USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 640 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 ASN : amide:sc= -0.992 K(o=-0.99,f=-6!) USER MOD Set 1.2: A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -133:sc= 0.152 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 3 MET CE :methyl 174:sc= 0 (180deg=-0.0515) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.045 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0611 USER MOD Single : A 17 CYS SG : rot 170:sc= -0.0787 USER MOD Single : A 18 MET CE :methyl 158:sc= 0 (180deg=-0.0331) USER MOD Single : A 19 GLN : amide:sc= -0.843 X(o=-0.84,f=-0.6) USER MOD Single : A 34 SER OG : rot -42:sc= 0.588 USER MOD Single : A 35 THR OG1 : rot -120:sc= 1.22 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 176:sc= -0.357 (180deg=-0.475) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 161:sc= 0.133 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -111:sc= 0.0286 USER MOD Single : A 74 THR OG1 : rot -140:sc= -0.337 USER MOD Single : A 76 GLN :FLIP amide:sc= 0 F(o=-2.3!,f=0) USER MOD Single : A 86 GLN : amide:sc= -0.171 X(o=-0.17,f=-0.17) USER MOD Single : A 88 SER OG : rot 89:sc= 0.12 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 92 LYS NZ :NH3+ 147:sc= 0.179 (180deg=-0.89) USER MOD Single : A 93 ASN : amide:sc= -0.109 K(o=-0.11,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.624 21.651 -4.110 1.00 63.11 N ATOM 2 CA GLY A 1 -14.413 20.866 -3.835 1.00 22.34 C ATOM 3 C GLY A 1 -14.029 20.010 -5.027 1.00 1.23 C ATOM 4 O GLY A 1 -14.731 20.055 -6.032 1.00 2.25 O ATOM 0 H1 GLY A 1 -15.473 22.637 -3.816 1.00 63.11 H new ATOM 0 H2 GLY A 1 -15.833 21.621 -5.128 1.00 63.11 H new ATOM 0 H3 GLY A 1 -16.425 21.251 -3.580 1.00 63.11 H new ATOM 0 HA2 GLY A 1 -13.591 21.537 -3.586 1.00 22.34 H new ATOM 0 HA3 GLY A 1 -14.579 20.230 -2.966 1.00 22.34 H new ATOM 8 N HIS A 2 -12.939 19.237 -4.909 1.00 40.00 N ATOM 9 CA HIS A 2 -12.454 18.263 -5.896 1.00 23.23 C ATOM 10 C HIS A 2 -12.434 18.858 -7.317 1.00 31.35 C ATOM 11 O HIS A 2 -13.348 18.660 -8.116 1.00 2.34 O ATOM 12 CB HIS A 2 -13.256 16.956 -5.742 1.00 2.03 C ATOM 13 CG HIS A 2 -12.991 15.910 -6.799 1.00 60.44 C ATOM 14 ND1 HIS A 2 -13.788 15.686 -7.897 1.00 60.14 N ATOM 15 CD2 HIS A 2 -11.943 15.030 -6.855 1.00 12.24 C ATOM 16 CE1 HIS A 2 -13.216 14.725 -8.635 1.00 63.51 C ATOM 17 NE2 HIS A 2 -12.086 14.297 -8.044 1.00 11.04 N ATOM 0 H HIS A 2 -12.343 19.277 -4.082 1.00 40.00 H new ATOM 0 HA HIS A 2 -11.410 18.012 -5.708 1.00 23.23 H new ATOM 0 HB2 HIS A 2 -13.035 16.526 -4.765 1.00 2.03 H new ATOM 0 HB3 HIS A 2 -14.319 17.198 -5.751 1.00 2.03 H new ATOM 0 HD2 HIS A 2 -11.156 14.921 -6.123 1.00 12.24 H new ATOM 0 HE1 HIS A 2 -13.606 14.349 -9.569 1.00 63.51 H new ATOM 0 HE2 HIS A 2 -11.453 13.577 -8.393 1.00 11.04 H new ATOM 24 N MET A 3 -11.388 19.634 -7.619 1.00 0.31 N ATOM 25 CA MET A 3 -11.210 20.303 -8.910 1.00 33.53 C ATOM 26 C MET A 3 -9.793 20.078 -9.424 1.00 64.11 C ATOM 27 O MET A 3 -9.610 19.519 -10.501 1.00 15.24 O ATOM 28 CB MET A 3 -11.503 21.808 -8.796 1.00 2.43 C ATOM 29 CG MET A 3 -12.982 22.113 -8.543 1.00 11.02 C ATOM 30 SD MET A 3 -13.325 23.854 -8.161 1.00 61.54 S ATOM 31 CE MET A 3 -12.872 24.659 -9.722 1.00 62.21 C ATOM 0 H MET A 3 -10.630 19.817 -6.962 1.00 0.31 H new ATOM 0 HA MET A 3 -11.918 19.874 -9.619 1.00 33.53 H new ATOM 0 HB2 MET A 3 -10.907 22.228 -7.985 1.00 2.43 H new ATOM 0 HB3 MET A 3 -11.187 22.304 -9.714 1.00 2.43 H new ATOM 0 HG2 MET A 3 -13.557 21.825 -9.423 1.00 11.02 H new ATOM 0 HG3 MET A 3 -13.333 21.495 -7.717 1.00 11.02 H new ATOM 0 HE1 MET A 3 -13.130 25.717 -9.674 1.00 62.21 H new ATOM 0 HE2 MET A 3 -11.800 24.554 -9.888 1.00 62.21 H new ATOM 0 HE3 MET A 3 -13.414 24.190 -10.544 1.00 62.21 H new ATOM 39 N ASN A 4 -8.782 20.512 -8.663 1.00 44.42 N ATOM 40 CA ASN A 4 -7.375 20.407 -9.040 1.00 35.15 C ATOM 41 C ASN A 4 -6.617 19.654 -7.963 1.00 34.53 C ATOM 42 O ASN A 4 -7.011 19.692 -6.798 1.00 11.45 O ATOM 43 CB ASN A 4 -6.771 21.800 -9.284 1.00 71.33 C ATOM 44 CG ASN A 4 -6.748 22.121 -10.767 1.00 43.14 C ATOM 45 OD1 ASN A 4 -6.065 21.438 -11.526 1.00 63.10 O ATOM 46 ND2 ASN A 4 -7.491 23.111 -11.227 1.00 62.42 N ATOM 0 H ASN A 4 -8.925 20.952 -7.754 1.00 44.42 H new ATOM 0 HA ASN A 4 -7.293 19.851 -9.974 1.00 35.15 H new ATOM 0 HB2 ASN A 4 -7.353 22.553 -8.753 1.00 71.33 H new ATOM 0 HB3 ASN A 4 -5.758 21.838 -8.883 1.00 71.33 H new ATOM 0 HD21 ASN A 4 -7.503 23.318 -12.226 1.00 62.42 H new ATOM 0 HD22 ASN A 4 -8.053 23.669 -10.584 1.00 62.42 H new ATOM 52 N LEU A 5 -5.532 18.982 -8.344 1.00 13.02 N ATOM 53 CA LEU A 5 -4.684 18.177 -7.468 1.00 11.41 C ATOM 54 C LEU A 5 -4.004 19.098 -6.445 1.00 31.24 C ATOM 55 O LEU A 5 -3.384 20.086 -6.860 1.00 23.41 O ATOM 56 CB LEU A 5 -3.648 17.438 -8.355 1.00 1.23 C ATOM 57 CG LEU A 5 -3.527 15.921 -8.139 1.00 60.50 C ATOM 58 CD1 LEU A 5 -3.069 15.619 -6.716 1.00 40.00 C ATOM 59 CD2 LEU A 5 -4.823 15.168 -8.462 1.00 44.32 C ATOM 0 H LEU A 5 -5.207 18.984 -9.311 1.00 13.02 H new ATOM 0 HA LEU A 5 -5.265 17.439 -6.915 1.00 11.41 H new ATOM 0 HB2 LEU A 5 -3.903 17.616 -9.400 1.00 1.23 H new ATOM 0 HB3 LEU A 5 -2.669 17.887 -8.185 1.00 1.23 H new ATOM 0 HG LEU A 5 -2.775 15.562 -8.841 1.00 60.50 H new ATOM 0 HD11 LEU A 5 -2.989 14.540 -6.581 1.00 40.00 H new ATOM 0 HD12 LEU A 5 -2.097 16.080 -6.541 1.00 40.00 H new ATOM 0 HD13 LEU A 5 -3.794 16.021 -6.008 1.00 40.00 H new ATOM 0 HD21 LEU A 5 -4.677 14.102 -8.291 1.00 44.32 H new ATOM 0 HD22 LEU A 5 -5.625 15.532 -7.820 1.00 44.32 H new ATOM 0 HD23 LEU A 5 -5.090 15.334 -9.506 1.00 44.32 H new ATOM 70 N THR A 6 -4.088 18.821 -5.138 1.00 21.35 N ATOM 71 CA THR A 6 -3.298 19.537 -4.119 1.00 55.12 C ATOM 72 C THR A 6 -1.859 18.978 -4.118 1.00 34.51 C ATOM 73 O THR A 6 -1.633 17.875 -4.626 1.00 72.13 O ATOM 74 CB THR A 6 -3.991 19.501 -2.727 1.00 62.42 C ATOM 75 OG1 THR A 6 -3.101 19.765 -1.672 1.00 73.22 O ATOM 76 CG2 THR A 6 -4.689 18.198 -2.350 1.00 54.42 C ATOM 0 H THR A 6 -4.700 18.100 -4.755 1.00 21.35 H new ATOM 0 HA THR A 6 -3.238 20.596 -4.368 1.00 55.12 H new ATOM 0 HB THR A 6 -4.743 20.280 -2.852 1.00 62.42 H new ATOM 0 HG1 THR A 6 -3.585 19.733 -0.820 1.00 73.22 H new ATOM 0 HG21 THR A 6 -5.133 18.297 -1.359 1.00 54.42 H new ATOM 0 HG22 THR A 6 -5.470 17.980 -3.078 1.00 54.42 H new ATOM 0 HG23 THR A 6 -3.963 17.385 -2.343 1.00 54.42 H new ATOM 84 N PRO A 7 -0.847 19.713 -3.623 1.00 0.04 N ATOM 85 CA PRO A 7 0.469 19.145 -3.355 1.00 74.51 C ATOM 86 C PRO A 7 0.411 18.051 -2.281 1.00 1.33 C ATOM 87 O PRO A 7 1.197 17.106 -2.348 1.00 2.15 O ATOM 88 CB PRO A 7 1.352 20.320 -2.913 1.00 21.22 C ATOM 89 CG PRO A 7 0.348 21.358 -2.414 1.00 3.34 C ATOM 90 CD PRO A 7 -0.861 21.137 -3.315 1.00 21.22 C ATOM 0 HA PRO A 7 0.872 18.657 -4.243 1.00 74.51 H new ATOM 0 HB2 PRO A 7 2.047 20.025 -2.127 1.00 21.22 H new ATOM 0 HB3 PRO A 7 1.949 20.705 -3.739 1.00 21.22 H new ATOM 0 HG2 PRO A 7 0.100 21.206 -1.364 1.00 3.34 H new ATOM 0 HG3 PRO A 7 0.738 22.372 -2.506 1.00 3.34 H new ATOM 0 HD2 PRO A 7 -1.785 21.423 -2.813 1.00 21.22 H new ATOM 0 HD3 PRO A 7 -0.792 21.738 -4.222 1.00 21.22 H new ATOM 95 N GLU A 8 -0.515 18.134 -1.325 1.00 15.12 N ATOM 96 CA GLU A 8 -0.556 17.225 -0.176 1.00 35.11 C ATOM 97 C GLU A 8 -0.993 15.832 -0.631 1.00 34.34 C ATOM 98 O GLU A 8 -0.467 14.815 -0.183 1.00 73.14 O ATOM 99 CB GLU A 8 -1.553 17.761 0.858 1.00 54.31 C ATOM 100 CG GLU A 8 -1.198 19.168 1.365 1.00 52.20 C ATOM 101 CD GLU A 8 -2.312 19.730 2.242 1.00 54.02 C ATOM 102 OE1 GLU A 8 -3.498 19.633 1.856 1.00 4.42 O ATOM 103 OE2 GLU A 8 -2.036 20.286 3.327 1.00 44.00 O ATOM 0 H GLU A 8 -1.258 18.833 -1.324 1.00 15.12 H new ATOM 0 HA GLU A 8 0.437 17.161 0.269 1.00 35.11 H new ATOM 0 HB2 GLU A 8 -2.549 17.781 0.417 1.00 54.31 H new ATOM 0 HB3 GLU A 8 -1.593 17.076 1.705 1.00 54.31 H new ATOM 0 HG2 GLU A 8 -0.268 19.130 1.932 1.00 52.20 H new ATOM 0 HG3 GLU A 8 -1.028 19.832 0.517 1.00 52.20 H new ATOM 108 N GLU A 9 -1.919 15.775 -1.591 1.00 41.01 N ATOM 109 CA GLU A 9 -2.299 14.544 -2.266 1.00 53.40 C ATOM 110 C GLU A 9 -1.071 13.884 -2.884 1.00 21.43 C ATOM 111 O GLU A 9 -0.914 12.678 -2.774 1.00 13.45 O ATOM 112 CB GLU A 9 -3.303 14.840 -3.382 1.00 14.15 C ATOM 113 CG GLU A 9 -4.763 14.678 -2.958 1.00 72.51 C ATOM 114 CD GLU A 9 -5.649 14.899 -4.181 1.00 22.54 C ATOM 115 OE1 GLU A 9 -5.513 14.114 -5.141 1.00 2.15 O ATOM 116 OE2 GLU A 9 -6.415 15.896 -4.175 1.00 32.33 O ATOM 0 H GLU A 9 -2.428 16.595 -1.921 1.00 41.01 H new ATOM 0 HA GLU A 9 -2.749 13.878 -1.530 1.00 53.40 H new ATOM 0 HB2 GLU A 9 -3.148 15.859 -3.736 1.00 14.15 H new ATOM 0 HB3 GLU A 9 -3.103 14.176 -4.223 1.00 14.15 H new ATOM 0 HG2 GLU A 9 -4.929 13.683 -2.544 1.00 72.51 H new ATOM 0 HG3 GLU A 9 -5.012 15.394 -2.175 1.00 72.51 H new ATOM 121 N ARG A 10 -0.214 14.658 -3.555 1.00 63.21 N ATOM 122 CA ARG A 10 0.960 14.124 -4.242 1.00 2.33 C ATOM 123 C ARG A 10 2.021 13.608 -3.283 1.00 2.11 C ATOM 124 O ARG A 10 2.903 12.881 -3.733 1.00 12.45 O ATOM 125 CB ARG A 10 1.530 15.168 -5.210 1.00 20.11 C ATOM 126 CG ARG A 10 0.759 15.091 -6.530 1.00 73.41 C ATOM 127 CD ARG A 10 0.961 16.359 -7.344 1.00 42.03 C ATOM 128 NE ARG A 10 0.298 16.228 -8.653 1.00 60.30 N ATOM 129 CZ ARG A 10 0.071 17.172 -9.568 1.00 43.10 C ATOM 130 NH1 ARG A 10 0.315 18.454 -9.313 1.00 75.13 N ATOM 131 NH2 ARG A 10 -0.417 16.833 -10.750 1.00 42.44 N ATOM 0 H ARG A 10 -0.316 15.670 -3.636 1.00 63.21 H new ATOM 0 HA ARG A 10 0.634 13.258 -4.818 1.00 2.33 H new ATOM 0 HB2 ARG A 10 1.445 16.166 -4.781 1.00 20.11 H new ATOM 0 HB3 ARG A 10 2.591 14.984 -5.381 1.00 20.11 H new ATOM 0 HG2 ARG A 10 1.095 14.227 -7.104 1.00 73.41 H new ATOM 0 HG3 ARG A 10 -0.303 14.947 -6.329 1.00 73.41 H new ATOM 0 HD2 ARG A 10 0.555 17.215 -6.805 1.00 42.03 H new ATOM 0 HD3 ARG A 10 2.026 16.546 -7.483 1.00 42.03 H new ATOM 0 HE ARG A 10 -0.031 15.292 -8.891 1.00 60.30 H new ATOM 0 HH11 ARG A 10 0.683 18.732 -8.403 1.00 75.13 H new ATOM 0 HH12 ARG A 10 0.134 19.159 -10.027 1.00 75.13 H new ATOM 0 HH21 ARG A 10 -0.617 15.855 -10.957 1.00 42.44 H new ATOM 0 HH22 ARG A 10 -0.593 17.550 -11.454 1.00 42.44 H new ATOM 142 N ASP A 11 1.957 13.942 -1.998 1.00 60.50 N ATOM 143 CA ASP A 11 2.678 13.165 -0.989 1.00 0.42 C ATOM 144 C ASP A 11 1.870 11.904 -0.645 1.00 15.45 C ATOM 145 O ASP A 11 2.384 10.789 -0.740 1.00 74.52 O ATOM 146 CB ASP A 11 3.006 14.010 0.250 1.00 60.41 C ATOM 147 CG ASP A 11 4.255 13.455 0.948 1.00 43.23 C ATOM 148 OD1 ASP A 11 4.162 12.446 1.677 1.00 24.12 O ATOM 149 OD2 ASP A 11 5.362 14.017 0.743 1.00 32.24 O ATOM 0 H ASP A 11 1.424 14.731 -1.632 1.00 60.50 H new ATOM 0 HA ASP A 11 3.640 12.853 -1.397 1.00 0.42 