USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 440 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 151:sc= 0.00331 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 59:sc= -0.0444 USER MOD Single : A 11 SER OG : rot -21:sc= 0.206! USER MOD Single : A 19 THR OG1 : rot 72:sc= 0.254 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 54:sc= 0.524 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.292 X(o=-0.29,f=-0.49) USER MOD Single : A 44 LYS NZ :NH3+ -148:sc= -0.162 (180deg=-0.884) USER MOD Single : A 45 GLN : amide:sc= -0.0152 X(o=-0.015,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.806 21.841 -5.909 1.00 0.00 N ATOM 2 CA MET A 1 -21.174 22.658 -4.834 1.00 0.00 C ATOM 3 C MET A 1 -19.813 22.064 -4.484 1.00 0.00 C ATOM 4 O MET A 1 -19.680 20.853 -4.308 1.00 0.00 O ATOM 5 CB MET A 1 -22.078 22.659 -3.600 1.00 0.00 C ATOM 6 CG MET A 1 -21.435 23.499 -2.495 1.00 0.00 C ATOM 7 SD MET A 1 -22.731 24.239 -1.470 1.00 0.00 S ATOM 8 CE MET A 1 -22.082 23.708 0.132 1.00 0.00 C ATOM 0 H1 MET A 1 -22.841 21.894 -5.822 1.00 0.00 H new ATOM 0 H2 MET A 1 -21.517 22.207 -6.839 1.00 0.00 H new ATOM 0 H3 MET A 1 -21.501 20.851 -5.817 1.00 0.00 H new ATOM 0 HA MET A 1 -21.040 23.683 -5.179 1.00 0.00 H new ATOM 0 HB2 MET A 1 -23.058 23.063 -3.855 1.00 0.00 H new ATOM 0 HB3 MET A 1 -22.235 21.639 -3.251 1.00 0.00 H new ATOM 0 HG2 MET A 1 -20.783 22.876 -1.883 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.812 24.279 -2.932 1.00 0.00 H new ATOM 0 HE1 MET A 1 -22.739 24.062 0.926 1.00 0.00 H new ATOM 0 HE2 MET A 1 -22.031 22.620 0.161 1.00 0.00 H new ATOM 0 HE3 MET A 1 -21.084 24.122 0.275 1.00 0.00 H new ATOM 20 N SER A 2 -18.805 22.925 -4.382 1.00 0.00 N ATOM 21 CA SER A 2 -17.458 22.474 -4.052 1.00 0.00 C ATOM 22 C SER A 2 -17.118 21.201 -4.818 1.00 0.00 C ATOM 23 O SER A 2 -17.411 20.095 -4.363 1.00 0.00 O ATOM 24 CB SER A 2 -17.349 22.211 -2.550 1.00 0.00 C ATOM 25 OG SER A 2 -15.977 22.150 -2.183 1.00 0.00 O ATOM 0 H SER A 2 -18.894 23.931 -4.522 1.00 0.00 H new ATOM 0 HA SER A 2 -16.753 23.256 -4.336 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.852 23.002 -1.993 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.847 21.276 -2.296 1.00 0.00 H new ATOM 0 HG SER A 2 -15.903 21.983 -1.220 1.00 0.00 H new ATOM 31 N GLU A 3 -16.498 21.366 -5.983 1.00 0.00 N ATOM 32 CA GLU A 3 -16.121 20.222 -6.807 1.00 0.00 C ATOM 33 C GLU A 3 -14.700 20.393 -7.342 1.00 0.00 C ATOM 34 O GLU A 3 -14.483 20.461 -8.551 1.00 0.00 O ATOM 35 CB GLU A 3 -17.097 20.077 -7.976 1.00 0.00 C ATOM 36 CG GLU A 3 -18.416 19.489 -7.470 1.00 0.00 C ATOM 37 CD GLU A 3 -18.463 17.993 -7.757 1.00 0.00 C ATOM 38 OE1 GLU A 3 -18.549 17.633 -8.919 1.00 0.00 O ATOM 39 OE2 GLU A 3 -18.414 17.225 -6.808 1.00 0.00 O ATOM 0 H GLU A 3 -16.248 22.274 -6.375 1.00 0.00 H new ATOM 0 HA GLU A 3 -16.159 19.324 -6.191 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -17.273 21.048 -8.439 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -16.669 19.431 -8.743 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -18.515 19.666 -6.399 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -19.256 19.987 -7.955 1.00 0.00 H new ATOM 46 N PRO A 4 -13.738 20.462 -6.463 1.00 0.00 N ATOM 47 CA PRO A 4 -12.308 