A2082 -5.159 -17.128 -1.329 1.00 0.00 H new ATOM 0 HG2 ARG A2082 -3.586 -15.127 -1.679 1.00 0.00 H new ATOM 0 HG3 ARG A2082 -3.233 -15.220 0.035 1.00 0.00 H new ATOM 0 HD2 ARG A2082 -2.855 -17.480 -1.971 1.00 0.00 H new ATOM 0 HD3 ARG A2082 -1.576 -16.464 -1.337 1.00 0.00 H new ATOM 0 HE ARG A2082 -1.884 -17.471 0.855 1.00 0.00 H new ATOM 0 HH11 ARG A2082 -3.891 -18.984 -1.656 1.00 0.00 H new ATOM 0 HH12 ARG A2082 -3.945 -20.543 -0.826 1.00 0.00 H new ATOM 0 HH21 ARG A2082 -1.919 -19.501 1.861 1.00 0.00 H new ATOM 0 HH22 ARG A2082 -2.838 -20.830 1.148 1.00 0.00 H new ATOM 892 N LYS A2083 -8.267 -15.309 -1.454 1.00 0.00 N ATOM 893 CA LYS A2083 -9.562 -15.786 -1.829 1.00 0.00 C ATOM 894 C LYS A2083 -9.986 -14.956 -3.017 1.00 0.00 C ATOM 895 O LYS A2083 -10.368 -15.492 -4.052 1.00 0.00 O ATOM 896 CB LYS A2083 -10.564 -15.657 -0.674 1.00 0.00 C ATOM 897 CG LYS A2083 -11.914 -16.322 -0.935 1.00 0.00 C ATOM 898 CD LYS A2083 -12.867 -16.150 0.243 1.00 0.00 C ATOM 899 CE LYS A2083 -12.303 -16.760 1.522 1.00 0.00 C ATOM 900 NZ LYS A2083 -13.217 -16.586 2.666 1.00 0.00 N ATOM 0 H LYS A2083 -8.072 -14.364 -1.783 1.00 0.00 H new ATOM 0 HA LYS A2083 -9.531 -16.846 -2.079 1.00 0.00 H new ATOM 0 HB2 LYS A2083 -10.125 -16.094 0.223 1.00 0.00 H new ATOM 0 HB3 LYS A2083 -10.727 -14.599 -0.467 1.00 0.00 H new ATOM 0 HG2 LYS A2083 -12.363 -15.894 -1.831 1.00 0.00 H new ATOM 0 HG3 LYS A2083 -11.765 -17.384 -1.130 1.00 0.00 H new ATOM 0 HD2 LYS A2083 -13.061 -15.089 0.401 1.00 0.00 H new ATOM 0 HD3 LYS A2083 -13.823 -16.618 0.008 1.00 0.00 H new ATOM 0 HE2 LYS A2083 -12.116 -17.822 1.365 1.00 0.00 H new ATOM 0 HE3 LYS A2083 -11.343 -16.298 1.751 1.00 0.00 H new ATOM 0 HZ1 LYS A2083 -12.796 -17.015 3.515 1.00 0.00 H new ATOM 0 HZ2 LYS A2083 -13.376 -15.572 2.832 1.00 0.00 H new ATOM 0 HZ3 LYS A2083 -14.125 -17.049 2.458 1.00 0.00 H new ATOM 914 N GLN A2084 -9.888 -13.628 -2.834 1.00 0.00 N ATOM 915 CA GLN A2084 -10.089 -12.616 -3.874 1.00 0.00 C ATOM 916 C GLN A2084 -11.539 -12.512 -4.351 1.00 0.00 C ATOM 917 O GLN A2084 -12.071 -13.407 -5.009 1.00 0.00 O ATOM 918 CB GLN A2084 -9.112 -12.814 -5.045 1.00 0.00 C ATOM 919 CG GLN A2084 -9.252 -11.785 -6.159 1.00 0.00 C ATOM 920 CD GLN A2084 -8.236 -11.960 -7.275 1.00 0.00 C ATOM 921 OE1 GLN A2084 -7.799 -13.178 -7.511 1.00 0.00 O flip ATOM 922 NE2 GLN A2084 -7.843 -10.992 -7.929 1.00 0.00 N flip ATOM 0 H GLN A2084 -9.659 -13.221 -1.927 1.00 0.00 H new ATOM 0 HA GLN A2084 -9.865 -11.656 -3.410 1.00 0.00 H new ATOM 0 HB2 GLN A2084 -8.092 -12.781 -4.662 1.00 0.00 H new ATOM 0 HB3 GLN A2084 -9.263 -13.809 -5.464 1.00 0.00 H new ATOM 0 HG2 GLN A2084 -10.256 -11.849 -6.579 1.00 0.00 H new ATOM 0 HG3 GLN A2084 -9.147 -10.786 -5.736 1.00 0.00 H new ATOM 0 HE21 GLN A2084 -8.200 -10.059 -7.723 1.00 0.00 H new ATOM 0 HE22 GLN A2084 -7.161 -11.124 -8.676 1.00 0.00 H new ATOM 931 N LYS A2085 -12.167 -11.420 -3.999 1.00 0.00 N ATOM 932 CA LYS A2085 -13.519 -11.137 -4.423 1.00 0.00 C ATOM 933 C LYS A2085 -13.479 -10.147 -5.588 1.00 0.00 C ATOM 934 O LYS A2085 -13.438 -8.916 -5.405 1.00 0.00 O ATOM 935 CB LYS A2085 -14.400 -10.643 -3.240 1.00 0.00 C ATOM 936 CG LYS A2085 -13.806 -9.481 -2.431 1.00 0.00 C ATOM 937 CD LYS A2085 -14.698 -9.054 -1.265 1.00 0.00 C ATOM 938 CE LYS A2085 -14.761 -10.105 -0.157 1.00 0.00 C ATOM 939 NZ LYS A2085 -13.456 -10.298 0.527 1.00 0.00 N ATOM 0 H LYS A2085 -11.756 -10.698 -3.408 1.00 0.00 H new ATOM 0 HA LYS A2085 -13.991 -12.055 -4.772 1.00 0.00 H new ATOM 0 HB2 LYS A2085 -15.369 -10.335 -3.632 1.00 0.00 H new ATOM 0 HB3 LYS A2085 -14.580 -11.481 -2.566 1.00 0.00 H new ATOM 0 HG2 LYS A2085 -12.829 -9.774 -2.047 1.00 0.00 H new ATOM 0 HG3 LYS A2085 -13.646 -8.629 -3.091 1.00 0.00 H new ATOM 0 HD2 LYS A2085 -14.325 -8.117 -0.851 1.00 0.00 H new ATOM 0 HD3 LYS A2085 -15.705 -8.860 -1.635 1.00 0.00 H new ATOM 0 HE2 LYS A2085 -15.511 -9.809 0.577 1.00 0.00 H new ATOM 0 HE3 LYS A2085 -15.088 -11.054 -0.581 1.00 0.00 H new ATOM 0 HZ1 LYS A2085 -13.067 -11.230 0.277 1.00 0.00 H new ATOM 0 HZ2 LYS A2085 -12.793 -9.555 0.227 1.00 0.00 H new ATOM 0 HZ3 LYS A2085 -13.593 -10.245 1.557 1.00 0.00 H new TER 953 LYS A2085