H new ATOM 0 HB2 ASP A 11 3.172 15.047 -0.041 1.00 60.41 H new ATOM 0 HB3 ASP A 11 2.161 14.004 0.939 1.00 60.41 H new ATOM 153 N ALA A 12 0.583 12.054 -0.313 1.00 22.43 N ATOM 154 CA ALA A 12 -0.349 11.021 0.156 1.00 54.03 C ATOM 155 C ALA A 12 -0.858 10.044 -0.935 1.00 53.23 C ATOM 156 O ALA A 12 -2.039 9.683 -0.958 1.00 35.31 O ATOM 157 CB ALA A 12 -1.518 11.731 0.851 1.00 0.15 C ATOM 0 H ALA A 12 0.132 12.967 -0.369 1.00 22.43 H new ATOM 0 HA ALA A 12 0.199 10.376 0.842 1.00 54.03 H new ATOM 0 HB1 ALA A 12 -2.231 10.990 1.212 1.00 0.15 H new ATOM 0 HB2 ALA A 12 -1.142 12.313 1.692 1.00 0.15 H new ATOM 0 HB3 ALA A 12 -2.013 12.395 0.143 1.00 0.15 H new ATOM 163 N ARG A 13 0.001 9.597 -1.855 1.00 60.20 N ATOM 164 CA ARG A 13 -0.282 8.598 -2.906 1.00 55.32 C ATOM 165 C ARG A 13 -0.086 7.144 -2.434 1.00 44.33 C ATOM 166 O ARG A 13 -0.220 6.221 -3.235 1.00 41.13 O ATOM 167 CB ARG A 13 0.601 8.928 -4.123 1.00 0.45 C ATOM 168 CG ARG A 13 0.185 10.222 -4.845 1.00 4.12 C ATOM 169 CD ARG A 13 -1.262 10.187 -5.339 1.00 32.51 C ATOM 170 NE ARG A 13 -2.212 11.183 -4.797 1.00 53.34 N ATOM 171 CZ ARG A 13 -3.393 10.907 -4.218 1.00 54.01 C ATOM 172 NH1 ARG A 13 -3.573 9.822 -3.473 1.00 63.14 N ATOM 173 NH2 ARG A 13 -4.454 11.684 -4.394 1.00 12.24 N ATOM 0 H ARG A 13 0.963 9.935 -1.895 1.00 60.20 H new ATOM 0 HA ARG A 13 -1.337 8.660 -3.174 1.00 55.32 H new ATOM 0 HB2 ARG A 13 1.637 9.019 -3.797 1.00 0.45 H new ATOM 0 HB3 ARG A 13 0.561 8.098 -4.828 1.00 0.45 H new ATOM 0 HG2 ARG A 13 0.313 11.067 -4.168 1.00 4.12 H new ATOM 0 HG3 ARG A 13 0.849 10.389 -5.693 1.00 4.12 H new ATOM 0 HD2 ARG A 13 -1.246 10.298 -6.423 1.00 32.51 H new ATOM 0 HD3 ARG A 13 -1.662 9.196 -5.126 1.00 32.51 H new ATOM 0 HE ARG A 13 -1.947 12.165 -4.869 1.00 53.34 H new ATOM 0 HH11 ARG A 13 -2.802 9.170 -3.327 1.00 63.14 H new ATOM 0 HH12 ARG A 13 -4.482 9.641 -3.047 1.00 63.14 H new ATOM 0 HH21 ARG A 13 -4.386 12.515 -4.981 1.00 12.24 H new ATOM 0 HH22 ARG A 13 -5.338 11.450 -3.942 1.00 12.24 H new ATOM 184 N THR A 14 0.243 6.927 -1.166 1.00 74.30 N ATOM 185 CA THR A 14 0.626 5.632 -0.613 1.00 60.51 C ATOM 186 C THR A 14 -0.596 4.693 -0.541 1.00 64.22 C ATOM 187 O THR A 14 -1.721 5.163 -0.344 1.00 31.22 O ATOM 188 CB THR A 14 1.226 5.896 0.786 1.00 2.41 C ATOM 189 OG1 THR A 14 1.822 7.181 0.884 1.00 52.42 O ATOM 190 CG2 THR A 14 2.237 4.865 1.273 1.00 12.45 C ATOM 0 H THR A 14 0.251 7.673 -0.470 1.00 74.30 H new ATOM 0 HA THR A 14 1.362 5.136 -1.246 1.00 60.51 H new ATOM 0 HB THR A 14 0.353 5.824 1.435 1.00 2.41 H new ATOM 0 HG1 THR A 14 2.186 7.305 1.785 1.00 52.42 H new ATOM 0 HG21 THR A 14 2.595 5.146 2.264 1.00 12.45 H new ATOM 0 HG22 THR A 14 1.762 3.885 1.323 1.00 12.45 H new ATOM 0 HG23 THR A 14 3.078 4.825 0.581 1.00 12.45 H new ATOM 198 N VAL A 15 -0.400 3.372 -0.602 1.00 3.31 N ATOM 199 CA VAL A 15 -1.431 2.367 -0.304 1.00 72.11 C ATOM 200 C VAL A 15 -1.027 1.658 0.997 1.00 2.11 C ATOM 201 O VAL A 15 0.069 1.902 1.502 1.00 1.23 O ATOM 202 CB VAL A 15 -1.706 1.439 -1.518 1.00 35.43 C ATOM 203 CG1 VAL A 15 -2.437 2.226 -2.614 1.00 40.23 C ATOM 204 CG2 VAL A 15 -0.455 0.785 -2.128 1.00 12.22 C ATOM 0 H VAL A 15 0.496 2.961 -0.865 1.00 3.31 H new ATOM 0 HA VAL A 15 -2.403 2.831 -0.134 1.00 72.11 H new ATOM 0 HB VAL A 15 -2.317 0.625 -1.127 1.00 35.43 H new ATOM 0 HG11 VAL A 15 -2.629 1.572 -3.465 1.00 40.23 H new ATOM 0 HG12 VAL A 15 -3.383 2.600 -2.223 1.00 40.23 H new ATOM 0 HG13 VAL A 15 -1.819 3.065 -2.933 1.00 40.23 H new ATOM 0 HG21 VAL A 15 -0.747 0.156 -2.969 1.00 12.22 H new ATOM 0 HG22 VAL A 15 0.228 1.560 -2.475 1.00 12.22 H new ATOM 0 HG23 VAL A 15 0.041 0.175 -1.373 1.00 12.22 H new ATOM 214 N PHE A 16 -1.900 0.839 1.588 1.00 4.52 N ATOM 215 CA PHE A 16 -1.733 0.239 2.908 1.00 23.05 C ATOM 216 C PHE A 16 -2.186 -1.216 2.862 1.00 74.33 C ATOM 217 O PHE A 16 -3.372 -1.545 2.804 1.00 13.54 O ATOM 218 CB PHE A 16 -2.507 1.020 3.972 1.00 15.45 C ATOM 219 CG PHE A 16 -2.452 0.421 5.371 1.00 51.31 C ATOM 220 CD1 PHE A 16 -1.255 -0.121 5.880 1.00 42.54 C ATOM 221 CD2 PHE A 16 -3.604 0.413 6.179 1.00 4.22 C ATOM 222 CE1 PHE A 16 -1.219 -0.702 7.156 1.00 40.54 C ATOM 223 CE2 PHE A 16 -3.566 -0.147 7.468 1.00 60.14 C ATOM 224 CZ PHE A 16 -2.377 -0.726 7.945 1.00 12.44 C ATOM 0 H PHE A 16 -2.775 0.567 1.141 1.00 4.52 H new ATOM 0 HA PHE A 16 -0.679 0.277 3.183 1.00 23.05 H new ATOM 0 HB2 PHE A 16 -2.116 2.037 4.012 1.00 15.45 H new ATOM 0 HB3 PHE A 16 -3.550 1.091 3.663 1.00 15.45 H new ATOM 0 HD1 PHE A 16 -0.356 -0.089 5.282 1.00 42.54 H new ATOM 0 HD2 PHE A 16 -4.523 0.840 5.806 1.00 4.22 H new ATOM 0 HE1 PHE A 16 -0.301 -1.130 7.530 1.00 40.54 H new ATOM 0 HE2 PHE A 16 -4.448 -0.132 8.091 1.00 60.14 H new ATOM 0 HZ PHE A 16 -2.356 -1.190 8.920 1.00 12.44 H new ATOM 233 N CYS A 17 -1.201 -2.090 2.847 1.00 43.14 N ATOM 234 CA CYS A 17 -1.321 -3.517 2.693 1.00 73.14 C ATOM 235 C CYS A 17 -1.503 -4.181 4.056 1.00 15.11 C ATOM 236 O CYS A 17 -0.565 -4.769 4.590 1.00 24.31 O ATOM 237 CB CYS A 17 -0.033 -4.007 2.031 1.00 54.30 C ATOM 238 SG CYS A 17 0.301 -3.188 0.439 1.00 73.34 S ATOM 0 H CYS A 17 -0.229 -1.797 2.950 1.00 43.14 H new ATOM 0 HA CYS A 17 -2.189 -3.770 2.084 1.00 73.14 H new ATOM 0 HB2 CYS A 17 0.805 -3.834 2.706 1.00 54.30 H new ATOM 0 HB3 CYS A 17 -0.098 -5.084 1.873 1.00 54.30 H new ATOM 0 HG CYS A 17 1.501 -3.488 0.040 1.00 73.34 H new ATOM 243 N MET A 18 -2.694 -4.077 4.643 1.00 41.20 N ATOM 244 CA MET A 18 -2.951 -4.545 6.008 1.00 53.20 C ATOM 245 C MET A 18 -3.213 -6.069 6.094 1.00 34.24 C ATOM 246 O MET A 18 -3.940 -6.513 6.984 1.00 52.10 O ATOM 247 CB MET A 18 -4.099 -3.716 6.627 1.00 12.51 C ATOM 248 CG MET A 18 -4.182 -3.822 8.163 1.00 20.03 C ATOM 249 SD MET A 18 -5.858 -4.005 8.850 1.00 12.15 S ATOM 250 CE MET A 18 -6.481 -2.315 8.649 1.00 1.34 C ATOM 0 H MET A 18 -3.509 -3.666 4.188 1.00 41.20 H new ATOM 0 HA MET A 18 -2.045 -4.387 6.593 1.00 53.20 H new ATOM 0 HB2 MET A 18 -3.970 -2.670 6.350 1.00 12.51 H new ATOM 0 HB3 MET A 18 -5.045 -4.045 6.197 1.00 12.51 H new ATOM 0 HG2 MET A 18 -3.583 -4.674 8.483 1.00 20.03 H new ATOM 0 HG3 MET A 18 -3.727 -2.931 8.596 1.00 20.03 H new ATOM 0 HE1 MET A 18 -7.571 -2.327 8.644 1.00 1.34 H new ATOM 0 HE2 MET A 18 -6.129 -1.697 9.475 1.00 1.34 H new ATOM 0 HE3 MET A 18 -6.119 -1.903 7.707 1.00 1.34 H new ATOM 258 N GLN A 19 -2.722 -6.889 5.155 1.00 55.34 N ATOM 259 CA GLN A 19 -3.089 -8.307 5.109 1.00 20.33 C ATOM 260 C GLN A 19 -1.960 -9.193 4.554 1.00 32.43 C ATOM 261 O GLN A 19 -2.174 -10.009 3.661 1.00 34.13 O ATOM 262 CB GLN A 19 -4.445 -8.427 4.376 1.00 1.11 C ATOM 263 CG GLN A 19 -5.180 -9.706 4.813 1.00 64.00 C ATOM 264 CD GLN A 19 -6.601 -9.877 4.266 1.00 75.30 C ATOM 265 OE1 GLN A 19 -7.373 -10.661 4.822 1.00 64.02 O ATOM 266 NE2 GLN A 19 -7.007 -9.216 3.192 1.00 23.35 N ATOM 0 H GLN A 19 -2.075 -6.596 4.423 1.00 55.34 H new ATOM 0 HA GLN A 19 -3.223 -8.701 6.116 1.00 20.33 H new ATOM 0 HB2 GLN A 19 -5.061 -7.554 4.592 1.00 1.11 H new ATOM 0 HB3 GLN A 19 -4.283 -8.443 3.298 1.00 1.11 H new ATOM 0 HG2 GLN A 19 -4.586 -10.567 4.506 1.00 64.00 H new ATOM 0 HG3 GLN A 19 -5.225 -9.723 5.902 1.00 64.00 H new ATOM 0 HE21 GLN A 19 -6.376 -8.565 2.725 1.00 23.35 H new ATOM 0 HE22 GLN A 19 -7.951 -9.358 2.832 1.00 23.35 H new ATOM 273 N LEU A 20 -0.732 -9.021 5.063 1.00 2.43 N ATOM 274 CA LEU A 20 0.440 -9.721 4.517 1.00 23.01 C ATOM 275 C LEU A 20 0.558 -11.178 4.986 1.00 20.12 C ATOM 276 O LEU A 20 -0.076 -11.587 5.966 1.00 0.32 O ATOM 277 CB LEU A 20 1.743 -8.967 4.829 1.00 3.54 C ATOM 278 CG LEU A 20 1.762 -7.489 4.403 1.00 74.00 C ATOM 279 CD1 LEU A 20 3.171 -6.941 4.625 1.00 35.24 C ATOM 280 CD2 LEU A 20 1.367 -7.287 2.941 1.00 55.51 C ATOM 0 H LEU A 20 -0.524 -8.405 5.849 1.00 2.43 H new ATOM 0 HA LEU A 20 0.284 -9.742 3.438 1.00 23.01 H new ATOM 0 HB2 LEU A 20 1.928 -9.022 5.902 1.00 3.54 H new ATOM 0 HB3 LEU A 20 2.568 -9.481 4.337 1.00 3.54 H new ATOM 0 HG LEU A 20 1.026 -6.958 5.007 1.00 74.00 H new ATOM 0 HD11 LEU A 20 3.205 -5.893 4.328 1.00 35.24 H new ATOM 0 HD12 LEU A 20 3.433 -7.028 5.679 1.00 35.24 H new ATOM 0 HD13 LEU A 20 3.881 -7.511 4.026 1.00 35.24 H new ATOM 0 HD21 LEU A 20 1.399 -6.225 2.699 1.00 55.51 H new ATOM 0 HD22 LEU A 20 2.063 -7.827 2.298 1.00 55.51 H new ATOM 0 HD23 LEU A 20 0.357 -7.665 2.781 1.00 55.51 H new ATOM 291 N ALA A 21 1.435 -11.937 4.314 1.00 31.22 N ATOM 292 CA ALA A 21 1.747 -13.351 4.537 1.00 3.11 C ATOM 293 C ALA A 21 3.096 -13.507 5.265 1.00 43.42 C ATOM 294 O ALA A 21 3.562 -12.574 5.926 1.00 34.24 O ATOM 295 CB ALA A 21 1.696 -14.135 3.216 1.00 23.42 C ATOM 0 H ALA A 21 1.983 -11.549 3.546 1.00 31.22 H new ATOM 0 HA ALA A 21 0.986 -13.779 5.189 1.00 3.11 H new ATOM 0 HB1 ALA A 21 1.931 -15.182 3.405 1.00 23.42 H new ATOM 0 HB2 ALA A 21 0.697 -14.059 2.786 1.00 23.42 H new ATOM 0 HB3 ALA A 21 2.424 -13.720 2.518 1.00 23.42 H new ATOM 301 N ALA A 22 3.706 -14.700 5.193 1.00 64.43 N ATOM 302 CA ALA A 22 4.793 -15.107 6.083 1.00 74.20 C ATOM 303 C ALA A 22 6.161 -15.297 5.425 1.00 23.13 C ATOM 304 O ALA A 22 7.161 -15.258 6.140 1.00 41.11 O ATOM 305 CB ALA A 22 4.391 -16.403 6.775 1.00 54.32 C ATOM 0 H ALA A 22 3.453 -15.412 4.508 1.00 64.43 H new ATOM 0 HA ALA A 22 4.927 -14.278 6.778 1.00 74.20 H new ATOM 0 HB1 ALA A 22 5.191 -16.722 7.443 1.00 54.32 H new ATOM 0 HB2 ALA A 22 3.480 -16.241 7.351 1.00 54.32 H new ATOM 0 HB3 ALA A 22 4.214 -17.175 6.027 1.00 54.32 H new ATOM 311 N ARG A 23 6.244 -15.509 4.108 1.00 62.12 N ATOM 312 CA ARG A 23 7.519 -15.538 3.375 1.00 1.42 C ATOM 313 C ARG A 23 7.400 -14.616 2.172 1.00 12.23 C ATOM 314 O ARG A 23 7.739 -14.938 1.034 1.00 3.25 O ATOM 315 CB ARG A 23 7.957 -16.980 3.048 1.00 52.10 C ATOM 316 CG ARG A 23 8.526 -17.698 4.286 1.00 72.13 C ATOM 317 CD ARG A 23 9.919 -17.172 4.679 1.00 74.34 C ATOM 318 NE ARG A 23 10.303 -17.600 6.034 1.00 32.04 N ATOM 319 CZ ARG A 23 11.540 -17.634 6.545 1.00 13.22 C ATOM 320 NH1 ARG A 23 12.616 -17.409 5.800 1.00 71.33 N ATOM 321 NH2 ARG A 23 11.691 -17.919 7.830 1.00 71.42 N ATOM 0 H ARG A 23 5.428 -15.666 3.516 1.00 62.12 H new ATOM 0 HA ARG A 23 8.331 -15.159 3.995 1.00 1.42 H new ATOM 0 HB2 ARG A 23 7.105 -17.540 2.662 1.00 52.10 H new ATOM 0 HB3 ARG A 23 8.710 -16.962 2.260 1.00 52.10 H new ATOM 0 HG2 ARG A 23 7.842 -17.569 5.124 1.00 72.13 H new ATOM 0 HG3 ARG A 23 8.587 -18.768 4.086 1.00 72.13 H new ATOM 0 HD2 ARG A 23 10.658 -17.529 3.962 1.00 74.34 H new ATOM 0 HD3 ARG A 23 9.924 -16.083 4.627 1.00 74.34 H new ATOM 0 HE ARG A 23 9.547 -17.903 6.648 1.00 32.04 H new ATOM 0 HH11 ARG A 23 12.514 -17.203 4.806 1.00 71.33 H new ATOM 0 HH12 ARG A 23 13.544 -17.443 6.221 1.00 71.33 H new ATOM 0 HH21 ARG A 23 10.873 -18.107 