20.629 -6.847 1.00 0.00 C ATOM 48 C PRO A 4 -11.708 19.342 -7.410 1.00 0.00 C ATOM 49 O PRO A 4 -10.888 19.378 -8.326 1.00 0.00 O ATOM 50 CB PRO A 4 -11.627 21.022 -5.536 1.00 0.00 C ATOM 51 CG PRO A 4 -12.486 20.454 -4.453 1.00 0.00 C ATOM 52 CD PRO A 4 -13.912 20.387 -5.004 1.00 0.00 C ATOM 0 HA PRO A 4 -12.179 21.368 -7.638 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.615 20.621 -5.484 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -11.546 22.105 -5.445 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -12.137 19.463 -4.164 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -12.446 21.079 -3.561 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -14.410 19.463 -4.709 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -14.522 21.211 -4.633 1.00 0.00 H new ATOM 60 N VAL A 5 -12.124 18.210 -6.852 1.00 0.00 N ATOM 61 CA VAL A 5 -11.622 16.917 -7.305 1.00 0.00 C ATOM 62 C VAL A 5 -11.994 16.677 -8.764 1.00 0.00 C ATOM 63 O VAL A 5 -11.506 15.735 -9.389 1.00 0.00 O ATOM 64 CB VAL A 5 -12.201 15.798 -6.440 1.00 0.00 C ATOM 65 CG1 VAL A 5 -11.937 16.105 -4.965 1.00 0.00 C ATOM 66 CG2 VAL A 5 -13.710 15.703 -6.677 1.00 0.00 C ATOM 0 H VAL A 5 -12.802 18.161 -6.091 1.00 0.00 H new ATOM 0 HA VAL A 5 -10.536 16.921 -7.215 1.00 0.00 H new ATOM 0 HB VAL A 5 -11.729 14.852 -6.705 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -12.350 15.307 -4.348 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -10.863 16.177 -4.795 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -12.410 17.051 -4.700 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -14.126 14.905 -6.061 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -14.180 16.650 -6.411 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -13.900 15.486 -7.728 1.00 0.00 H new ATOM 76 N SER A 6 -12.858 17.537 -9.299 1.00 0.00 N ATOM 77 CA SER A 6 -13.294 17.413 -10.686 1.00 0.00 C ATOM 78 C SER A 6 -12.840 18.620 -11.501 1.00 0.00 C ATOM 79 O SER A 6 -12.463 18.490 -12.665 1.00 0.00 O ATOM 80 CB SER A 6 -14.816 17.294 -10.747 1.00 0.00 C ATOM 81 OG SER A 6 -15.199 16.831 -12.035 1.00 0.00 O ATOM 0 H SER A 6 -13.268 18.323 -8.795 1.00 0.00 H new ATOM 0 HA SER A 6 -12.844 16.515 -11.109 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.170 16.605 -9.980 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.276 18.261 -10.544 1.00 0.00 H new ATOM 0 HG SER A 6 -16.175 16.752 -12.077 1.00 0.00 H new ATOM 87 N LEU A 7 -12.880 19.794 -10.880 1.00 0.00 N ATOM 88 CA LEU A 7 -12.468 21.018 -11.557 1.00 0.00 C ATOM 89 C LEU A 7 -11.042 21.393 -11.176 1.00 0.00 C ATOM 90 O LEU A 7 -10.539 20.978 -10.131 1.00 0.00 O ATOM 91 CB LEU A 7 -13.418 22.162 -11.187 1.00 0.00 C ATOM 92 CG LEU A 7 -14.170 22.631 -12.435 1.00 0.00 C ATOM 93 CD1 LEU A 7 -15.061 21.499 -12.958 1.00 0.00 C ATOM 94 CD2 LEU A 7 -15.041 23.838 -12.080 1.00 0.00 C ATOM 0 H LEU A 7 -13.191 19.924 -9.917 1.00 0.00 H new ATOM 0 HA LEU A 7 -12.506 20.845 -12.633 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -14.126 21.829 -10.428 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -12.855 22.990 -10.757 1.00 0.00 H new ATOM 0 HG LEU A 7 -13.451 22.910 -13.205 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -15.595 21.837 -13.846 