8.410 1.00 71.42 H new ATOM 0 HH22 ARG A 23 12.625 -17.950 8.239 1.00 71.42 H new ATOM 332 N ILE A 24 6.829 -13.452 2.434 1.00 11.13 N ATOM 333 CA ILE A 24 6.694 -12.382 1.478 1.00 41.14 C ATOM 334 C ILE A 24 8.099 -11.813 1.202 1.00 1.41 C ATOM 335 O ILE A 24 8.927 -11.711 2.118 1.00 2.35 O ATOM 336 CB ILE A 24 5.650 -11.400 2.047 1.00 40.34 C ATOM 337 CG1 ILE A 24 5.424 -10.266 1.049 1.00 23.22 C ATOM 338 CG2 ILE A 24 6.018 -10.894 3.450 1.00 55.23 C ATOM 339 CD1 ILE A 24 4.260 -9.356 1.401 1.00 52.22 C ATOM 0 H ILE A 24 6.437 -13.226 3.348 1.00 11.13 H new ATOM 0 HA ILE A 24 6.318 -12.684 0.501 1.00 41.14 H new ATOM 0 HB ILE A 24 4.709 -11.933 2.181 1.00 40.34 H new ATOM 0 HG12 ILE A 24 6.333 -9.668 0.983 1.00 23.22 H new ATOM 0 HG13 ILE A 24 5.252 -10.694 0.061 1.00 23.22 H new ATOM 0 HG21 ILE A 24 5.249 -10.206 3.802 1.00 55.23 H new ATOM 0 HG22 ILE A 24 6.090 -11.739 4.134 1.00 55.23 H new ATOM 0 HG23 ILE A 24 6.977 -10.377 3.410 1.00 55.23 H new ATOM 0 HD11 ILE A 24 4.165 -8.577 0.644 1.00 52.22 H new ATOM 0 HD12 ILE A 24 3.340 -9.940 1.438 1.00 52.22 H new ATOM 0 HD13 ILE A 24 4.438 -8.897 2.374 1.00 52.22 H new ATOM 350 N ARG A 25 8.392 -11.469 -0.052 1.00 13.55 N ATOM 351 CA ARG A 25 9.575 -10.702 -0.440 1.00 54.30 C ATOM 352 C ARG A 25 9.211 -9.219 -0.449 1.00 64.13 C ATOM 353 O ARG A 25 8.032 -8.900 -0.584 1.00 72.13 O ATOM 354 CB ARG A 25 10.041 -11.148 -1.842 1.00 42.30 C ATOM 355 CG ARG A 25 11.254 -12.093 -1.801 1.00 13.22 C ATOM 356 CD ARG A 25 12.205 -11.829 -2.974 1.00 24.12 C ATOM 357 NE ARG A 25 11.640 -12.228 -4.268 1.00 72.11 N ATOM 358 CZ ARG A 25 12.325 -12.435 -5.398 1.00 22.01 C ATOM 359 NH1 ARG A 25 13.599 -12.071 -5.530 1.00 4.25 N ATOM 360 NH2 ARG A 25 11.725 -13.012 -6.422 1.00 4.25 N ATOM 0 H ARG A 25 7.800 -11.722 -0.844 1.00 13.55 H new ATOM 0 HA ARG A 25 10.387 -10.874 0.267 1.00 54.30 H new ATOM 0 HB2 ARG A 25 9.216 -11.647 -2.351 1.00 42.30 H new ATOM 0 HB3 ARG A 25 10.294 -10.267 -2.432 1.00 42.30 H new ATOM 0 HG2 ARG A 25 11.788 -11.962 -0.860 1.00 13.22 H new ATOM 0 HG3 ARG A 25 10.913 -13.128 -1.832 1.00 13.22 H new ATOM 0 HD2 ARG A 25 12.452 -10.768 -3.003 1.00 24.12 H new ATOM 0 HD3 ARG A 25 13.137 -12.369 -2.808 1.00 24.12 H new ATOM 0 HE ARG A 25 10.629 -12.360 -4.310 1.00 72.11 H new ATOM 0 HH11 ARG A 25 14.083 -11.619 -4.754 1.00 4.25 H new ATOM 0 HH12 ARG A 25 14.091 -12.244 -6.407 1.00 4.25 H new ATOM 0 HH21 ARG A 25 10.748 -13.295 -6.347 1.00 4.25 H new ATOM 0 HH22 ARG A 25 12.238 -13.175 -7.288 1.00 4.25 H new ATOM 371 N PRO A 26 10.181 -8.287 -0.411 1.00 4.14 N ATOM 372 CA PRO A 26 9.883 -6.880 -0.657 1.00 4.35 C ATOM 373 C PRO A 26 9.276 -6.706 -2.057 1.00 22.45 C ATOM 374 O PRO A 26 8.329 -5.940 -2.221 1.00 41.10 O ATOM 375 CB PRO A 26 11.208 -6.133 -0.476 1.00 1.23 C ATOM 376 CG PRO A 26 12.270 -7.200 -0.738 1.00 31.14 C ATOM 377 CD PRO A 26 11.611 -8.491 -0.247 1.00 62.24 C ATOM 0 HA PRO A 26 9.140 -6.479 0.032 1.00 4.35 H new ATOM 0 HB2 PRO A 26 11.296 -5.301 -1.175 1.00 1.23 H new ATOM 0 HB3 PRO A 26 11.298 -5.717 0.528 1.00 1.23 H new ATOM 0 HG2 PRO A 26 12.528 -7.258 -1.796 1.00 31.14 H new ATOM 0 HG3 PRO A 26 13.192 -6.989 -0.196 1.00 31.14 H new ATOM 0 HD2 PRO A 26 11.953 -9.350 -0.824 1.00 62.24 H new ATOM 0 HD3 PRO A 26 11.862 -8.687 0.795 1.00 62.24 H new ATOM 382 N ARG A 27 9.759 -7.471 -3.046 1.00 42.30 N ATOM 383 CA ARG A 27 9.237 -7.433 -4.403 1.00 64.11 C ATOM 384 C ARG A 27 7.752 -7.757 -4.486 1.00 75.01 C ATOM 385 O ARG A 27 7.093 -7.181 -5.344 1.00 15.51 O ATOM 386 CB ARG A 27 10.074 -8.278 -5.367 1.00 54.32 C ATOM 387 CG ARG A 27 9.545 -8.001 -6.782 1.00 22.31 C ATOM 388 CD ARG A 27 10.522 -8.311 -7.909 1.00 64.40 C ATOM 389 NE ARG A 27 11.577 -7.279 -7.979 1.00 15.32 N ATOM 390 CZ ARG A 27 11.413 -6.009 -8.377 1.00 55.12 C ATOM 391 NH1 ARG A 27 10.295 -5.582 -8.944 1.00 61.22 N ATOM 392 NH2 ARG A 27 12.368 -5.113 -8.202 1.00 52.54 N ATOM 0 H ARG A 27 10.525 -8.133 -2.918 1.00 42.30 H new ATOM 0 HA ARG A 27 9.329 -6.397 -4.729 1.00 64.11 H new ATOM 0 HB2 ARG A 27 11.130 -8.017 -5.292 1.00 54.32 H new ATOM 0 HB3 ARG A 27 9.990 -9.337 -5.124 1.00 54.32 H new ATOM 0 HG2 ARG A 27 8.639 -8.587 -6.936 1.00 22.31 H new ATOM 0 HG3 ARG A 27 9.260 -6.951 -6.848 1.00 22.31 H new ATOM 0 HD2 ARG A 27 10.973 -9.290 -7.748 1.00 64.40 H new ATOM 0 HD3 ARG A 27 9.988 -8.358 -8.858 1.00 64.40 H new ATOM 0 HE ARG A 27 12.517 -7.558 -7.699 1.00 15.32 H new ATOM 0 HH11 ARG A 27 9.519 -6.228 -9.092 1.00 61.22 H new ATOM 0 HH12 ARG A 27 10.210 -4.607 -9.233 1.00 61.22 H new ATOM 0 HH21 ARG A 27 13.246 -5.383 -7.758 1.00 52.54 H new ATOM 0 HH22 ARG A 27 12.227 -4.151 -8.510 1.00 52.54 H new ATOM 403 N ASP A 28 7.195 -8.606 -3.621 1.00 62.00 N ATOM 404 CA ASP A 28 5.817 -9.058 -3.804 1.00 2.51 C ATOM 405 C ASP A 28 4.862 -7.866 -3.756 1.00 41.31 C ATOM 406 O ASP A 28 3.883 -7.828 -4.501 1.00 72.34 O ATOM 407 CB ASP A 28 5.432 -10.065 -2.699 1.00 61.30 C ATOM 408 CG ASP A 28 6.046 -11.464 -2.855 1.00 20.05 C ATOM 409 OD1 ASP A 28 6.411 -11.830 -3.992 1.00 34.34 O ATOM 410 OD2 ASP A 28 6.178 -12.202 -1.843 1.00 42.54 O ATOM 0 H ASP A 28 7.667 -8.988 -2.802 1.00 62.00 H new ATOM 0 HA ASP A 28 5.741 -9.545 -4.776 1.00 2.51 H new ATOM 0 HB2 ASP A 28 5.735 -9.657 -1.735 1.00 61.30 H new ATOM 0 HB3 ASP A 28 4.346 -10.161 -2.678 1.00 61.30 H new ATOM 414 N LEU A 29 5.180 -6.873 -2.919 1.00 63.02 N ATOM 415 CA LEU A 29 4.386 -5.668 -2.736 1.00 72.42 C ATOM 416 C LEU A 29 4.444 -4.761 -3.957 1.00 61.20 C ATOM 417 O LEU A 29 3.477 -4.051 -4.217 1.00 4.33 O ATOM 418 CB LEU A 29 4.889 -4.866 -1.521 1.00 52.32 C ATOM 419 CG LEU A 29 4.749 -5.508 -0.131 1.00 62.02 C ATOM 420 CD1 LEU A 29 3.379 -6.152 0.082 1.00 4.23 C ATOM 421 CD2 LEU A 29 5.849 -6.524 0.186 1.00 2.42 C ATOM 0 H LEU A 29 6.019 -6.892 -2.339 1.00 63.02 H new ATOM 0 HA LEU A 29 3.358 -5.993 -2.579 1.00 72.42 H new ATOM 0 HB2 LEU A 29 5.943 -4.641 -1.681 1.00 52.32 H new ATOM 0 HB3 LEU A 29 4.359 -3.914 -1.505 1.00 52.32 H new ATOM 0 HG LEU A 29 4.857 -4.676 0.564 1.00 62.02 H new ATOM 0 HD11 LEU A 29 3.334 -6.590 1.079 1.00 4.23 H new ATOM 0 HD12 LEU A 29 2.602 -5.394 -0.017 1.00 4.23 H new ATOM 0 HD13 LEU A 29 3.223 -6.931 -0.664 1.00 4.23 H new ATOM 0 HD21 LEU A 29 5.687 -6.937 1.182 1.00 2.42 H new ATOM 0 HD22 LEU A 29 5.824 -7.329 -0.549 1.00 2.42 H new ATOM 0 HD23 LEU A 29 6.821 -6.031 0.151 1.00 2.42 H new ATOM 432 N GLU A 30 5.572 -4.745 -4.675 1.00 64.01 N ATOM 433 CA GLU A 30 5.794 -3.867 -5.802 1.00 53.22 C ATOM 434 C GLU A 30 5.598 -4.575 -7.145 1.00 31.14 C ATOM 435 O GLU A 30 5.591 -3.885 -8.168 1.00 34.05 O ATOM 436 CB GLU A 30 7.162 -3.179 -5.702 1.00 41.23 C ATOM 437 CG GLU A 30 8.342 -4.155 -5.599 1.00 43.22 C ATOM 438 CD GLU A 30 9.721 -3.508 -5.805 1.00 20.01 C ATOM 439 OE1 GLU A 30 9.861 -2.589 -6.646 1.00 0.42 O ATOM 440 OE2 GLU A 30 10.708 -3.927 -5.151 1.00 61.04 O ATOM 0 H GLU A 30 6.363 -5.357 -4.476 1.00 64.01 H new ATOM 0 HA GLU A 30 5.031 -3.090 -5.761 1.00 53.22 H new ATOM 0 HB2 GLU A 30 7.303 -2.544 -6.577 1.00 41.23 H new ATOM 0 HB3 GLU A 30 7.166 -2.525 -4.830 1.00 41.23 H new ATOM 0 HG2 GLU A 30 8.320 -4.630 -4.618 1.00 43.22 H new ATOM 0 HG3 GLU A 30 8.210 -4.944 -6.339 1.00 43.22 H new ATOM 445 N GLU A 31 5.410 -5.897 -7.180 1.00 64.22 N ATOM 446 CA GLU A 31 5.057 -6.591 -8.415 1.00 74.00 C ATOM 447 C GLU A 31 3.531 -6.553 -8.578 1.00 3.23 C ATOM 448 O GLU A 31 3.042 -6.352 -9.687 1.00 52.22 O ATOM 449 CB GLU A 31 5.691 -8.004 -8.491 1.00 72.30 C ATOM 450 CG GLU A 31 4.903 -9.248 -8.084 1.00 72.42 C ATOM 451 CD GLU A 31 4.154 -9.859 -9.280 1.00 20.03 C ATOM 452 OE1 GLU A 31 3.124 -9.280 -9.702 1.00 13.43 O ATOM 453 OE2 GLU A 31 4.551 -10.949 -9.741 1.00 13.24 O ATOM 0 H GLU A 31 5.497 -6.505 -6.366 1.00 64.22 H new ATOM 0 HA GLU A 31 5.485 -6.078 -9.276 1.00 74.00 H new ATOM 0 HB2 GLU A 31 6.012 -8.154 -9.522 1.00 72.30 H new ATOM 0 HB3 GLU A 31 6.591 -7.982 -7.877 1.00 72.30 H new ATOM 0 HG2 GLU A 31 5.583 -9.989 -7.663 1.00 72.42 H new ATOM 0 HG3 GLU A 31 4.190 -8.988 -7.301 1.00 72.42 H new ATOM 458 N PHE A 32 2.768 -6.673 -7.481 1.00 55.42 N ATOM 459 CA PHE A 32 1.303 -6.771 -7.515 1.00 51.33 C ATOM 460 C PHE A 32 0.660 -5.623 -8.298 1.00 34.24 C ATOM 461 O PHE A 32 -0.254 -5.856 -9.095 1.00 44.43 O ATOM 462 CB PHE A 32 0.771 -6.924 -6.080 1.00 54.40 C ATOM 463 CG PHE A 32 -0.681 -7.359 -5.908 1.00 55.44 C ATOM 464 CD1 PHE A 32 -1.395 -7.984 -6.951 1.00 21.34 C ATOM 465 CD2 PHE A 32 -1.305 -7.205 -4.654 1.00 12.51 C ATOM 466 CE1 PHE A 32 -2.707 -8.430 -6.749 1.00 63.33 C ATOM 467 CE2 PHE A 32 -2.623 -7.651 -4.451 1.00 64.23 C ATOM 468 CZ PHE A 32 -3.329 -8.264 -5.499 1.00 73.10 C ATOM 0 H PHE A 32 3.155 -6.705 -6.538 1.00 55.42 H new ATOM 0 HA PHE A 32 1.014 -7.664 -8.069 1.00 51.33 H new ATOM 0 HB2 PHE A 32 1.402 -7.647 -5.563 1.00 54.40 H new ATOM 0 HB3 PHE A 32 0.898 -5.969 -5.571 1.00 54.40 H new ATOM 0 HD1 PHE A 32 -0.926 -8.120 -7.914 1.00 21.34 H new ATOM 0 HD2 PHE A 32 -0.766 -6.740 -3.842 1.00 12.51 H new ATOM 0 HE1 PHE A 32 -3.244 -8.904 -7.557 1.00 63.33 H new ATOM 0 HE2 PHE A 32 -3.093 -7.522 -3.487 1.00 64.23 H new ATOM 0 HZ PHE A 32 -4.342 -8.605 -5.346 1.00 73.10 H new ATOM 477 N PHE A 33 1.192 -4.408 -8.158 1.00 11.31 N ATOM 478 CA PHE A 33 0.658 -3.223 -8.809 1.00 34.32 C ATOM 479 C PHE A 33 1.543 -2.749 -9.974 1.00 0.43 C ATOM 480 O PHE A 33 1.186 -1.763 -10.617 1.00 14.13 O ATOM 481 CB PHE A 33 0.345 -2.143 -7.754 1.00 32.32 C ATOM 482 CG PHE A 33 -0.234 -2.681 -6.457 1.00 54.13 C ATOM 483 CD1 PHE A 33 -1.468 -3.359 -6.466 1.00 64.11 C ATOM 484 CD2 PHE A 33 0.499 -2.577 -5.257 1.00 4.15 C ATOM 485 CE1 PHE A 33 -1.966 -3.933 -5.286 1.00 75.43 C ATOM 486 CE2 PHE A 33 0.000 -3.148 -4.075 1.00 20.12 C ATOM 487 CZ PHE A 33 -1.228 -3.832 -4.095 1.00 32.21 C ATOM 0 H PHE A 33 2.014 -4.223 -7.583 1.00 11.31 H new ATOM 0 HA PHE A 33 -0.289 -3.471 -9.288 1.00 34.32 H new ATOM 0 HB2 PHE A 33 1.261 -1.596 -7.529 1.00 32.32 H new ATOM 0 HB3 PHE A 33 -0.357 -1.427 -8.182 1.00 32.32 H new ATOM 0 HD1 PHE A 33 -2.033 -3.438 -7.383 1.00 64.11 H new ATOM 0 HD2 PHE A 33 1.446 -2.057 -5.247 1.00 4.15 H new ATOM 0 HE1 PHE A 33 -2.914 -4.451 -5.294 1.00 75.43 H new ATOM 0 HE2 PHE A 33 0.558 -3.062 -3.154 1.00 20.12 H new ATOM 0 HZ PHE A 33 -1.606 -4.283 -3.189 1.00 32.21 H new ATOM 496 N SER A 34 2.649 -3.442 -10.318 1.00 4.04 N ATOM 497 CA SER A 34 3.397 -3.137 -11.546 1.00 40.11 C ATOM 498 C SER A 34 2.673 -3.633 -12.798 1.00 73.31 C ATOM 499 O SER A 34 3.025 -3.279 -13.927 1.00 3.45 O ATOM 500 CB SER A 34 4.828 -3.671 -11.505 1.00 15.24 C ATOM 501 OG SER A 34 4.950 -5.077 -11.536 1.00 62.43 O ATOM 0 H SER A 34 3.037 -4.207 -9.767 1.00 4.04 H