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -14.443 20.637 -13.211 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -15.780 21.217 -12.189 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -15.577 24.173 -12.968 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -15.757 23.555 -11.308 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -14.410 24.646 -11.711 1.00 0.00 H new ATOM 106 N LEU A 8 -10.395 22.180 -12.029 1.00 0.00 N ATOM 107 CA LEU A 8 -9.025 22.604 -11.771 1.00 0.00 C ATOM 108 C LEU A 8 -8.999 23.730 -10.741 1.00 0.00 C ATOM 109 O LEU A 8 -9.310 24.879 -11.057 1.00 0.00 O ATOM 110 CB LEU A 8 -8.372 23.082 -13.069 1.00 0.00 C ATOM 111 CG LEU A 8 -7.841 21.877 -13.847 1.00 0.00 C ATOM 112 CD1 LEU A 8 -8.976 20.879 -14.080 1.00 0.00 C ATOM 113 CD2 LEU A 8 -7.288 22.344 -15.195 1.00 0.00 C ATOM 0 H LEU A 8 -10.794 22.535 -12.898 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.469 21.753 -11.378 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -9.096 23.628 -13.673 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.558 23.772 -12.846 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.047 21.397 -13.275 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.597 20.020 -14.634 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -9.370 20.546 -13.120 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -9.770 21.359 -14.652 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.909 21.486 -15.750 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.082 22.825 -15.767 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.478 23.055 -15.030 1.00 0.00 H new ATOM 125 N THR A 9 -8.625 23.392 -9.512 1.00 0.00 N ATOM 126 CA THR A 9 -8.559 24.384 -8.446 1.00 0.00 C ATOM 127 C THR A 9 -7.290 24.192 -7.618 1.00 0.00 C ATOM 128 O THR A 9 -7.335 23.677 -6.501 1.00 0.00 O ATOM 129 CB THR A 9 -9.783 24.257 -7.539 1.00 0.00 C ATOM 130 OG1 THR A 9 -9.988 22.889 -7.211 1.00 0.00 O ATOM 131 CG2 THR A 9 -11.014 24.802 -8.267 1.00 0.00 C ATOM 0 H THR A 9 -8.365 22.447 -9.231 1.00 0.00 H new ATOM 0 HA THR A 9 -8.542 25.376 -8.897 1.00 0.00 H new ATOM 0 HB THR A 9 -9.622 24.828 -6.624 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.193 22.539 -6.758 1.00 0.00 H new ATOM 0 HG21 THR A 9 -11.888 24.712 -7.622 1.00 0.00 H new ATOM 0 HG22 THR A 9 -10.854 25.851 -8.517 1.00 0.00 H new ATOM 0 HG23 THR A 9 -11.178 24.232 -9.181 1.00 0.00 H new ATOM 139 N PRO A 10 -6.168 24.596 -8.151 1.00 0.00 N ATOM 140 CA PRO A 10 -4.853 24.475 -7.456 1.00 0.00 C ATOM 141 C PRO A 10 -4.900 25.032 -6.036 1.00 0.00 C ATOM 142 O PRO A 10 -4.099 24.652 -5.183 1.00 0.00 O ATOM 143 CB PRO A 10 -3.898 25.291 -8.333 1.00 0.00 C ATOM 144 CG PRO A 10 -4.520 25.311 -9.690 1.00 0.00 C ATOM 145 CD PRO A 10 -6.030 25.208 -9.483 1.00 0.00 C ATOM 0 HA PRO A 10 -4.546 23.435 -7.342 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -3.774 26.301 -7.943 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -2.907 24.837 -8.362 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -4.264 26.229 -10.220 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -4.155 24.481 -10.295 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.506 26.188 -9.523 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -6.497 24.595 -10.254 1.00 