new ATOM 0 HA SER A 34 3.454 -2.050 -11.600 1.00 40.11 H new ATOM 0 HB2 SER A 34 5.377 -3.257 -12.351 1.00 15.24 H new ATOM 0 HB3 SER A 34 5.310 -3.301 -10.600 1.00 15.24 H new ATOM 0 HG SER A 34 4.275 -5.477 -10.949 1.00 62.43 H new ATOM 506 N THR A 35 1.634 -4.432 -12.580 1.00 55.13 N ATOM 507 CA THR A 35 0.618 -4.806 -13.532 1.00 71.24 C ATOM 508 C THR A 35 0.153 -3.569 -14.306 1.00 21.23 C ATOM 509 O THR A 35 0.180 -3.576 -15.536 1.00 1.02 O ATOM 510 CB THR A 35 -0.502 -5.510 -12.735 1.00 3.44 C ATOM 511 OG1 THR A 35 -0.830 -4.798 -11.544 1.00 41.50 O ATOM 512 CG2 THR A 35 -0.047 -6.912 -12.317 1.00 21.21 C ATOM 0 H THR A 35 1.477 -4.860 -11.667 1.00 55.13 H new ATOM 0 HA THR A 35 0.985 -5.497 -14.291 1.00 71.24 H new ATOM 0 HB THR A 35 -1.374 -5.554 -13.387 1.00 3.44 H new ATOM 0 HG1 THR A 35 -0.674 -5.373 -10.766 1.00 41.50 H new ATOM 0 HG21 THR A 35 -0.843 -7.401 -11.756 1.00 21.21 H new ATOM 0 HG22 THR A 35 0.184 -7.500 -13.206 1.00 21.21 H new ATOM 0 HG23 THR A 35 0.843 -6.835 -11.692 1.00 21.21 H new ATOM 520 N VAL A 36 -0.227 -2.506 -13.595 1.00 54.03 N ATOM 521 CA VAL A 36 -0.859 -1.306 -14.131 1.00 15.41 C ATOM 522 C VAL A 36 -0.526 -0.126 -13.198 1.00 14.22 C ATOM 523 O VAL A 36 -1.409 0.534 -12.639 1.00 43.41 O ATOM 524 CB VAL A 36 -2.379 -1.552 -14.326 1.00 20.23 C ATOM 525 CG1 VAL A 36 -2.706 -2.272 -15.643 1.00 32.22 C ATOM 526 CG2 VAL A 36 -3.005 -2.347 -13.175 1.00 41.30 C ATOM 0 H VAL A 36 -0.095 -2.459 -12.585 1.00 54.03 H new ATOM 0 HA VAL A 36 -0.474 -1.055 -15.119 1.00 15.41 H new ATOM 0 HB VAL A 36 -2.811 -0.552 -14.349 1.00 20.23 H new ATOM 0 HG11 VAL A 36 -3.784 -2.415 -15.722 1.00 32.22 H new ATOM 0 HG12 VAL A 36 -2.358 -1.671 -16.483 1.00 32.22 H new ATOM 0 HG13 VAL A 36 -2.209 -3.242 -15.661 1.00 32.22 H new ATOM 0 HG21 VAL A 36 -4.069 -2.488 -13.367 1.00 41.30 H new ATOM 0 HG22 VAL A 36 -2.518 -3.319 -13.097 1.00 41.30 H new ATOM 0 HG23 VAL A 36 -2.874 -1.800 -12.241 1.00 41.30 H new ATOM 536 N GLY A 37 0.768 0.131 -12.988 1.00 41.22 N ATOM 537 CA GLY A 37 1.200 1.178 -12.079 1.00 41.00 C ATOM 538 C GLY A 37 2.711 1.210 -11.860 1.00 73.42 C ATOM 539 O GLY A 37 3.429 0.244 -12.134 1.00 41.00 O ATOM 0 H GLY A 37 1.530 -0.376 -13.439 1.00 41.22 H new ATOM 0 HA2 GLY A 37 0.877 2.143 -12.469 1.00 41.00 H new ATOM 0 HA3 GLY A 37 0.704 1.041 -11.118 1.00 41.00 H new ATOM 543 N LYS A 38 3.210 2.319 -11.308 1.00 23.45 N ATOM 544 CA LYS A 38 4.606 2.508 -10.939 1.00 21.45 C ATOM 545 C LYS A 38 4.696 2.864 -9.465 1.00 21.45 C ATOM 546 O LYS A 38 4.033 3.778 -8.970 1.00 75.20 O ATOM 547 CB LYS A 38 5.257 3.576 -11.821 1.00 32.21 C ATOM 548 CG LYS A 38 6.738 3.769 -11.458 1.00 51.24 C ATOM 549 CD LYS A 38 7.416 4.789 -12.381 1.00 52.32 C ATOM 550 CE LYS A 38 8.452 4.126 -13.299 1.00 71.51 C ATOM 551 NZ LYS A 38 9.741 3.890 -12.609 1.00 22.43 N ATOM 0 H LYS A 38 2.631 3.133 -11.101 1.00 23.45 H new ATOM 0 HA LYS A 38 5.154 1.580 -11.102 1.00 21.45 H new ATOM 0 HB2 LYS A 38 5.171 3.288 -12.869 1.00 32.21 H new ATOM 0 HB3 LYS A 38 4.725 4.521 -11.705 1.00 32.21 H new ATOM 0 HG2 LYS A 38 6.819 4.103 -10.424 1.00 51.24 H new ATOM 0 HG3 LYS A 38 7.258 2.813 -11.526 1.00 51.24 H new ATOM 0 HD2 LYS A 38 6.661 5.289 -12.987 1.00 52.32 H new ATOM 0 HD3 LYS A 38 7.902 5.557 -11.779 1.00 52.32 H new ATOM 0 HE2 LYS A 38 8.058 3.177 -13.663 1.00 71.51 H new ATOM 0 HE3 LYS A 38 8.619 4.758 -14.171 1.00 71.51 H new ATOM 0 HZ1 LYS A 38 10.410 3.441 -13.267 1.00 22.43 H new ATOM 0 HZ2 LYS A 38 10.132 4.797 -12.284 1.00 22.43 H new ATOM 0 HZ3 LYS A 38 9.588 3.266 -11.791 1.00 22.43 H new ATOM 561 N VAL A 39 5.582 2.155 -8.788 1.00 73.42 N ATOM 562 CA VAL A 39 5.878 2.310 -7.376 1.00 13.44 C ATOM 563 C VAL A 39 6.973 3.361 -7.241 1.00 62.12 C ATOM 564 O VAL A 39 7.907 3.411 -8.047 1.00 2.43 O ATOM 565 CB VAL A 39 6.275 0.926 -6.844 1.00 54.42 C ATOM 566 CG1 VAL A 39 6.907 0.939 -5.463 1.00 2.15 C ATOM 567 CG2 VAL A 39 5.019 0.058 -6.740 1.00 31.54 C ATOM 0 H VAL A 39 6.139 1.423 -9.228 1.00 73.42 H new ATOM 0 HA VAL A 39 5.030 2.659 -6.786 1.00 13.44 H new ATOM 0 HB VAL A 39 7.015 0.543 -7.547 1.00 54.42 H new ATOM 0 HG11 VAL A 39 7.155 -0.080 -5.167 1.00 2.15 H new ATOM 0 HG12 VAL A 39 7.815 1.542 -5.484 1.00 2.15 H new ATOM 0 HG13 VAL A 39 6.205 1.364 -4.746 1.00 2.15 H new ATOM 0 HG21 VAL A 39 5.289 -0.928 -6.363 1.00 31.54 H new ATOM 0 HG22 VAL A 39 4.309 0.526 -6.058 1.00 31.54 H new ATOM 0 HG23 VAL A 39 4.563 -0.042 -7.725 1.00 31.54 H new ATOM 577 N ARG A 40 6.845 4.240 -6.247 1.00 51.01 N ATOM 578 CA ARG A 40 7.846 5.253 -5.950 1.00 4.12 C ATOM 579 C ARG A 40 9.008 4.586 -5.225 1.00 32.31 C ATOM 580 O ARG A 40 10.150 4.764 -5.643 1.00 23.13 O ATOM 581 CB ARG A 40 7.215 6.416 -5.172 1.00 34.12 C ATOM 582 CG ARG A 40 8.292 7.435 -4.792 1.00 55.44 C ATOM 583 CD ARG A 40 7.676 8.756 -4.362 1.00 43.44 C ATOM 584 NE ARG A 40 8.726 9.780 -4.285 1.00 51.13 N ATOM 585 CZ ARG A 40 9.192 10.438 -3.221 1.00 22.12 C ATOM 586 NH1 ARG A 40 8.600 10.368 -2.033 1.00 20.31 N ATOM 587 NH2 ARG A 40 10.283 11.172 -3.380 1.00 54.12 N ATOM 0 H ARG A 40 6.038 4.266 -5.624 1.00 51.01 H new ATOM 0 HA ARG A 40 8.241 5.695 -6.865 1.00 4.12 H new ATOM 0 HB2 ARG A 40 6.446 6.895 -5.778 1.00 34.12 H new ATOM 0 HB3 ARG A 40 6.725 6.040 -4.274 1.00 34.12 H new ATOM 0 HG2 ARG A 40 8.904 7.036 -3.983 1.00 55.44 H new ATOM 0 HG3 ARG A 40 8.955 7.600 -5.641 1.00 55.44 H new ATOM 0 HD2 ARG A 40 6.907 9.060 -5.072 1.00 43.44 H new ATOM 0 HD3 ARG A 40 7.189 8.645 -3.393 1.00 43.44 H new ATOM 0 HE ARG A 40 9.163 10.024 -5.174 1.00 51.13 H new ATOM 0 HH11 ARG A 40 7.763 9.798 -1.913 1.00 20.31 H new ATOM 0 HH12 ARG A 40 8.983 10.884 -1.241 1.00 20.31 H new ATOM 0 HH21 ARG A 40 10.737 11.220 -4.292 1.00 54.12 H new ATOM 0 HH22 ARG A 40 10.669 11.689 -2.590 1.00 54.12 H new ATOM 598 N ASP A 41 8.731 3.841 -4.160 1.00 34.42 N ATOM 599 CA ASP A 41 9.677 3.000 -3.423 1.00 21.21 C ATOM 600 C ASP A 41 8.859 2.011 -2.581 1.00 14.13 C ATOM 601 O ASP A 41 7.643 1.951 -2.749 1.00 55.04 O ATOM 602 CB ASP A 41 10.585 3.861 -2.536 1.00 31.13 C ATOM 603 CG ASP A 41 11.978 3.251 -2.351 1.00 52.01 C ATOM 604 OD1 ASP A 41 12.156 2.011 -2.453 1.00 4.34 O ATOM 605 OD2 ASP A 41 12.923 4.037 -2.100 1.00 43.33 O ATOM 0 H ASP A 41 7.792 3.803 -3.764 1.00 34.42 H new ATOM 0 HA ASP A 41 10.325 2.458 -4.112 1.00 21.21 H new ATOM 0 HB2 ASP A 41 10.683 4.853 -2.977 1.00 31.13 H new ATOM 0 HB3 ASP A 41 10.117 3.990 -1.560 1.00 31.13 H new ATOM 609 N VAL A 42 9.476 1.221 -1.699 1.00 52.23 N ATOM 610 CA VAL A 42 8.755 0.221 -0.914 1.00 41.04 C ATOM 611 C VAL A 42 9.147 0.315 0.560 1.00 33.53 C ATOM 612 O VAL A 42 10.131 -0.296 1.002 1.00 71.01 O ATOM 613 CB VAL A 42 8.939 -1.196 -1.500 1.00 71.14 C ATOM 614 CG1 VAL A 42 7.885 -2.133 -0.903 1.00 0.24 C ATOM 615 CG2 VAL A 42 8.783 -1.266 -3.020 1.00 51.11 C ATOM 0 H VAL A 42 10.478 1.256 -1.511 1.00 52.23 H new ATOM 0 HA VAL A 42 7.687 0.432 -0.973 1.00 41.04 H new ATOM 0 HB VAL A 42 9.959 -1.487 -1.248 1.00 71.14 H new ATOM 0 HG11 VAL A 42 8.013 -3.134 -1.315 1.00 0.24 H new ATOM 0 HG12 VAL A 42 8.002 -2.169 0.180 1.00 0.24 H new ATOM 0 HG13 VAL A 42 6.889 -1.764 -1.149 1.00 0.24 H new ATOM 0 HG21 VAL A 42 8.927 -2.294 -3.354 1.00 51.11 H new ATOM 0 HG22 VAL A 42 7.784 -0.930 -3.299 1.00 51.11 H new ATOM 0 HG23 VAL A 42 9.527 -0.624 -3.492 1.00 51.11 H new ATOM 625 N ARG A 43 8.377 1.065 1.347 1.00 72.13 N ATOM 626 CA ARG A 43 8.417 0.971 2.804 1.00 73.41 C ATOM 627 C ARG A 43 7.863 -0.386 3.277 1.00 42.42 C ATOM 628 O ARG A 43 7.182 -1.113 2.547 1.00 35.32 O ATOM 629 CB ARG A 43 7.632 2.163 3.402 1.00 42.20 C ATOM 630 CG ARG A 43 8.419 3.040 4.390 1.00 40.30 C ATOM 631 CD ARG A 43 9.681 3.704 3.809 1.00 52.02 C ATOM 632 NE ARG A 43 10.915 3.020 4.235 1.00 1.12 N ATOM 633 CZ ARG A 43 12.160 3.516 4.243 1.00 34.45 C ATOM 634 NH1 ARG A 43 12.427 4.737 3.798 1.00 63.53 N ATOM 635 NH2 ARG A 43 13.158 2.785 4.727 1.00 60.13 N ATOM 0 H ARG A 43 7.711 1.752 0.994 1.00 72.13 H new ATOM 0 HA ARG A 43 9.448 1.025 3.154 1.00 73.41 H new ATOM 0 HB2 ARG A 43 7.280 2.792 2.584 1.00 42.20 H new ATOM 0 HB3 ARG A 43 6.748 1.776 3.909 1.00 42.20 H new ATOM 0 HG2 ARG A 43 7.757 3.820 4.767 1.00 40.30 H new ATOM 0 HG3 ARG A 43 8.709 2.428 5.244 1.00 40.30 H new ATOM 0 HD2 ARG A 43 9.623 3.701 2.721 1.00 52.02 H new ATOM 0 HD3 ARG A 43 9.718 4.747 4.123 1.00 52.02 H new ATOM 0 HE ARG A 43 10.809 2.059 4.561 1.00 1.12 H new ATOM 0 HH11 ARG A 43 11.675 5.324 3.438 1.00 63.53 H new ATOM 0 HH12 ARG A 43 13.384 5.088 3.816 1.00 63.53 H new ATOM 0 HH21 ARG A 43 12.975 1.850 5.091 1.00 60.13 H new ATOM 0 HH22 ARG A 43 14.107 3.159 4.735 1.00 60.13 H new ATOM 646 N MET A 44 8.155 -0.743 4.524 1.00 53.54 N ATOM 647 CA MET A 44 7.789 -1.954 5.204 1.00 54.13 C ATOM 648 C MET A 44 7.860 -1.630 6.695 1.00 74.33 C ATOM 649 O MET A 44 8.849 -1.040 7.134 1.00 12.53 O ATOM 650 CB MET A 44 8.834 -3.011 4.819 1.00 2.35 C ATOM 651 CG MET A 44 8.738 -4.195 5.773 1.00 23.23 C ATOM 652 SD MET A 44 9.316 -5.845 5.258 1.00 53.44 S ATOM 653 CE MET A 44 9.832 -5.624 3.531 1.00 64.31 C ATOM 0 H MET A 44 8.703 -0.129 5.127 1.00 53.54 H new ATOM 0 HA MET A 44 6.796 -2.325 4.949 1.00 54.13 H new ATOM 0 HB2 MET A 44 8.670 -3.343 3.794 1.00 2.35 H new ATOM 0 HB3 MET A 44 9.834 -2.579 4.858 1.00 2.35 H new ATOM 0 HG2 MET A 44 9.289 -3.928 6.675 1.00 23.23 H new ATOM 0 HG3 MET A 44 7.691 -4.295 6.058 1.00 23.23 H new ATOM 0 HE1 MET A 44 10.262 -6.553 3.158 1.00 64.31 H new ATOM 0 HE2 MET A 44 8.967 -5.356 2.924 1.00 64.31 H new ATOM 0 HE3 MET A 44 10.577 -4.830 3.472 1.00 64.31 H new ATOM 661 N ILE A 45 6.880 -2.054 7.498 1.00 34.42 N ATOM 662 CA ILE A 45 7.014 -1.948 8.945 1.00 43.31 C ATOM 663 C ILE A 45 7.977 -3.062 9.356 1.00 1.42 C ATOM 664 O ILE A 45 7.566 -4.227 9.429 1.00 51.21 O ATOM 665 CB ILE A 45 5.649 -1.999 9.667 1.00 53.40 C ATOM 666 CG1 ILE A 45 4.721 -0.840 9.248 1.00 20.35 C ATOM 667 CG2 ILE A 45 5.845 -1.882 11.185 1.00 13.41 C ATOM 668 CD1 ILE A 45 3.988 -1.117 7.937 1.00 41.44 C ATOM 0 H ILE A 45 6.004 -2.465 7.175 1.00 34.42 H new ATOM 0 HA ILE A 45 7.415 -0.979 9.243 1.00 43.31 H new ATOM 0 HB ILE A 45 5.196 -2.951 9.390 1.00 53.40 H new ATOM 0 HG12 ILE A 45 3.991 -0.661 10.037 1.00 20.35 H new ATOM 0 HG13 ILE A 45 5.309 0.072 9.145 1.00 20.35 H new ATOM 0 HG21 ILE A 45 4.875 -1.919 11.681 1.00 13.41 H new ATOM 0 HG22 ILE A 45 6.464 -2.707 11.537 1.00 13.41 H new ATOM 0 HG23 ILE A 45 6.335 -0.936 11.417 1.00 13.41 H new ATOM 0 HD11 ILE A 45 3.350 -0.269 7.691 1.00 41.44 H new ATOM 0 HD12 ILE A 45 4.715 -1.268 7.139 1.00 41.44 H new ATOM 0 HD13 ILE A 45 3.376 -2.012 8.045 1.00 41.44 H new ATOM 679 N SER A 46 9.244 -2.702 9.572 1.00 71.40 N ATOM 680 CA SER A 46 10.332 -3.594 9.945 1.00 71.11 C ATOM 681 C SER A 46 10.199 -4.058 11.406 1.00 14.23 C ATOM 682 O SER A 46 11.012 -3.756 12.287 1.00 11.55 O ATOM 683 CB SER A 46 11.671 -2.909 9.694 1.00 0.44 C ATOM 684 OG SER A 46 11.824 -2.388 8.380 1.00 41.30 O ATOM 0 H SER A 46 9.549 -1.732 9.486 1.00 71.40 H new ATOM 0 HA SER A 46 10.280 -4.488 9.324 1.00 71.11 H new ATOM 0 HB2 SER A 46 11.790 -2.096 10.411 1.00 0.44 H new ATOM 0 HB3 SER A 46 12.472 -3.623 9.885 1.00 0.44 H new ATOM 0 HG SER A 46 12.704 -1.964 8.297 1.00 41.30 H new ATOM 689 N ASP A 47 9.144 -4.829 11.624 1.00 61.21 N ATOM 690 CA ASP A 47 8.484 -5.239 12.842 1.00 55.10 C ATOM 691 C ASP A 47 8.153 -4.123 13.818 1.00 60.20 C ATOM 692 O ASP A 47 8.438 -2.937 13.616 1.00 11.25 O ATOM 693 CB ASP A 47 9.180 -6.443 13.457 1.00 35.15 C ATOM 694 CG ASP A 47 8.119 -7.414 13.960 1.00 73.11 C ATOM 695 OD1 ASP A 47 7.681 -8.235 13.119 1.00 51.33 O ATOM 696 OD2 ASP A 47 7.668 -7.306 15.130 1.00 0.32 O ATOM 0 H ASP A 47 8.665 -5.239 10.823 1.00 61.21 H new ATOM 0 HA ASP A 47 7.485 -5.564 12.550 1.00 55.10 H new ATOM 0 HB2 ASP A 47 9.818 -6.929 12.719 1.00 35.15 H new ATOM 0 HB3 ASP A 47 9.825 -6.129 14.278 1.00 35.15 H new ATOM 700 N ARG A 48 7.445 -4.523 14.867 1.00 2.54 N ATOM 701 CA ARG A 48 6.928 -3.652 15.881 1.00 31.15 C ATOM 702 C ARG A 48 7.844 -3.763 17.087 1.00 72.13 C ATOM 703 O ARG A 48 8.617 -2.852 17.346 1.00 60.22 O ATOM 704 CB ARG A 48 5.471 -4.021 16.155 1.00 41.30 C ATOM 705 CG ARG A 48 4.884 -2.890 16.991 1.00 44.43 C ATOM 706 CD ARG A 48 3.404 -3.111 17.282 1.00 20.04 C ATOM 707 NE ARG A 48 2.540 -2.184 16.533 1.00 51.11 N ATOM 708 CZ ARG A 48 2.312 -0.899 16.837 1.00 61.11 C ATOM 709 NH1 ARG A 48 2.947 -0.326 17.854 1.00 0.22 N ATOM 710 NH2 ARG A 48 1.440 -0.185 16.138 1.00 24.12 N ATOM 0 H ARG A 48 7.214 -5.503 15.028 1.00 2.54 H new ATOM 0 HA ARG A 48 6.916 -2.605 15.579 1.00 31.15 H new ATOM 0 HB2 ARG A 48 4.920 -4.140 15.222 1.00 41.30 H new ATOM 0 HB3 ARG A 48 5.405 -4.970 16.687 1.00 41.30 H new ATOM 0 HG2 ARG A 48 5.431 -2.810 17.930 1.00 44.43 H new ATOM 0 HG3 ARG A 48 5.014 -1.944 16.465 1.00 44.43 H new ATOM 0 HD2 ARG A 48 3.136 -4.137 17.030 1.00 20.04 H new ATOM 0 HD3 ARG A 48 3.224 -2.988 18.350 1.00 20.04 H new ATOM 0 HE ARG A 48 2.071 -2.554 15.706 1.00 51.11 H new ATOM 0 HH11 ARG A 48 3.612 -0.865 18.408 1.00 0.22 H new ATOM 0 HH12 ARG A 48 2.769 0.653 18.080 1.00 0.22 H new ATOM 0 HH21 ARG A 48 0.936 -0.613 15.361 1.00 24.12 H new ATOM 0 HH22 ARG A 48 1.273 0.792 16.377 1.00 24.12 H new ATOM 721 N ASN A 49 7.746 -4.860 17.832 1.00 3.12 N ATOM 722 CA ASN A 49 8.345 -5.025 19.150 1.00 20.44 C ATOM 723 C ASN A 49 8.890 -6.433 19.367 1.00 41.14 C ATOM 724 O ASN A 49 9.611 -6.656 20.337 1.00 14.11 O ATOM 725 CB ASN A 49 7.288 -4.750 20.231 1.00 32.21 C ATOM 726 CG ASN A 49 6.176 -5.795 20.221 1.00 51.33 C ATOM 727 OD1 ASN A 49 5.526 -5.991 19.196 1.00 14.21 O ATOM 728 ND2 ASN A 49 5.948 -6.497 21.315 1.00 4.12 N ATOM 0 H ASN A 49 7.231 -5.684 17.524 1.00 3.12 H new ATOM 0 HA ASN A 49 9.174 -4.320 19.216 1.00 20.44 H new ATOM 0 HB2 ASN A 49 7.766 -4.738 21.211 1.00 32.21 H new ATOM 0 HB3 ASN A 49 6.858 -3.761 20.074 1.00 32.21 H new ATOM 0 HD21 ASN A 49 5.223 -7.215 21.319 1.00 4.12 H new ATOM 0 HD22 ASN A 49 6.496 -6.322 22.157 1.00 4.12 H new ATOM 734 N SER A 50 8.580 -7.391 18.493 1.00 71.41 N ATOM 735 CA SER A 50 8.958 -8.783 18.702 1.00 51.20 C ATOM 736 C SER A 50 9.455 -9.354 17.381 1.00 3.54 C ATOM 737 O SER A 50 10.645 -9.265 17.082 1.00 33.13 O ATOM 738 CB SER A 50 7.739 -9.536 19.268 1.00 2.15 C ATOM 739 OG SER A 50 7.374 -9.031 20.529 1.00 3.35 O ATOM 0 H SER A 50 8.065 -7.223 17.629 1.00 71.41 H new ATOM 0 HA SER A 50 9.769 -8.885 19.423 1.00 51.20 H new ATOM 0 HB2 SER A 50 6.899 -9.445 18.579 1.00 2.15 H new ATOM 0 HB3 SER A 50 7.970 -10.598 19.351 1.00 2.15 H new ATOM 0 HG SER A 50 6.597 -9.524 20.866 1.00 3.35 H new ATOM 744 N ARG A 51 8.516 -9.844 16.576 1.00 61.00 N ATOM 745 CA ARG A 51 8.654 -10.426 15.244 1.00 60.11 C ATOM 746 C ARG A 51 7.239 -10.666 14.697 1.00 60.43 C ATOM 747 O ARG A 51 6.959 -11.681 14.062 1.00 2.55 O ATOM 748 CB ARG A 51 9.532 -11.691 15.278 1.00 54.34 C ATOM 749 CG ARG A 51 9.171 -12.659 16.405 1.00 72.41 C ATOM 750 CD ARG A 51 9.818 -14.027 16.175 1.00 43.14 C ATOM 751 NE ARG A 51 9.161 -14.785 15.103 1.00 15.52 N ATOM 752 CZ ARG A 51 7.920 -15.270 15.140 1.00 43.11 C ATOM 753 NH1 ARG A 51 7.192 -15.161 16.246 1.00 23.33 N ATOM 754 NH2 ARG A 51 7.407 -15.853 14.068 1.00 14.52 N ATOM 0 H ARG A 51 7.540 -9.843 16.871 1.00 61.00 H new ATOM 0 HA ARG A 51 9.175 -9.749 14.568 1.00 60.11 H new ATOM 0 HB2 ARG A 51 9.444 -12.210 14.323 1.00 54.34 H new ATOM 0 HB3 ARG A 51 10.576 -11.395 15.385 1.00 54.34 H new ATOM 0 HG2 ARG A 51 9.502 -12.251 17.360 1.00 72.41 H new ATOM 0 HG3 ARG A 51 8.088 -12.769 16.463 1.00 72.41 H new ATOM 0 HD2 ARG A 51 10.871 -13.891 15.927 1.00 43.14 H new ATOM 0 HD3 ARG A 51 9.780 -14.603 17.099 1.00 43.14 H new ATOM 0 HE ARG A 51 9.702 -14.956 14.255 1.00 15.52 H new ATOM 0 HH11 ARG A 51 7.582 -14.705 17.071 1.00 23.33 H new ATOM 0 HH12 ARG A 51 6.243 -15.533 16.270 1.00 23.33 H new ATOM 0 HH21 ARG A 51 7.961 -15.931 13.215 1.00 14.52 H new ATOM 0 HH22 ARG A 51 6.457 -16.225 14.095 1.00 14.52 H new ATOM 765 N ARG A 52 6.304 -9.780 15.063 1.00 73.34 N ATOM 766 CA ARG A 52 4.931 -9.736 14.628 1.00 74.44 C ATOM 767 C ARG A 52 4.523 -8.302 14.315 1.00 55.21 C ATOM 768 O ARG A 52 3.883 -7.656 15.144 1.00 51.32 O ATOM 769 CB ARG A 52 3.960 -10.477 15.538 1.00 42.13 C ATOM 770 CG ARG A 52 4.326 -10.560 17.006 1.00 41.42 C ATOM 771 CD ARG A 52 4.160 -9.210 17.708 1.00 63.22 C ATOM 772 NE ARG A 52 4.124 -9.294 19.184 1.00 53.13 N ATOM 773 CZ ARG A 52 3.465 -8.399 19.941 1.00 15.15 C ATOM 774 NH1 ARG A 52 2.882 -7.358 19.360 1.00 71.23 N ATOM 775 NH2 ARG A 52 3.368 -8.530 21.261 1.00 11.53 N ATOM 0 H ARG A 52 6.518 -9.028 15.718 1.00 73.34 H new ATOM 0 HA ARG A 52 4.867 -10.304 13.700 1.00 74.44 H new ATOM 0 HB2 ARG A 52 2.985 -9.996 15.458 1.00 42.13 H new ATOM 0 HB3 ARG A 52 3.847 -11.492 15.158 1.00 42.13 H new ATOM 0 HG2 ARG A 52 3.699 -11.305 17.496 1.00 41.42 H new ATOM 0 HG3 ARG A 52 5.358 -10.897 17.105 1.00 41.42 H new ATOM 0 HD2 ARG A 52 4.981 -8.556 17.413 1.00 63.22 H new ATOM 0 HD3 ARG A 52 3.239 -8.743 17.359 1.00 63.22 H new ATOM 0 HE ARG A 52 4.617 -10.059 19.645 1.00 53.13 H new ATOM 0 HH11 ARG A 52 2.936 -7.242 18.348 1.00 71.23 H new ATOM 0 HH12 ARG A 52 2.380 -6.674 19.925 1.00 71.23 H new ATOM 0 HH21 ARG A 52 3.801 -9.327 21.728 1.00 11.53 H new ATOM 0 HH22 ARG A 52 2.861 -7.833 21.807 1.00 11.53 H new ATOM 786 N SER A 53 4.836 -7.811 13.116 1.00 35.32 N ATOM 787 CA SER A 53 4.271 -6.564 12.606 1.00 41.54 C ATOM 788 C SER A 53 2.743 -6.617 12.539 1.00 73.11 C ATOM 789 O SER A 53 2.111 -5.561 12.595 1.00 4.45 O ATOM 790 CB SER A 53 4.848 -6.229 11.219 1.00 43.20 C ATOM 791 OG SER A 53 5.644 -5.066 11.280 1.00 22.11 O ATOM 0 H SER A 53 5.486 -8.265 12.474 1.00 35.32 H new ATOM 0 HA SER A 53 4.549 -5.776 13.306 1.00 41.54 H new ATOM 0 HB2 SER A 53 5.444 -7.066 10.856 1.00 43.20 H new ATOM 0 HB3 SER A 53 4.036 -6.083 10.507 1.00 43.20 H new ATOM 0 HG SER A 53 6.231 -5.030 10.496 1.00 22.11 H new ATOM 796 N LYS A 54 2.148 -7.818 12.477 1.00 13.51 N ATOM 797 CA LYS A 54 0.713 -8.045 12.308 1.00 4.24 C ATOM 798 C LYS A 54 0.254 -7.751 10.876 1.00 61.14 C ATOM 799 O LYS A 54 -0.878 -7.316 10.653 1.00 64.44 O ATOM 800 CB LYS A 54 -0.136 -7.370 13.400 1.00 64.20 C ATOM 801 CG LYS A 54 0.486 -7.458 14.809 1.00 53.32 C ATOM 802 CD LYS A 54 -0.571 -7.501 15.914 1.00 40.34 C ATOM 803 CE LYS A 54 -1.326 -8.834 15.891 1.00 31.33 C ATOM 804 NZ LYS A 54 -2.423 -8.849 16.872 1.00 15.22 N ATOM 0 H LYS A 54 2.677 -8.687 12.546 1.00 13.51 H new ATOM 0 HA LYS A 54 0.537 -9.110 12.457 1.00 4.24 H new ATOM 0 HB2 LYS A 54 -0.280 -6.321 13.140 1.00 64.20 H new ATOM 0 HB3 LYS A 54 -1.123 -7.832 13.418 1.00 64.20 H new ATOM 0 HG2 LYS A 54 1.110 -8.350 14.872 1.00 53.32 H new ATOM 0 HG3 LYS A 54 1.139 -6.600 14.969 1.00 53.32 H new ATOM 0 HD2 LYS A 54 -0.095 -7.364 16.885 1.00 40.34 H new ATOM 0 HD3 LYS A 54 -1.273 -6.678 15.784 1.00 40.34 H new ATOM 0 HE2 LYS A 54 -1.727 -9.009 14.893 1.00 31.33 H new ATOM 0 HE3 LYS A 54 -0.634 -9.649 16.104 1.00 31.33 H new ATOM 0 HZ1 LYS A 54 -2.913 -9.765 16.830 1.00 15.22 H new ATOM 0 HZ2 LYS A 54 -2.037 -8.706 17.827 1.00 15.22 H new ATOM 0 HZ3 LYS A 54 -3.095 -8.086 16.653 1.00 15.22 H new ATOM 814 N GLY A 55 1.135 -8.055 9.918 1.00 21.33 N ATOM 815 CA GLY A 55 0.836 -8.208 8.505 1.00 34.11 C ATOM 816 C GLY A 55 0.523 -6.879 7.847 1.00 0.44 C ATOM 817 O GLY A 55 -0.604 -6.691 7.400 1.00 73.31 O ATOM 0 H GLY A 55 2.122 -8.207 10.125 1.00 21.33 H new ATOM 0 HA2 GLY A 55 1.685 -8.671 8.002 1.00 34.11 H new ATOM 0 HA3 GLY A 55 -0.012 -8.882 8.384 1.00 34.11 H new ATOM 821 N ILE A 56 1.501 -5.977 7.778 1.00 41.44 N ATOM 822 CA ILE A 56 1.315 -4.599 7.336 1.00 71.04 C ATOM 823 C ILE A 56 2.508 -4.153 6.490 1.00 40.14 C ATOM 824 O ILE A 56 3.655 -4.468 6.815 1.00 15.44 O ATOM 825 CB ILE A 56 1.131 -3.665 8.555 1.00 33.24 C ATOM 826 CG1 ILE A 56 2.109 -3.983 9.702 1.00 22.03 C ATOM 827 CG2 ILE A 56 -0.325 -3.713 9.054 1.00 3.42 C ATOM 828 CD1 ILE A 56 2.112 -2.904 10.781 1.00 3.23 C ATOM 0 H ILE A 56 2.465 -6.190 8.034 1.00 41.44 H new ATOM 0 HA ILE A 56 0.416 -4.543 6.723 1.00 71.04 H new ATOM 0 HB ILE A 56 1.361 -2.654 8.218 1.00 33.24 H new ATOM 0 HG12 ILE A 56 1.840 -4.940 10.150 1.00 22.03 H new ATOM 0 HG13 ILE A 56 3.115 -4.091 9.298 1.00 22.03 H new ATOM 0 HG21 ILE A 56 -0.438 -3.050 9.912 1.00 3.42 H new ATOM 0 HG22 ILE A 56 -0.994 -3.390 8.256 1.00 3.42 H new ATOM 0 HG23 ILE A 56 -0.576 -4.732 9.348 1.00 3.42 H new ATOM 0 HD11 ILE A 56 2.818 -3.176 11.566 1.00 3.23 H new ATOM 0 HD12 ILE A 56 2.408 -1.951 10.342 1.00 3.23 H new ATOM 0 HD13 ILE A 56 1.113 -2.813 11.207 1.00 3.23 H new ATOM 839 N ALA A 57 2.256 -3.347 5.458 1.00 34.32 N ATOM 840 CA ALA A 57 3.210 -2.474 4.779 1.00 73.41 C ATOM 841 C ALA A 57 2.405 -1.293 4.234 1.00 53.41 C ATOM 842 O ALA A 57 1.209 -1.437 3.983 1.00 54.43 O ATOM 843 CB ALA A 57 3.951 -3.207 3.649 1.00 22.43 C ATOM 0 H ALA A 57 1.323 -3.284 5.050 1.00 34.32 H new ATOM 0 HA ALA A 57 3.982 -2.139 5.472 1.00 73.41 H new ATOM 0 HB1 ALA A 57 4.651 -2.523 3.169 1.00 22.43 H new ATOM 0 HB2 ALA A 57 4.498 -4.055 4.062 1.00 22.43 H new ATOM 0 HB3 ALA A 57 3.231 -3.564 2.913 1.00 22.43 H new ATOM 849 N TYR A 58 3.041 -0.152 3.998 1.00 75.11 N ATOM 850 CA TYR A 58 2.522 0.926 3.163 1.00 21.43 C ATOM 851 C TYR A 58 3.512 1.017 2.006 1.00 13.04 C ATOM 852 O TYR A 58 4.702 0.811 