0.00 H new ATOM 153 N SER A 11 -5.845 25.933 -5.792 1.00 0.00 N ATOM 154 CA SER A 11 -5.989 26.537 -4.471 1.00 0.00 C ATOM 155 C SER A 11 -6.486 25.509 -3.462 1.00 0.00 C ATOM 156 O SER A 11 -6.392 25.718 -2.252 1.00 0.00 O ATOM 157 CB SER A 11 -6.970 27.707 -4.536 1.00 0.00 C ATOM 158 OG SER A 11 -7.238 28.168 -3.219 1.00 0.00 O ATOM 0 H SER A 11 -6.518 26.260 -6.485 1.00 0.00 H new ATOM 0 HA SER A 11 -5.012 26.900 -4.150 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.552 28.514 -5.138 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.895 27.394 -5.020 1.00 0.00 H new ATOM 0 HG SER A 11 -7.022 27.462 -2.575 1.00 0.00 H new ATOM 164 N ASP A 12 -7.012 24.399 -3.968 1.00 0.00 N ATOM 165 CA ASP A 12 -7.521 23.340 -3.103 1.00 0.00 C ATOM 166 C ASP A 12 -6.594 22.130 -3.133 1.00 0.00 C ATOM 167 O ASP A 12 -6.385 21.470 -2.114 1.00 0.00 O ATOM 168 CB ASP A 12 -8.916 22.916 -3.559 1.00 0.00 C ATOM 169 CG ASP A 12 -9.975 23.608 -2.706 1.00 0.00 C ATOM 170 OD1 ASP A 12 -10.306 24.741 -3.015 1.00 0.00 O ATOM 171 OD2 ASP A 12 -10.434 22.999 -1.753 1.00 0.00 O ATOM 0 H ASP A 12 -7.097 24.209 -4.967 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.570 23.726 -2.085 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -9.058 23.172 -4.609 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.021 21.834 -3.478 1.00 0.00 H new ATOM 176 N LEU A 13 -6.041 21.842 -4.307 1.00 0.00 N ATOM 177 CA LEU A 13 -5.137 20.707 -4.457 1.00 0.00 C ATOM 178 C LEU A 13 -3.726 21.085 -4.031 1.00 0.00 C ATOM 179 O LEU A 13 -2.893 21.447 -4.861 1.00 0.00 O ATOM 180 CB LEU A 13 -5.122 20.238 -5.913 1.00 0.00 C ATOM 181 CG LEU A 13 -4.563 18.817 -5.987 1.00 0.00 C ATOM 182 CD1 LEU A 13 -5.704 17.811 -5.826 1.00 0.00 C ATOM 183 CD2 LEU A 13 -3.885 18.608 -7.342 1.00 0.00 C ATOM 0 H LEU A 13 -6.201 22.374 -5.162 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.493 19.899 -3.818 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.131 20.265 -6.325 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.513 20.911 -6.516 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.835 18.670 -5.189 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.306 16.798 -5.879 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.188 17.961 -4.861 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.433 17.956 -6.624 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.486 17.595 -7.397 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.613 18.755 -8.140 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.072 19.325 -7.457 1.00 0.00 H new ATOM 195 N ASP A 14 -3.469 21.001 -2.730 1.00 0.00 N ATOM 196 CA ASP A 14 -2.152 21.339 -2.200 1.00 0.00 C ATOM 197 C ASP A 14 -1.378 20.076 -1.823 1.00 0.00 C ATOM 198 O ASP A 14 -1.957 18.994 -1.714 1.00 0.00 O ATOM 199 CB ASP A 14 -2.297 22.239 -0.972 1.00 0.00 C ATOM 200 CG ASP A 14 -3.772 22.485 -0.675 1.00 0.00 C ATOM 201 OD1 ASP A 14 -4.363 23.302 -1.362 1.00 0.00 O ATOM 202 OD2 ASP A 14 -4.289 21.855 0.232 1.00 0.00 O ATOM 0 H ASP A 14 -4.148 20.705 -2.028 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.598 21.869 -2.975 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.817 21.773 -0.111 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.789 23.188 -1.145 1.00 