2.231 1.00 32.21 O ATOM 853 CB TYR A 58 2.456 2.249 3.949 1.00 22.41 C ATOM 854 CG TYR A 58 1.701 2.219 5.268 1.00 64.50 C ATOM 855 CD1 TYR A 58 2.322 1.675 6.404 1.00 41.10 C ATOM 856 CD2 TYR A 58 0.417 2.790 5.389 1.00 32.31 C ATOM 857 CE1 TYR A 58 1.656 1.652 7.638 1.00 61.04 C ATOM 858 CE2 TYR A 58 -0.245 2.795 6.636 1.00 0.14 C ATOM 859 CZ TYR A 58 0.372 2.219 7.772 1.00 2.21 C ATOM 860 OH TYR A 58 -0.212 2.283 9.003 1.00 62.24 O ATOM 0 H TYR A 58 3.958 0.055 4.393 1.00 75.11 H new ATOM 0 HA TYR A 58 1.505 0.736 2.820 1.00 21.43 H new ATOM 0 HB2 TYR A 58 3.476 2.579 4.147 1.00 22.41 H new ATOM 0 HB3 TYR A 58 1.996 3.003 3.310 1.00 22.41 H new ATOM 0 HD1 TYR A 58 3.321 1.271 6.327 1.00 41.10 H new ATOM 0 HD2 TYR A 58 -0.062 3.225 4.524 1.00 32.31 H new ATOM 0 HE1 TYR A 58 2.131 1.196 8.494 1.00 61.04 H new ATOM 0 HE2 TYR A 58 -1.225 3.240 6.723 1.00 0.14 H new ATOM 0 HH TYR A 58 -1.094 2.702 8.925 1.00 62.24 H new ATOM 869 N VAL A 59 3.026 1.279 0.797 1.00 2.41 N ATOM 870 CA VAL A 59 3.821 1.267 -0.426 1.00 55.43 C ATOM 871 C VAL A 59 3.588 2.621 -1.070 1.00 61.54 C ATOM 872 O VAL A 59 2.440 2.959 -1.379 1.00 1.15 O ATOM 873 CB VAL A 59 3.403 0.093 -1.342 1.00 40.12 C ATOM 874 CG1 VAL A 59 4.226 0.048 -2.640 1.00 14.25 C ATOM 875 CG2 VAL A 59 3.521 -1.266 -0.633 1.00 11.43 C ATOM 0 H VAL A 59 2.046 1.511 0.637 1.00 2.41 H new ATOM 0 HA VAL A 59 4.882 1.112 -0.231 1.00 55.43 H new ATOM 0 HB VAL A 59 2.357 0.276 -1.590 1.00 40.12 H new ATOM 0 HG11 VAL A 59 3.897 -0.793 -3.251 1.00 14.25 H new ATOM 0 HG12 VAL A 59 4.084 0.976 -3.193 1.00 14.25 H new ATOM 0 HG13 VAL A 59 5.282 -0.072 -2.397 1.00 14.25 H new ATOM 0 HG21 VAL A 59 3.217 -2.060 -1.315 1.00 11.43 H new ATOM 0 HG22 VAL A 59 4.554 -1.428 -0.326 1.00 11.43 H new ATOM 0 HG23 VAL A 59 2.876 -1.275 0.245 1.00 11.43 H new ATOM 885 N GLU A 60 4.635 3.435 -1.185 1.00 33.33 N ATOM 886 CA GLU A 60 4.545 4.723 -1.840 1.00 4.15 C ATOM 887 C GLU A 60 4.439 4.520 -3.357 1.00 1.13 C ATOM 888 O GLU A 60 5.262 3.848 -3.978 1.00 32.23 O ATOM 889 CB GLU A 60 5.703 5.660 -1.428 1.00 11.21 C ATOM 890 CG GLU A 60 7.129 5.089 -1.468 1.00 33.45 C ATOM 891 CD GLU A 60 7.588 4.399 -0.175 1.00 40.11 C ATOM 892 OE1 GLU A 60 7.096 3.292 0.129 1.00 35.51 O ATOM 893 OE2 GLU A 60 8.465 4.981 0.511 1.00 64.20 O ATOM 0 H GLU A 60 5.564 3.215 -0.826 1.00 33.33 H new ATOM 0 HA GLU A 60 3.638 5.231 -1.511 1.00 4.15 H new ATOM 0 HB2 GLU A 60 5.673 6.536 -2.076 1.00 11.21 H new ATOM 0 HB3 GLU A 60 5.509 6.008 -0.413 1.00 11.21 H new ATOM 0 HG2 GLU A 60 7.195 4.373 -2.287 1.00 33.45 H new ATOM 0 HG3 GLU A 60 7.822 5.899 -1.696 1.00 33.45 H new ATOM 898 N PHE A 61 3.416 5.106 -3.976 1.00 13.35 N ATOM 899 CA PHE A 61 3.177 5.054 -5.411 1.00 34.51 C ATOM 900 C PHE A 61 3.591 6.362 -6.080 1.00 43.14 C ATOM 901 O PHE A 61 3.831 7.363 -5.396 1.00 23.12 O ATOM 902 CB PHE A 61 1.706 4.706 -5.667 1.00 21.41 C ATOM 903 CG PHE A 61 1.578 3.512 -6.580 1.00 74.50 C ATOM 904 CD1 PHE A 61 1.893 2.233 -6.086 1.00 75.33 C ATOM 905 CD2 PHE A 61 1.181 3.672 -7.916 1.00 41.21 C ATOM 906 CE1 PHE A 61 1.819 1.117 -6.933 1.00 13.04 C ATOM 907 CE2 PHE A 61 1.113 2.554 -8.759 1.00 51.03 C ATOM 908 CZ PHE A 61 1.437 1.274 -8.276 1.00 31.43 C ATOM 0 H PHE A 61 2.711 5.646 -3.474 1.00 13.35 H new ATOM 0 HA PHE A 61 3.792 4.273 -5.858 1.00 34.51 H new ATOM 0 HB2 PHE A 61 1.209 4.497 -4.720 1.00 21.41 H new ATOM 0 HB3 PHE A 61 1.199 5.563 -6.111 1.00 21.41 H new ATOM 0 HD1 PHE A 61 2.192 2.110 -5.055 1.00 75.33 H new ATOM 0 HD2 PHE A 61 0.929 4.652 -8.293 1.00 41.21 H new ATOM 0 HE1 PHE A 61 2.056 0.135 -6.552 1.00 13.04 H new ATOM 0 HE2 PHE A 61 0.809 2.677 -9.788 1.00 51.03 H new ATOM 0 HZ PHE A 61 1.393 0.418 -8.933 1.00 31.43 H new ATOM 917 N VAL A 62 3.686 6.363 -7.415 1.00 4.14 N ATOM 918 CA VAL A 62 4.084 7.540 -8.199 1.00 32.34 C ATOM 919 C VAL A 62 2.862 8.382 -8.617 1.00 35.34 C ATOM 920 O VAL A 62 3.013 9.527 -9.042 1.00 0.11 O ATOM 921 CB VAL A 62 4.932 7.078 -9.417 1.00 11.33 C ATOM 922 CG1 VAL A 62 5.379 8.206 -10.362 1.00 3.42 C ATOM 923 CG2 VAL A 62 6.199 6.369 -8.925 1.00 20.24 C ATOM 0 H VAL A 62 3.488 5.542 -7.986 1.00 4.14 H new ATOM 0 HA VAL A 62 4.698 8.195 -7.581 1.00 32.34 H new ATOM 0 HB VAL A 62 4.271 6.421 -9.983 1.00 11.33 H new ATOM 0 HG11 VAL A 62 5.964 7.785 -11.180 1.00 3.42 H new ATOM 0 HG12 VAL A 62 4.502 8.711 -10.766 1.00 3.42 H new ATOM 0 HG13 VAL A 62 5.988 8.922 -9.811 1.00 3.42 H new ATOM 0 HG21 VAL A 62 6.791 6.046 -9.781 1.00 20.24 H new ATOM 0 HG22 VAL A 62 6.787 7.055 -8.315 1.00 20.24 H new ATOM 0 HG23 VAL A 62 5.921 5.500 -8.328 1.00 20.24 H new ATOM 933 N ASP A 63 1.640 7.854 -8.510 1.00 62.41 N ATOM 934 CA ASP A 63 0.441 8.451 -9.109 1.00 53.03 C ATOM 935 C ASP A 63 -0.703 8.358 -8.115 1.00 64.52 C ATOM 936 O ASP A 63 -0.586 7.648 -7.116 1.00 13.25 O ATOM 937 CB ASP A 63 0.098 7.668 -10.399 1.00 62.20 C ATOM 938 CG ASP A 63 -0.756 8.418 -11.427 1.00 13.41 C ATOM 939 OD1 ASP A 63 -1.845 8.916 -11.076 1.00 21.22 O ATOM 940 OD2 ASP A 63 -0.339 8.555 -12.607 1.00 42.00 O ATOM 0 H ASP A 63 1.452 6.991 -8.000 1.00 62.41 H new ATOM 0 HA ASP A 63 0.611 9.499 -9.356 1.00 53.03 H new ATOM 0 HB2 ASP A 63 1.030 7.368 -10.878 1.00 62.20 H new ATOM 0 HB3 ASP A 63 -0.425 6.754 -10.118 1.00 62.20 H new ATOM 944 N VAL A 64 -1.815 9.042 -8.367 1.00 51.01 N ATOM 945 CA VAL A 64 -3.057 8.833 -7.642 1.00 52.23 C ATOM 946 C VAL A 64 -3.710 7.558 -8.155 1.00 61.40 C ATOM 947 O VAL A 64 -4.155 6.763 -7.332 1.00 51.41 O ATOM 948 CB VAL A 64 -3.969 10.082 -7.733 1.00 61.12 C ATOM 949 CG1 VAL A 64 -4.241 10.604 -9.153 1.00 40.20 C ATOM 950 CG2 VAL A 64 -5.295 9.842 -7.003 1.00 13.01 C ATOM 0 H VAL A 64 -1.876 9.762 -9.087 1.00 51.01 H new ATOM 0 HA VAL A 64 -2.863 8.700 -6.578 1.00 52.23 H new ATOM 0 HB VAL A 64 -3.396 10.869 -7.242 1.00 61.12 H new ATOM 0 HG11 VAL A 64 -4.889 11.479 -9.101 1.00 40.20 H new ATOM 0 HG12 VAL A 64 -3.298 10.878 -9.627 1.00 40.20 H new ATOM 0 HG13 VAL A 64 -4.729 9.826 -9.740 1.00 40.20 H new ATOM 0 HG21 VAL A 64 -5.919 10.732 -7.080 1.00 13.01 H new ATOM 0 HG22 VAL A 64 -5.812 8.996 -7.456 1.00 13.01 H new ATOM 0 HG23 VAL A 64 -5.098 9.627 -5.953 1.00 13.01 H new ATOM 960 N SER A 65 -3.750 7.319 -9.469 1.00 43.40 N ATOM 961 CA SER A 65 -4.827 6.506 -10.027 1.00 31.34 C ATOM 962 C SER A 65 -4.809 5.051 -9.551 1.00 33.44 C ATOM 963 O SER A 65 -5.879 4.463 -9.383 1.00 60.24 O ATOM 964 CB SER A 65 -4.829 6.608 -11.552 1.00 35.35 C ATOM 965 OG SER A 65 -5.097 7.942 -11.947 1.00 42.22 O ATOM 0 H SER A 65 -3.070 7.666 -10.146 1.00 43.40 H new ATOM 0 HA SER A 65 -5.763 6.915 -9.646 1.00 31.34 H new ATOM 0 HB2 SER A 65 -3.864 6.290 -11.947 1.00 35.35 H new ATOM 0 HB3 SER A 65 -5.581 5.938 -11.969 1.00 35.35 H new ATOM 0 HG SER A 65 -5.095 8.000 -12.925 1.00 42.22 H new ATOM 970 N SER A 66 -3.640 4.487 -9.239 1.00 24.52 N ATOM 971 CA SER A 66 -3.570 3.125 -8.738 1.00 51.33 C ATOM 972 C SER A 66 -4.042 2.981 -7.270 1.00 34.32 C ATOM 973 O SER A 66 -4.240 1.863 -6.815 1.00 52.01 O ATOM 974 CB SER A 66 -2.186 2.525 -9.000 1.00 2.02 C ATOM 975 OG SER A 66 -1.746 2.780 -10.334 1.00 42.43 O ATOM 0 H SER A 66 -2.738 4.954 -9.326 1.00 24.52 H new ATOM 0 HA SER A 66 -4.290 2.533 -9.303 1.00 51.33 H new ATOM 0 HB2 SER A 66 -1.468 2.942 -8.294 1.00 2.02 H new ATOM 0 HB3 SER A 66 -2.216 1.449 -8.826 1.00 2.02 H new ATOM 0 HG SER A 66 -1.726 1.940 -10.838 1.00 42.43 H new ATOM 980 N VAL A 67 -4.312 4.062 -6.520 1.00 74.40 N ATOM 981 CA VAL A 67 -4.877 3.978 -5.167 1.00 34.34 C ATOM 982 C VAL A 67 -6.292 3.374 -5.258 1.00 2.13 C ATOM 983 O VAL A 67 -6.497 2.269 -4.752 1.00 64.14 O ATOM 984 CB VAL A 67 -4.807 5.333 -4.410 1.00 52.43 C ATOM 985 CG1 VAL A 67 -5.556 5.279 -3.070 1.00 33.24 C ATOM 986 CG2 VAL A 67 -3.361 5.770 -4.124 1.00 54.34 C ATOM 0 H VAL A 67 -4.144 5.017 -6.836 1.00 74.40 H new ATOM 0 HA VAL A 67 -4.271 3.311 -4.555 1.00 34.34 H new ATOM 0 HB VAL A 67 -5.281 6.057 -5.073 1.00 52.43 H new ATOM 0 HG11 VAL A 67 -5.482 6.246 -2.573 1.00 33.24 H new ATOM 0 HG12 VAL A 67 -6.605 5.042 -3.249 1.00 33.24 H new ATOM 0 HG13 VAL A 67 -5.113 4.511 -2.436 1.00 33.24 H new ATOM 0 HG21 VAL A 67 -3.367 6.722 -3.594 1.00 54.34 H new ATOM 0 HG22 VAL A 67 -2.868 5.016 -3.511 1.00 54.34 H new ATOM 0 HG23 VAL A 67 -2.822 5.882 -5.065 1.00 54.34 H new ATOM 996 N PRO A 68 -7.277 4.010 -5.929 1.00 55.04 N ATOM 997 CA PRO A 68 -8.583 3.392 -6.125 1.00 53.01 C ATOM 998 C PRO A 68 -8.535 2.156 -7.034 1.00 40.02 C ATOM 999 O PRO A 68 -9.525 1.425 -7.096 1.00 31.45 O ATOM 1000 CB PRO A 68 -9.489 4.494 -6.683 1.00 75.51 C ATOM 1001 CG PRO A 68 -8.511 5.429 -7.385 1.00 54.23 C ATOM 1002 CD PRO A 68 -7.275 5.352 -6.497 1.00 35.34 C ATOM 0 HA PRO A 68 -8.968 3.004 -5.182 1.00 53.01 H new ATOM 0 HB2 PRO A 68 -10.230 4.094 -7.375 1.00 75.51 H new ATOM 0 HB3 PRO A 68 -10.036 5.005 -5.891 1.00 75.51 H new ATOM 0 HG2 PRO A 68 -8.299 5.102 -8.403 1.00 54.23 H new ATOM 0 HG3 PRO A 68 -8.899 6.445 -7.451 1.00 54.23 H new ATOM 0 HD2 PRO A 68 -6.368 5.531 -7.074 1.00 35.34 H new ATOM 0 HD3 PRO A 68 -7.309 6.108 -5.713 1.00 35.34 H new ATOM 1007 N LEU A 69 -7.420 1.886 -7.721 1.00 40.00 N ATOM 1008 CA LEU A 69 -7.219 0.622 -8.415 1.00 32.32 C ATOM 1009 C LEU A 69 -7.034 -0.497 -7.397 1.00 35.45 C ATOM 1010 O LEU A 69 -7.797 -1.460 -7.438 1.00 35.12 O ATOM 1011 CB LEU A 69 -6.026 0.716 -9.360 1.00 63.34 C ATOM 1012 CG LEU A 69 -6.007 -0.288 -10.520 1.00 4.11 C ATOM 1013 CD1 LEU A 69 -4.806 0.058 -11.397 1.00 54.41 C ATOM 1014 CD2 LEU A 69 -5.923 -1.752 -10.079 1.00 32.33 C ATOM 0 H LEU A 69 -6.639 2.537 -7.808 1.00 40.00 H new ATOM 0 HA LEU A 69 -8.099 0.397 -9.018 1.00 32.32 H new ATOM 0 HB2 LEU A 69 -5.996 1.723 -9.776 1.00 63.34 H new ATOM 0 HB3 LEU A 69 -5.114 0.585 -8.777 1.00 63.34 H new ATOM 0 HG LEU A 69 -6.952 -0.202 -11.056 1.00 4.11 H new ATOM 0 HD11 LEU A 69 -4.757 -0.635 -12.236 1.00 54.41 H new ATOM 0 HD12 LEU A 69 -4.911 1.076 -11.773 1.00 54.41 H new ATOM 0 HD13 LEU A 69 -3.892 -0.019 -10.809 1.00 54.41 H new ATOM 0 HD21 LEU A 69 -5.914 -2.397 -10.958 1.00 32.33 H new ATOM 0 HD22 LEU A 69 -5.009 -1.907 -9.506 1.00 32.33 H new ATOM 0 HD23 LEU A 69 -6.786 -1.995 -9.459 1.00 32.33 H new ATOM 1025 N ALA A 70 -6.079 -0.345 -6.470 1.00 44.22 N ATOM 1026 CA ALA A 70 -5.747 -1.328 -5.442 1.00 12.41 C ATOM 1027 C ALA A 70 -6.953 -1.693 -4.572 1.00 22.23 C ATOM 1028 O ALA A 70 -7.054 -2.827 -4.101 1.00 72.40 O ATOM 1029 CB ALA A 70 -4.624 -0.779 -4.555 1.00 22.31 C ATOM 0 H ALA A 70 -5.501 0.494 -6.417 1.00 44.22 H new ATOM 0 HA ALA A 70 -5.424 -2.237 -5.950 1.00 12.41 H new ATOM 0 HB1 ALA A 70 -4.375 -1.512 -3.787 1.00 22.31 H new ATOM 0 HB2 ALA A 70 -3.743 -0.580 -5.165 1.00 22.31 H new ATOM 0 HB3 ALA A 70 -4.954 0.145 -4.081 1.00 22.31 H new ATOM 1035 N ILE A 71 -7.887 -0.754 -4.384 1.00 61.32 N ATOM 1036 CA ILE A 71 -9.169 -0.984 -3.727 1.00 43.21 C ATOM 1037 C ILE A 71 -9.885 -2.136 -4.441 1.00 23.01 C ATOM 1038 O ILE A 71 -10.264 -3.117 -3.806 1.00 73.41 O ATOM 1039 CB ILE A 71 -9.956 0.350 -3.687 1.00 20.24 C ATOM 1040 CG1 ILE A 71 -9.253 1.288 -2.677 1.00 42.41 C ATOM 1041 CG2 ILE A 71 -11.448 0.162 -3.368 1.00 72.41 C ATOM 1042 CD1 ILE A 71 -9.928 2.647 -2.454 1.00 62.40 C ATOM 0 H ILE A 71 -7.765 0.210 -4.694 1.00 61.32 H new ATOM 0 HA ILE A 71 -9.057 -1.296 -2.689 1.00 43.21 H new ATOM 0 HB ILE A 71 -9.946 0.799 -4.680 1.00 20.24 H new ATOM 0 HG12 ILE A 71 -9.185 0.774 -1.718 1.00 42.41 H new ATOM 0 HG13 ILE A 71 -8.233 1.461 -3.019 1.00 42.41 H new ATOM 0 HG21 ILE A 71 -11.942 1.133 -3.355 1.00 72.41 H new ATOM 0 HG22 ILE A 71 -11.906 -0.468 -4.130 1.00 72.41 H new ATOM 0 HG23 ILE A 71 -11.555 -0.313 -2.393 1.00 72.41 H new ATOM 0 HD11 ILE A 71 -9.354 3.224 -1.729 1.00 62.40 H new ATOM 0 HD12 ILE A 71 -9.972 3.191 -3.398 1.00 62.40 H new ATOM 0 HD13 ILE A 71 -10.939 2.494 -2.077 1.00 62.40 H new ATOM 1053 N GLY A 72 -9.964 -2.078 -5.770 1.00 73.41 N ATOM 1054 CA GLY A 72 -10.514 -3.120 -6.620 1.00 60.41 C ATOM 1055 C GLY A 72 -9.670 -4.397 -6.686 1.00 60.20 C ATOM 1056 O GLY A 72 -9.975 -5.273 -7.500 1.00 2.42 O ATOM 0 H GLY A 72 -9.633 -1.271 -6.299 1.00 73.41 H new ATOM 0 HA2 GLY A 72 -11.511 -3.376 -6.260 1.00 60.41 H new ATOM 0 HA3 GLY A 72 -10.631 -2.724 -7.629 1.00 60.41 H new ATOM 1060 N LEU A 73 -8.617 -4.540 -5.875 1.00 31.01 N ATOM 1061 CA LEU A 73 -7.862 -5.781 -5.708 1.00 20.02 C ATOM 1062 C LEU A 73 -7.965 -6.297 -4.269 1.00 53.32 C ATOM 1063 O LEU A 73 -7.357 -7.321 -3.977 1.00 51.52 O ATOM 1064 CB LEU A 73 -6.384 -5.626 -6.106 1.00 33.42 C ATOM 1065 CG LEU A 73 -6.129 -5.149 -7.545 1.00 11.13 C ATOM 1066 CD1 LEU A 73 -4.640 -4.870 -7.746 1.00 22.21 C ATOM 1067 CD2 LEU A 73 -6.572 -6.212 -8.552 1.00 42.31 C ATOM 0 H LEU A 73 -8.259 -3.775 -5.303 1.00 31.01 H new ATOM 0 HA LEU A 73 -8.311 -6.510 -6.382 1.00 20.02 H new ATOM 0 HB2 LEU A 73 -5.914 -4.921 -5.420 1.00 33.42 H new ATOM 0 HB3 LEU A 73 -5.887 -6.586 -5.967 1.00 33.42 H new ATOM 0 HG LEU A 73 -6.704 -4.237 -7.707 1.00 11.13 H new ATOM 0 HD11 LEU A 73 -4.468 -4.533 -8.768 1.00 22.21 H new ATOM 0 HD12 LEU A 73 -4.317 -4.096 -7.049 1.00 22.21 H new ATOM 0 HD13 LEU A 73 -4.071 -5.782 -7.564 1.00 22.21 H new ATOM 0 HD21 LEU A 73 -6.383 -5.855 -9.564 1.00 42.31 H new ATOM 0 HD22 LEU A 73 -6.012 -7.131 -8.381 1.00 42.31 H new ATOM 0 HD23 LEU A 73 -7.637 -6.408 -8.429 1.00 42.31 H new ATOM 1078 N THR A 74 -8.758 -5.679 -3.380 1.00 72.00 N ATOM 1079 CA THR A 74 -8.990 -6.157 -2.009 1.00 13.15 C ATOM 1080 C THR A 74 -9.373 -7.645 -1.977 1.00 55.23 C ATOM 1081 O THR A 74 -9.079 -8.363 -1.021 1.00 43.33 O ATOM 1082 CB THR A 74 -10.034 -5.256 -1.327 1.00 11.14 C ATOM 1083 OG1 THR A 74 -9.992 -5.392 0.084 1.00 64.42 O ATOM 1084 CG2 THR A 74 -11.471 -5.463 -1.833 1.00 42.32 C ATOM 0 H THR A 74 -9.264 -4.820 -3.597 1.00 72.00 H new ATOM 0 HA THR A 74 -8.061 -6.088 -1.444 1.00 13.15 H new ATOM 0 HB THR A 74 -9.752 -4.240 -1.604 1.00 11.14 H new ATOM 0 HG1 THR A 74 -10.905 -5.389 0.440 1.00 64.42 H new ATOM 0 HG21 THR A 74 -12.144 -4.790 -1.302 1.00 42.32 H new ATOM 0 HG22 THR A 74 -11.515 -5.251 -2.901 1.00 42.32 H new ATOM 0 HG23 THR A 74 -11.774 -6.495 -1.655 1.00 42.32 H new ATOM 1092 N GLY A 75 -10.032 -8.113 -3.035 1.00 1.14 N ATOM 1093 CA GLY A 75 -10.529 -9.465 -3.175 1.00 53.50 C ATOM 1094 C GLY A 75 -9.637 -10.341 -4.038 1.00 33.35 C ATOM 1095 O GLY A 75 -10.121 -11.349 -4.549 1.00 2.31 O ATOM 0 H GLY A 75 -10.239 -7.531 -3.847 1.00 1.14 H new ATOM 0 HA2 GLY A 75 -10.624 -9.915 -2.187 1.00 53.50 H new ATOM 0 HA3 GLY A 75 -11.528 -9.435 -3.609 1.00 53.50 H new ATOM 1099 N GLN A 76 -8.376 -9.962 -4.252 1.00 22.44 N ATOM 1100 CA GLN A 76 -7.367 -10.743 -4.952 1.00 61.34 C ATOM 1101 C GLN A 76 -6.151 -10.840 -4.049 1.00 21.44 C ATOM 1102 O GLN A 76 -6.029 -10.089 -3.085 1.00 35.11 O ATOM 1103 CB GLN A 76 -6.991 -10.118 -6.303 1.00 41.21 C ATOM 1104 CG GLN A 76 -8.224 -9.754 -7.139 1.00 72.30 C ATOM 1105 CD GLN A 76 -8.048 -10.029 -8.625 1.00 14.34 C ATOM 1106 OE1 GLN A 76 -7.833 -9.007 -9.427 1.00 61.11 O flip ATOM 1107 NE2 GLN A 76 -8.116 -11.180 -9.055 1.00 42.20 N flip ATOM 0 H GLN A 76 -8.020 -9.063 -3.927 1.00 22.44 H new ATOM 0 HA GLN A 76 -7.764 -11.734 -5.173 1.00 61.34 H new ATOM 0 HB2 GLN A 76 -6.393 -9.223 -6.133 1.00 41.21 H new ATOM 0 HB3 GLN A 76 -6.368 -10.816 -6.863 1.00 41.21 H new ATOM 0 HG2 GLN A 76 -9.082 -10.317 -6.772 1.00 72.30 H new ATOM 0 HG3 GLN A 76 -8.451 -8.698 -6.997 1.00 72.30 H new ATOM 0 HE21 GLN A 76 -8.283 -11.955 -8.413 1.00 42.20 H new ATOM 0 HE22 GLN A 76 -8.005 -11.359 -10.053 1.00 42.20 H new ATOM 1114 N ARG A 77 -5.241 -11.757 -4.364 1.00 41.23 N ATOM 1115 CA ARG A 77 -4.052 -12.012 -3.562 1.00 43.14 C ATOM 1116 C ARG A 77 -2.928 -12.470 -4.456 1.00 11.44 C ATOM 1117 O ARG A 77 -3.116 -13.403 -5.230 1.00 51.13 O ATOM 1118 CB ARG A 77 -4.322 -13.041 -2.447 1.00 33.33 C ATOM 1119 CG ARG A 77 -5.205 -14.228 -2.849 1.00 54.22 C ATOM 1120 CD ARG A 77 -5.398 -15.160 -1.652 1.00 51.44 C ATOM 1121 NE ARG A 77 -6.454 -16.136 -1.918 1.00 60.12 N ATOM 1122 CZ ARG A 77 -6.472 -17.425 -1.581 1.00 0.21 C ATOM 1123 NH1 ARG A 77 -5.578 -17.931 -0.738 1.00 32.11 N ATOM 1124 NH2 ARG A 77 -7.410 -18.192 -2.112 1.00 21.15 N ATOM 0 H ARG A 77 -5.310 -12.349 -5.192 1.00 41.23 H new ATOM 0 HA ARG A 77 -3.765 -11.082 -3.071 1.00 43.14 H new ATOM 0 HB2 ARG A 77 -3.366 -13.425 -2.091 1.00 33.33 H new ATOM 0 HB3 ARG A 77 -4.792 -12.528 -1.608 1.00 33.33 H new ATOM 0 HG2 ARG A 77 -6.172 -13.870 -3.202 1.00 54.22 H new ATOM 0 HG3 ARG A 77 -4.745 -14.772 -3.674 1.00 54.22 H new ATOM 0 HD2 ARG A 77 -4.464 -15.678 -1.435 1.00 51.44 H new ATOM 0 HD3 ARG A 77 -5.651 -14.575 -0.768 1.00 51.44 H new ATOM 0 HE ARG A 77 -7.272 -15.790 -2.420 1.00 60.12 H new ATOM 0 HH11 ARG A 77 -4.859 -17.330 -0.335 1.00 32.11 H new ATOM 0 HH12 ARG A 77 -5.610 -18.921 -0.494 1.00 32.11 H new ATOM 0 HH21 ARG A 77 -8.091 -17.792 -2.758 1.00 21.15 H new ATOM 0 HH22 ARG A 77 -7.453 -19.183 -1.876 1.00 21.15 H new ATOM 1135 N VAL A 78 -1.770 -11.849 -4.300 1.00 4.13 N ATOM 1136 CA VAL A 78 -0.527 -12.360 -4.825 1.00 64.23 C ATOM 1137 C VAL A 78 -0.063 -13.432 -3.850 1.00 1.11 C ATOM 1138 O VAL A 78 0.405 -13.168 -2.746 1.00 71.22 O ATOM 1139 CB VAL A 78 0.477 -11.219 -5.067 1.00 51.20 C ATOM 1140 CG1 VAL A 78 0.553 -10.226 -3.916 1.00 43.54 C ATOM 1141 CG2 VAL A 78 1.907 -11.727 -5.333 1.00 61.01 C ATOM 0 H VAL A 78 -1.672 -10.966 -3.799 1.00 4.13 H new ATOM 0 HA VAL A 78 -0.638 -12.814 -5.810 1.00 64.23 H new ATOM 0 HB VAL A 78 0.087 -10.718 -5.953 1.00 51.20 H new ATOM 0 HG11 VAL A 78 1.279 -9.449 -4.153 1.00 43.54 H new ATOM 0 HG12 VAL A 78 -0.426 -9.773 -3.761 1.00 43.54 H new ATOM 0 HG13 VAL A 78 0.860 -10.745 -3.008 1.00 43.54 H new ATOM 0 HG21 VAL A 78 2.570 -10.878 -5.496 1.00 61.01 H new ATOM 0 HG22 VAL A 78 2.256 -12.299 -4.473 1.00 61.01 H new ATOM 0 HG23 VAL A 78 1.908 -12.364 -6.218 1.00 61.01 H new ATOM 1151 N LEU A 79 -0.237 -14.676 -4.263 1.00 52.10 N ATOM 1152 CA LEU A 79 0.346 -15.870 -3.645 1.00 74.43 C ATOM 1153 C LEU A 79 -0.069 -16.068 -2.184 1.00 3.35 C ATOM 1154 O LEU A 79 0.600 -16.801 -1.456 1.00 60.30 O ATOM 1155 CB LEU A 79 1.886 -15.850 -3.791 1.00 31.23 C ATOM 1156 CG LEU A 79 2.402 -15.635 -5.225 1.00 55.11 C ATOM 1157 CD1 LEU A 79 3.915 -15.404 -5.217 1.00 31.11 C ATOM 1158 CD2 LEU A 79 2.065 -16.837 -6.110 1.00 72.00 C ATOM 0 H LEU A 79 -0.814 -14.898 -5.075 1.00 52.10 H new ATOM 0 HA LEU A 79 -0.056 -16.729 -4.183 1.00 74.43 H new ATOM 0 HB2 LEU A 79 2.286 -15.060 -3.155 1.00 31.23 H new ATOM 0 HB3 LEU A 79 2.284 -16.793 -3.416 1.00 31.23 H new ATOM 0 HG LEU A 79 1.909 -14.753 -5.633 1.00 55.11 H new ATOM 0 HD11 LEU A 79 4.265 -15.254 -6.238 1.00 31.11 H new ATOM 0 HD12 LEU A 79 4.145 -14.521 -4.621 1.00 31.11 H new ATOM 0 HD13 LEU A 79 4.413 -16.273 -4.787 1.00 31.11 H new ATOM 0 HD21 LEU A 79 2.439 -16.662 -7.119 1.00 72.00 H new ATOM 0 HD22 LEU A 79 2.531 -17.733 -5.700 1.00 72.00 H new ATOM 0 HD23 LEU A 79 0.984 -16.973 -6.143 1.00 72.00 H new ATOM 1169 N GLY A 80 -1.160 -15.435 -1.743 1.00 31.32 N ATOM 1170 CA GLY A 80 -1.603 -15.478 -0.355 1.00 74.42 C ATOM 1171 C GLY A 80 -1.453 -14.155 0.394 1.00 4.21 C ATOM 1172 O GLY A 80 -1.807 -14.080 1.568 1.00 20.24 O ATOM 0 H GLY A 80 -1.762 -14.875 -2.347 1.00 31.32 H new ATOM 0 HA2 GLY A 80 -2.650 -15.780 -0.329 1.00 74.42 H new ATOM 0 HA3 GLY A 80 -1.037 -16.246 0.171 1.00 74.42 H new ATOM 1176 N VAL A 81 -0.984 -13.107 -0.281 1.00 42.20 N ATOM 1177 CA VAL A 81 -0.933 -11.731 0.192 1.00 55.53 C ATOM 1178 C VAL A 81 -2.054 -10.963 -0.523 1.00 15.45 C ATOM 1179 O VAL A 81 -1.842 -10.454 -1.625 1.00 53.30 O ATOM 1180 CB VAL A 81 0.474 -11.146 -0.031 1.00 44.53 C ATOM 1181 CG1 VAL A 81 0.550 -9.659 0.337 1.00 41.42 C ATOM 1182 CG2 VAL A 81 1.526 -11.927 0.765 1.00 4.42 C ATOM 0 H VAL A 81 -0.609 -13.204 -1.225 1.00 42.20 H new ATOM 0 HA VAL A 81 -1.104 -11.656 1.266 1.00 55.53 H new ATOM 0 HB VAL A 81 0.684 -11.241 -1.096 1.00 44.53 H new ATOM 0 HG11 VAL A 81 1.562 -9.292 0.163 1.00 41.42 H new ATOM 0 HG12 VAL A 81 -0.151 -9.096 -0.278 1.00 41.42 H new ATOM 0 HG13 VAL A 81 0.294 -9.531 1.389 1.00 41.42 H new ATOM 0 HG21 VAL A 81 2.511 -11.493 0.590 1.00 4.42 H new ATOM 0 HG22 VAL A 81 1.291 -11.875 1.828 1.00 4.42 H new ATOM 0 HG23 VAL A 81 1.526 -12.969 0.444 1.00 4.42 H new ATOM 1192 N PRO A 82 -3.289 -10.975 0.001 1.00 0.32 N ATOM 1193 CA PRO A 82 -4.317 -10.022 -0.389 1.00 43.30 C ATOM 1194 C PRO A 82 -3.966 -8.613 0.084 1.00 20.34 C ATOM 1195 O PRO A 82 -2.949 -8.393 0.748 1.00 44.41 O ATOM 1196 CB PRO A 82 -5.619 -10.536 0.236 1.00 34.44 C ATOM 1197 CG PRO A 82 -5.109 -11.232 1.491 1.00 61.21 C ATOM 1198 CD PRO A 82 -3.769 -11.816 1.080 1.00 31.12 C ATOM 0 HA PRO A 82 -4.413 -9.948 -1.472 1.00 43.30 H new ATOM 0 HB2 PRO A 82 -6.308 -9.725 0.470 1.00 34.44 H new ATOM 0 HB3 PRO A 82 -6.147 -11.222 -0.426 1.00 34.44 H new ATOM 0 HG2 PRO A 82 -5.000 -10.530 2.318 1.00 61.21 H new ATOM 0 HG3 PRO A 82 -5.797 -12.010 1.822 1.00 61.21 H new ATOM 0 HD2 PRO A 82 -3.070 -11.818 1.916 1.00 31.12 H new ATOM 0 HD3 PRO A 82 -3.876 -12.850 0.752 1.00 31.12 H new ATOM 1203 N ILE A 83 -4.832 -7.652 -0.236 1.00 74.40 N ATOM 1204 CA ILE A 83 -4.767 -6.280 0.252 1.00 23.05 C ATOM 1205 C ILE A 83 -6.073 -5.965 0.991 1.00 14.52 C ATOM 1206 O ILE A 83 -6.971 -6.804 1.065 1.00 40.30 O ATOM 1207 CB ILE A 83 -4.378 -5.328 -0.912 1.00 72.34 C ATOM 