0.00 H new ATOM 207 N PRO A 15 -0.090 20.197 -1.621 1.00 0.00 N ATOM 208 CA PRO A 15 0.776 19.045 -1.241 1.00 0.00 C ATOM 209 C PRO A 15 0.123 18.156 -0.186 1.00 0.00 C ATOM 210 O PRO A 15 0.202 16.929 -0.261 1.00 0.00 O ATOM 211 CB PRO A 15 2.035 19.715 -0.686 1.00 0.00 C ATOM 212 CG PRO A 15 2.106 21.055 -1.342 1.00 0.00 C ATOM 213 CD PRO A 15 0.683 21.445 -1.735 1.00 0.00 C ATOM 0 HA PRO A 15 0.972 18.382 -2.084 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.980 19.813 0.398 1.00 0.00 H new ATOM 0 HB3 PRO A 15 2.923 19.123 -0.908 1.00 0.00 H new ATOM 0 HG2 PRO A 15 2.533 21.793 -0.663 1.00 0.00 H new ATOM 0 HG3 PRO A 15 2.751 21.019 -2.220 1.00 0.00 H new ATOM 0 HD2 PRO A 15 0.288 22.218 -1.076 1.00 0.00 H new ATOM 0 HD3 PRO A 15 0.647 21.842 -2.749 1.00 0.00 H new ATOM 221 N LEU A 16 -0.519 18.781 0.795 1.00 0.00 N ATOM 222 CA LEU A 16 -1.182 18.034 1.858 1.00 0.00 C ATOM 223 C LEU A 16 -2.269 17.134 1.280 1.00 0.00 C ATOM 224 O LEU A 16 -2.332 15.944 1.592 1.00 0.00 O ATOM 225 CB LEU A 16 -1.805 19.001 2.867 1.00 0.00 C ATOM 226 CG LEU A 16 -0.700 19.607 3.740 1.00 0.00 C ATOM 227 CD1 LEU A 16 -1.100 21.020 4.176 1.00 0.00 C ATOM 228 CD2 LEU A 16 -0.500 18.733 4.981 1.00 0.00 C ATOM 0 H LEU A 16 -0.594 19.795 0.877 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.438 17.415 2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.345 19.791 2.345 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.530 18.477 3.490 1.00 0.00 H new ATOM 0 HG LEU A 16 0.226 19.655 3.168 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.311 21.446 4.796 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.247 21.645 3.295 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.027 20.976 4.748 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.285 19.161 5.605 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.430 18.688 5.548 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.213 17.727 4.675 1.00 0.00 H new ATOM 240 N ILE A 17 -3.121 17.710 0.442 1.00 0.00 N ATOM 241 CA ILE A 17 -4.204 16.950 -0.169 1.00 0.00 C ATOM 242 C ILE A 17 -3.646 15.795 -0.993 1.00 0.00 C ATOM 243 O ILE A 17 -4.182 14.688 -0.974 1.00 0.00 O ATOM 244 CB ILE A 17 -5.049 17.861 -1.065 1.00 0.00 C ATOM 245 CG1 ILE A 17 -6.047 18.642 -0.203 1.00 0.00 C ATOM 246 CG2 ILE A 17 -5.805 17.016 -2.095 1.00 0.00 C ATOM 247 CD1 ILE A 17 -7.324 17.817 0.004 1.00 0.00 C ATOM 0 H ILE A 17 -3.084 18.693 0.171 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.831 16.546 0.626 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.397 18.561 -1.587 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -5.598 18.880 0.761 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -6.291 19.590 -0.683 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.405 17.668 -2.730 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.091 16.467 -2.709 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -6.457 16.311 -1.579 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.026 18.381 0.618 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.779 17.602 -0.963 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -7.075 16.881 0.504 1.00 0.00 H new ATOM 259 N LEU A 18 -2.569 16.063 -1.720 1.00 0.00 N ATOM 260 CA LEU A 18 -1.948 15.040 -2.551 1.00 0.00 C ATOM 261 C LEU A 18 -1.503 13.858 -1.697 1.00 0.00 C ATOM 262 O LEU A 18 -1.784 12.704 -2.021 1.00 0.00 O ATOM 263 CB LEU A 18 -0.739 15.622 -3.285 1.00 0.00 C ATOM 264 CG LEU A 18 -0.907 15.419 -4.792 1.00 0.00 C ATOM 265 CD1 LEU A 18 -2.062 16.284 -5.304 1.00 0.00 C ATOM 266 CD2 LEU A 18 0.385 15.820 -5.506 1.00 0.00 C ATOM 0 H LEU A 18 -2.110 16.973 -1.751 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.682 14.696 -3.279 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.641 16.684 -3.060 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.175 15.137 -2.942 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.126 14.370 -4.993 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.179 16.137 -6.378 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.983 15.998 -4.796 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.847 17.334 -5.103 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.267 15.676 -6.580 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.603 16.868 -5.302 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.207 15.202 -5.145 1.00 0.00 H new ATOM 278 N THR A 19 -0.807 14.152 -0.606 1.00 0.00 N ATOM 279 CA THR A 19 -0.327 13.102 0.287 1.00 0.00 C ATOM 280 C THR A 19 -1.484 12.227 0.755 1.00 0.00 C ATOM 281 O THR A 19 -1.374 11.002 0.790 1.00 0.00 O ATOM 282 CB THR A 19 0.365 13.727 1.501 1.00 0.00 C ATOM 283 OG1 THR A 19 1.503 14.461 1.069 1.00 0.00 O ATOM 284 CG2 THR A 19 0.803 12.624 2.465 1.00 0.00 C ATOM 0 H THR A 19 -0.563 15.100 -0.319 1.00 0.00 H new ATOM 0 HA THR A 19 0.384 12.483 -0.259 1.00 0.00 H new ATOM 0 HB THR A 19 -0.328 14.397 2.010 1.00 0.00 H new ATOM 0 HG1 THR A 19 1.211 15.275 0.607 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.296 13.070 3.329 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.070 12.062 2.796 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.496 11.953 1.959 1.00 0.00 H new ATOM 292 N LEU A 20 -2.594 12.865 1.115 1.00 0.00 N ATOM 293 CA LEU A 20 -3.767 12.133 1.582 1.00 0.00 C ATOM 294 C LEU A 20 -4.275 11.189 0.497 1.00 0.00 C ATOM 295 O LEU A 20 -4.616 10.038 0.772 1.00 0.00 O ATOM 296 CB LEU A 20 -4.876 13.116 1.967 1.00 0.00 C ATOM 297 CG LEU A 20 -5.961 12.378 2.753 1.00 0.00 C ATOM 298 CD1 LEU A 20 -5.738 12.589 4.251 1.00 0.00 C ATOM 299 CD2 LEU A 20 -7.335 12.925 2.361 1.00 0.00 C ATOM 0 H LEU A 20 -2.706 13.879 1.093 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.483 11.546 2.455 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.465 13.927 2.568 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.304 13.567 1.072 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.914 11.313 2.525 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -6.511 12.063 4.812 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.759 12.201 4.531 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.785 13.654 4.479 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.109 12.400 2.921 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.381 13.990 2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -7.495 12.776 1.293 1.00 0.00 H new ATOM 311 N SER A 21 -4.323 11.682 -0.735 1.00 0.00 N ATOM 312 CA SER A 21 -4.791 10.873 -1.854 1.00 0.00 C ATOM 313 C SER A 21 -3.813 9.737 -2.142 1.00 0.00 C ATOM 314 O SER A 21 -4.219 8.621 -2.465 1.00 0.00 O ATOM 315 CB SER A 21 -4.946 11.744 -3.100 1.00 0.00 C ATOM 316 OG SER A 21 -6.237 12.338 -3.100 1.00 0.00 O ATOM 0 H SER A 21 -4.046 12.632 -0.984 1.00 0.00 H new ATOM 0 HA SER A 21 -5.758 10.445 -1.588 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.177 12.517 -3.115 1.00 0.00 H new ATOM 0 HB3 SER A 21 -4.810 11.142 -3.998 1.00 0.00 H new ATOM 0 HG SER A 21 -6.339 12.899 -3.897 1.00 0.00 H new ATOM 322 N LEU A 22 -2.524 10.031 -2.023 1.00 0.00 N ATOM 323 CA LEU A 22 -1.496 9.029 -2.274 1.00 0.00 C ATOM 324 C LEU A 22 -1.653 7.853 -1.317 1.00 0.00 C ATOM 325 O LEU A 22 -1.603 6.694 -1.728 1.00 0.00 O ATOM 326 CB LEU A 22 -0.106 9.649 -2.102 1.00 0.00 C ATOM 327 CG LEU A 22 0.752 9.323 -3.328 1.00 0.00 C ATOM 328 CD1 LEU A 22 0.205 10.061 -4.553 1.00 0.00 C ATOM 329 CD2 LEU A 22 2.194 9.766 -3.069 1.00 0.00 C ATOM 0 H LEU A 22 -2.167 10.949 -1.756 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.607 8.669 -3.297 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.190 10.729 -1.980 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.368 9.262 -1.200 1.00 0.00 H new ATOM 0 HG LEU A 22 0.725 8.249 -3.513 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.818 9.826 -5.423 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.822 9.747 -4.738 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.229 11.135 -4.371 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.807 9.535 -3.940 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.217 10.840 -2.883 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.586 9.239 -2.199 1.00 0.00 H new ATOM 341 N ILE A 23 -1.838 8.159 -0.038 1.00 0.00 N ATOM 342 CA ILE A 23 -1.996 7.117 0.967 1.00 0.00 C ATOM 343 C ILE A 23 -3.199 6.244 0.643 1.00 0.00 C ATOM 344 O ILE A 23 -3.133 5.019 0.743 1.00 0.00 O ATOM 345 CB ILE A 23 -2.175 7.744 2.353 1.00 0.00 C ATOM 346 CG1 ILE A 23 -0.822 8.264 2.854 1.00 0.00 C ATOM 347 CG2 ILE A 23 -2.722 6.699 3.328 1.00 0.00 C ATOM 348 CD1 ILE A 23 -0.058 7.146 3.575 1.00 0.00 C ATOM 0 H ILE A 23 -1.882 9.111 0.324 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.099 6.498 0.965 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.881 8.572 2.288 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.233 8.634 2.015 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.975 9.105 3.531 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.847 7.150 4.312 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.685 6.336 2.970 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.023 5.865 3.397 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.901 7.528 3.926 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.642 6.796 4.426 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.111 6.318 2.886 1.00 0.00 H new ATOM 360 N LEU A 24 -4.299 6.882 0.262 1.00 0.00 N ATOM 361 CA LEU A 24 -5.513 6.149 -0.065 1.00 0.00 C ATOM 362 C LEU A 24 -5.272 5.211 -1.241 1.00 0.00 C ATOM 363 O LEU A 24 -5.710 4.062 -1.231 1.00 0.00 O ATOM 364 CB LEU A 24 -6.642 7.130 -0.408 1.00 0.00 C ATOM 365 CG LEU A 24 -7.740 7.066 0.658 1.00 0.00 C ATOM 366 CD1 LEU A 24 -8.338 5.656 0.694 1.00 0.00 C ATOM 367 CD2 LEU A 24 -7.138 7.405 2.024 1.00 0.00 C ATOM 0 