1208 CG1 ILE A 83 -4.097 -3.894 -0.403 1.00 35.05 C ATOM 1209 CG2 ILE A 83 -5.395 -5.308 -2.067 1.00 20.31 C ATOM 1210 CD1 ILE A 83 -3.013 -3.156 -1.180 1.00 0.25 C ATOM 0 H ILE A 83 -5.621 -7.815 -0.861 1.00 74.40 H new ATOM 0 HA ILE A 83 -3.977 -6.130 0.988 1.00 23.05 H new ATOM 0 HB ILE A 83 -3.458 -5.740 -1.326 1.00 72.34 H new ATOM 0 HG12 ILE A 83 -5.020 -3.316 -0.451 1.00 35.05 H new ATOM 0 HG13 ILE A 83 -3.806 -3.944 0.646 1.00 35.05 H new ATOM 0 HG21 ILE A 83 -5.053 -4.620 -2.841 1.00 20.31 H new ATOM 0 HG22 ILE A 83 -5.488 -6.310 -2.487 1.00 20.31 H new ATOM 0 HG23 ILE A 83 -6.365 -4.980 -1.692 1.00 20.31 H new ATOM 0 HD11 ILE A 83 -2.878 -2.160 -0.759 1.00 0.25 H new ATOM 0 HD12 ILE A 83 -2.076 -3.709 -1.111 1.00 0.25 H new ATOM 0 HD13 ILE A 83 -3.309 -3.071 -2.226 1.00 0.25 H new ATOM 1221 N ILE A 84 -6.165 -4.777 1.584 1.00 33.05 N ATOM 1222 CA ILE A 84 -7.376 -4.180 2.125 1.00 75.21 C ATOM 1223 C ILE A 84 -7.552 -2.821 1.429 1.00 15.41 C ATOM 1224 O ILE A 84 -6.574 -2.123 1.149 1.00 4.15 O ATOM 1225 CB ILE A 84 -7.244 -4.040 3.662 1.00 60.33 C ATOM 1226 CG1 ILE A 84 -7.001 -5.375 4.398 1.00 33.14 C ATOM 1227 CG2 ILE A 84 -8.479 -3.363 4.286 1.00 51.32 C ATOM 1228 CD1 ILE A 84 -8.149 -6.393 4.350 1.00 71.13 C ATOM 0 H ILE A 84 -5.350 -4.175 1.705 1.00 33.05 H new ATOM 0 HA ILE A 84 -8.255 -4.798 1.942 1.00 75.21 H new ATOM 0 HB ILE A 84 -6.361 -3.416 3.796 1.00 60.33 H new ATOM 0 HG12 ILE A 84 -6.111 -5.842 3.976 1.00 33.14 H new ATOM 0 HG13 ILE A 84 -6.781 -5.155 5.443 1.00 33.14 H new ATOM 0 HG21 ILE A 84 -8.345 -3.285 5.365 1.00 51.32 H new ATOM 0 HG22 ILE A 84 -8.601 -2.366 3.862 1.00 51.32 H new ATOM 0 HG23 ILE A 84 -9.367 -3.958 4.073 1.00 51.32 H new ATOM 0 HD11 ILE A 84 -7.863 -7.290 4.900 1.00 71.13 H new ATOM 0 HD12 ILE A 84 -9.040 -5.958 4.802 1.00 71.13 H new ATOM 0 HD13 ILE A 84 -8.360 -6.655 3.313 1.00 71.13 H new ATOM 1239 N VAL A 85 -8.804 -2.422 1.227 1.00 23.31 N ATOM 1240 CA VAL A 85 -9.281 -1.160 0.653 1.00 34.21 C ATOM 1241 C VAL A 85 -8.774 0.122 1.345 1.00 51.41 C ATOM 1242 O VAL A 85 -8.883 1.198 0.758 1.00 71.20 O ATOM 1243 CB VAL A 85 -10.821 -1.255 0.681 1.00 63.21 C ATOM 1244 CG1 VAL A 85 -11.571 0.054 0.484 1.00 33.44 C ATOM 1245 CG2 VAL A 85 -11.322 -2.279 -0.336 1.00 43.42 C ATOM 0 H VAL A 85 -9.585 -3.026 1.483 1.00 23.31 H new ATOM 0 HA VAL A 85 -8.878 -1.053 -0.354 1.00 34.21 H new ATOM 0 HB VAL A 85 -11.043 -1.570 1.700 1.00 63.21 H new ATOM 0 HG11 VAL A 85 -12.644 -0.132 0.522 1.00 33.44 H new ATOM 0 HG12 VAL A 85 -11.296 0.753 1.273 1.00 33.44 H new ATOM 0 HG13 VAL A 85 -11.311 0.480 -0.485 1.00 33.44 H new ATOM 0 HG21 VAL A 85 -12.410 -2.328 -0.297 1.00 43.42 H new ATOM 0 HG22 VAL A 85 -11.007 -1.982 -1.336 1.00 43.42 H new ATOM 0 HG23 VAL A 85 -10.906 -3.259 -0.101 1.00 43.42 H new ATOM 1255 N GLN A 86 -8.216 0.032 2.556 1.00 0.12 N ATOM 1256 CA GLN A 86 -7.911 1.170 3.425 1.00 24.43 C ATOM 1257 C GLN A 86 -7.257 2.350 2.732 1.00 52.22 C ATOM 1258 O GLN A 86 -7.604 3.488 3.054 1.00 53.32 O ATOM 1259 CB GLN A 86 -7.008 0.756 4.592 1.00 22.05 C ATOM 1260 CG GLN A 86 -7.724 0.083 5.762 1.00 24.21 C ATOM 1261 CD GLN A 86 -8.910 0.854 6.333 1.00 2.52 C ATOM 1262 OE1 GLN A 86 -9.954 0.246 6.573 1.00 32.35 O ATOM 1263 NE2 GLN A 86 -8.768 2.153 6.559 1.00 73.10 N ATOM 0 H GLN A 86 -7.956 -0.863 2.970 1.00 0.12 H new ATOM 0 HA GLN A 86 -8.891 1.495 3.774 1.00 24.43 H new ATOM 0 HB2 GLN A 86 -6.243 0.076 4.215 1.00 22.05 H new ATOM 0 HB3 GLN A 86 -6.492 1.642 4.963 1.00 22.05 H new ATOM 0 HG2 GLN A 86 -8.072 -0.898 5.438 1.00 24.21 H new ATOM 0 HG3 GLN A 86 -7.002 -0.083 6.561 1.00 24.21 H new ATOM 0 HE21 GLN A 86 -7.884 2.614 6.344 1.00 73.10 H new ATOM 0 HE22 GLN A 86 -9.543 2.691 6.947 1.00 73.10 H new ATOM 1270 N ALA A 87 -6.292 2.085 1.843 1.00 44.44 N ATOM 1271 CA ALA A 87 -5.312 3.038 1.394 1.00 54.43 C ATOM 1272 C ALA A 87 -4.527 3.561 2.598 1.00 12.33 C ATOM 1273 O ALA A 87 -4.767 3.211 3.761 1.00 42.14 O ATOM 1274 CB ALA A 87 -6.007 4.117 0.556 1.00 63.54 C ATOM 0 H ALA A 87 -6.182 1.167 1.412 1.00 44.44 H new ATOM 0 HA ALA A 87 -4.572 2.581 0.736 1.00 54.43 H new ATOM 0 HB1 ALA A 87 -5.269 4.842 0.213 1.00 63.54 H new ATOM 0 HB2 ALA A 87 -6.489 3.654 -0.305 1.00 63.54 H new ATOM 0 HB3 ALA A 87 -6.757 4.623 1.164 1.00 63.54 H new ATOM 1280 N SER A 88 -3.532 4.377 2.309 1.00 53.02 N ATOM 1281 CA SER A 88 -3.027 5.304 3.300 1.00 73.52 C ATOM 1282 C SER A 88 -3.842 6.578 3.086 1.00 43.20 C ATOM 1283 O SER A 88 -3.947 7.071 1.952 1.00 20.51 O ATOM 1284 CB SER A 88 -1.524 5.497 3.086 1.00 11.35 C ATOM 1285 OG SER A 88 -0.841 5.856 4.268 1.00 60.34 O ATOM 0 H SER A 88 -3.062 4.417 1.405 1.00 53.02 H new ATOM 0 HA SER A 88 -3.134 4.962 4.330 1.00 73.52 H new ATOM 0 HB2 SER A 88 -1.097 4.575 2.692 1.00 11.35 H new ATOM 0 HB3 SER A 88 -1.366 6.269 2.333 1.00 11.35 H new ATOM 0 HG SER A 88 -0.554 5.046 4.739 1.00 60.34 H new ATOM 1290 N GLN A 89 -4.494 7.053 4.142 1.00 62.53 N ATOM 1291 CA GLN A 89 -5.342 8.228 4.112 1.00 41.03 C ATOM 1292 C GLN A 89 -4.808 9.211 5.134 1.00 54.41 C ATOM 1293 O GLN A 89 -4.279 8.801 6.170 1.00 12.05 O ATOM 1294 CB GLN A 89 -6.789 7.852 4.431 1.00 42.23 C ATOM 1295 CG GLN A 89 -7.445 7.069 3.295 1.00 0.45 C ATOM 1296 CD GLN A 89 -8.839 6.521 3.614 1.00 21.21 C ATOM 1297 OE1 GLN A 89 -9.134 6.101 4.728 1.00 32.21 O ATOM 1298 NE2 GLN A 89 -9.747 6.498 2.654 1.00 32.31 N ATOM 0 H GLN A 89 -4.443 6.617 5.063 1.00 62.53 H new ATOM 0 HA GLN A 89 -5.332 8.676 3.119 1.00 41.03 H new ATOM 0 HB2 GLN A 89 -6.815 7.256 5.343 1.00 42.23 H new ATOM 0 HB3 GLN A 89 -7.364 8.758 4.625 1.00 42.23 H new ATOM 0 HG2 GLN A 89 -7.516 7.716 2.420 1.00 0.45 H new ATOM 0 HG3 GLN A 89 -6.796 6.236 3.024 1.00 0.45 H new ATOM 0 HE21 GLN A 89 -9.514 6.844 1.723 1.00 32.31 H new ATOM 0 HE22 GLN A 89 -10.681 6.134 2.844 1.00 32.31 H new ATOM 1305 N ALA A 90 -4.961 10.494 4.823 1.00 61.54 N ATOM 1306 CA ALA A 90 -4.411 11.564 5.622 1.00 22.53 C ATOM 1307 C ALA A 90 -5.259 11.837 6.861 1.00 34.41 C ATOM 1308 O ALA A 90 -6.419 11.421 6.941 1.00 61.42 O ATOM 1309 CB ALA A 90 -4.281 12.822 4.757 1.00 35.12 C ATOM 0 H ALA A 90 -5.475 10.814 4.002 1.00 61.54 H new ATOM 0 HA ALA A 90 -3.425 11.264 5.976 1.00 22.53 H new ATOM 0 HB1 ALA A 90 -3.866 13.633 5.355 1.00 35.12 H new ATOM 0 HB2 ALA A 90 -3.620 12.618 3.915 1.00 35.12 H new ATOM 0 HB3 ALA A 90 -5.264 13.111 4.385 1.00 35.12 H new ATOM 1315 N GLU A 91 -4.709 12.637 7.777 1.00 3.25 N ATOM 1316 CA GLU A 91 -5.226 12.921 9.113 1.00 23.35 C ATOM 1317 C GLU A 91 -6.405 13.915 9.073 1.00 44.42 C ATOM 1318 O GLU A 91 -6.647 14.673 10.020 1.00 11.23 O ATOM 1319 CB GLU A 91 -4.058 13.427 9.982 1.00 64.50 C ATOM 1320 CG GLU A 91 -4.199 12.984 11.445 1.00 0.23 C ATOM 1321 CD GLU A 91 -3.136 13.631 12.333 1.00 61.20 C ATOM 1322 OE1 GLU A 91 -1.950 13.237 12.289 1.00 52.42 O ATOM 1323 OE2 GLU A 91 -3.479 14.588 13.070 1.00 35.25 O ATOM 0 H GLU A 91 -3.837 13.133 7.592 1.00 3.25 H new ATOM 0 HA GLU A 91 -5.633 12.011 9.554 1.00 23.35 H new ATOM 0 HB2 GLU A 91 -3.117 13.053 9.579 1.00 64.50 H new ATOM 0 HB3 GLU A 91 -4.015 14.515 9.935 1.00 64.50 H new ATOM 0 HG2 GLU A 91 -5.191 13.248 11.812 1.00 0.23 H new ATOM 0 HG3 GLU A 91 -4.115 11.899 11.507 1.00 0.23 H new ATOM 1328 N LYS A 92 -7.130 13.950 7.952 1.00 35.34 N ATOM 1329 CA LYS A 92 -8.151 14.936 7.610 1.00 24.55 C ATOM 1330 C LYS A 92 -9.547 14.334 7.533 1.00 61.53 C ATOM 1331 O LYS A 92 -10.509 15.059 7.266 1.00 15.33 O ATOM 1332 CB LYS A 92 -7.821 15.563 6.253 1.00 1.12 C ATOM 1333 CG LYS A 92 -6.399 16.149 6.211 1.00 40.40 C ATOM 1334 CD LYS A 92 -6.221 17.106 5.032 1.00 60.41 C ATOM 1335 CE LYS A 92 -4.815 17.705 5.069 1.00 73.54 C ATOM 1336 NZ LYS A 92 -4.673 18.844 4.145 1.00 3.23 N ATOM 0 H LYS A 92 -7.011 13.250 7.219 1.00 35.34 H new ATOM 0 HA LYS A 92 -8.149 15.683 8.404 1.00 24.55 H new ATOM 0 HB2 LYS A 92 -7.924 14.809 5.472 1.00 1.12 H new ATOM 0 HB3 LYS A 92 -8.543 16.350 6.034 1.00 1.12 H new ATOM 0 HG2 LYS A 92 -6.194 16.676 7.143 1.00 40.40 H new ATOM 0 HG3 LYS A 92 -5.673 15.339 6.136 1.00 40.40 H new ATOM 0 HD2 LYS A 92 -6.377 16.576 4.093 1.00 60.41 H new ATOM 0 HD3 LYS A 92 -6.967 17.899 5.078 1.00 60.41 H new ATOM 0 HE2 LYS A 92 -4.587 18.031 6.084 1.00 73.54 H new ATOM 0 HE3 LYS A 92 -4.087 16.936 4.810 1.00 73.54 H new ATOM 0 HZ1 LYS A 92 -4.008 19.536 4.546 1.00 3.23 H new ATOM 0 HZ2 LYS A 92 -4.311 18.506 3.230 1.00 3.23 H new ATOM 0 HZ3 LYS A 92 -5.599 19.295 4.005 1.00 3.23 H new ATOM 1346 N ASN A 93 -9.673 13.021 7.705 1.00 64.44 N ATOM 1347 CA ASN A 93 -10.980 12.372 7.708 1.00 55.03 C ATOM 1348 C ASN A 93 -11.602 12.351 9.106 1.00 22.33 C ATOM 1349 O ASN A 93 -12.751 11.943 9.241 1.00 20.42 O ATOM 1350 CB ASN A 93 -10.897 10.953 7.106 1.00 35.24 C ATOM 1351 CG ASN A 93 -10.880 10.969 5.584 1.00 12.12 C ATOM 1352 OD1 ASN A 93 -11.436 11.867 4.958 1.00 21.25 O ATOM 1353 ND2 ASN A 93 -10.277 9.991 4.937 1.00 1.02 N ATOM 0 H ASN A 93 -8.887 12.386 7.844 1.00 64.44 H new ATOM 0 HA ASN A 93 -11.640 12.965 7.074 1.00 55.03 H new ATOM 0 HB2 ASN A 93 -9.997 10.458 7.472 1.00 35.24 H new ATOM 0 HB3 ASN A 93 -11.747 10.364 7.451 1.00 35.24 H new ATOM 0 HD21 ASN A 93 -10.273 9.981 3.917 1.00 1.02 H new ATOM 0 HD22 ASN A 93 -9.815 9.245 5.456 1.00 1.02 H new ATOM 1359 N ARG A 94 -10.856 12.784 10.129 1.00 11.15 N ATOM 1360 CA ARG A 94 -11.098 12.568 11.556 1.00 3.02 C ATOM 1361 C ARG A 94 -11.482 11.130 11.799 1.00 15.14 C ATOM 1362 O ARG A 94 -12.523 10.849 12.439 1.00 63.33 O ATOM 1363 CB ARG A 94 -12.011 13.631 12.173 1.00 34.24 C ATOM 1364 CG ARG A 94 -11.452 15.048 11.964 1.00 60.32 C ATOM 1365 CD ARG A 94 -11.755 15.978 13.143 1.00 33.24 C ATOM 1366 NE ARG A 94 -10.919 15.689 14.322 1.00 0.45 N ATOM 1367 CZ ARG A 94 -10.915 16.395 15.458 1.00 2.24 C ATOM 1368 NH1 ARG A 94 -11.758 17.410 15.619 1.00 41.30 N ATOM 1369 NH2 ARG A 94 -10.051 16.077 16.413 1.00 20.24 N ATOM 0 H ARG A 94 -10.010 13.331 9.968 1.00 11.15 H new ATOM 0 HA ARG A 94 -10.172 12.719 12.111 1.00 3.02 H new ATOM 0 HB2 ARG A 94 -13.004 13.562 11.728 1.00 34.24 H new ATOM 0 HB3 ARG A 94 -12.126 13.438 13.240 1.00 34.24 H new ATOM 0 HG2 ARG A 94 -10.373 14.992 11.818 1.00 60.32 H new ATOM 0 HG3 ARG A 94 -11.875 15.471 11.053 1.00 60.32 H new ATOM 0 HD2 ARG A 94 -11.598 17.012 12.835 1.00 33.24 H new ATOM 0 HD3 ARG A 94 -12.806 15.883 13.415 1.00 33.24 H new ATOM 0 HE ARG A 94 -10.293 14.886 14.267 1.00 0.45 H new ATOM 0 HH11 ARG A 94 -12.411 17.653 14.875 1.00 41.30 H new ATOM 0 HH12 ARG A 94 -11.751 17.946 16.487 1.00 41.30 H new ATOM 0 HH21 ARG A 94 -9.401 15.303 16.276 1.00 20.24 H new ATOM 0 HH22 ARG A 94 -10.036 16.607 17.285 1.00 20.24 H new TER 1380 ARG A 94