H LEU A 24 -4.375 7.895 0.173 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.802 5.556 0.802 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.246 8.143 -0.472 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.059 6.888 -1.385 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.525 7.783 0.418 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.119 5.611 1.453 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.764 5.417 -0.280 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.557 4.935 0.935 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.916 7.361 2.786 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.354 6.687 2.264 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.715 8.409 1.996 1.00 0.00 H new ATOM 379 N VAL A 25 -4.575 5.710 -2.253 1.00 0.00 N ATOM 380 CA VAL A 25 -4.282 4.905 -3.432 1.00 0.00 C ATOM 381 C VAL A 25 -3.401 3.717 -3.060 1.00 0.00 C ATOM 382 O VAL A 25 -3.633 2.594 -3.511 1.00 0.00 O ATOM 383 CB VAL A 25 -3.574 5.760 -4.485 1.00 0.00 C ATOM 384 CG1 VAL A 25 -3.226 4.898 -5.700 1.00 0.00 C ATOM 385 CG2 VAL A 25 -4.498 6.900 -4.919 1.00 0.00 C ATOM 0 H VAL A 25 -4.205 6.660 -2.282 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.222 4.533 -3.840 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.659 6.172 -4.060 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.722 5.510 -6.448 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.568 4.085 -5.393 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.140 4.484 -6.126 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.995 7.510 -5.669 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.413 6.486 -5.342 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.745 7.517 -4.055 1.00 0.00 H new ATOM 395 N VAL A 26 -2.389 3.972 -2.237 1.00 0.00 N ATOM 396 CA VAL A 26 -1.478 2.915 -1.811 1.00 0.00 C ATOM 397 C VAL A 26 -2.249 1.775 -1.153 1.00 0.00 C ATOM 398 O VAL A 26 -2.077 0.610 -1.511 1.00 0.00 O ATOM 399 CB VAL A 26 -0.451 3.475 -0.827 1.00 0.00 C ATOM 400 CG1 VAL A 26 0.315 2.323 -0.176 1.00 0.00 C ATOM 401 CG2 VAL A 26 0.531 4.381 -1.573 1.00 0.00 C ATOM 0 H VAL A 26 -2.180 4.894 -1.854 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.963 2.529 -2.691 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.965 4.051 -0.057 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.047 2.723 0.525 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.383 1.677 0.357 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.828 1.746 -0.946 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.263 4.780 -0.871 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.044 3.805 -2.344 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.013 5.204 -2.036 1.00 0.00 H new ATOM 411 N ILE A 27 -3.096 2.120 -0.189 1.00 0.00 N ATOM 412 CA ILE A 27 -3.886 1.116 0.512 1.00 0.00 C ATOM 413 C ILE A 27 -4.702 0.295 -0.480 1.00 0.00 C ATOM 414 O ILE A 27 -4.796 -0.926 -0.358 1.00 0.00 O ATOM 415 CB ILE A 27 -4.824 1.796 1.510 1.00 0.00 C ATOM 416 CG1 ILE A 27 -4.057 2.107 2.798 1.00 0.00 C ATOM 417 CG2 ILE A 27 -5.995 0.865 1.830 1.00 0.00 C ATOM 418 CD1 ILE A 27 -4.857 3.099 3.643 1.00 0.00 C ATOM 0 H ILE A 27 -3.252 3.079 0.122 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.208 0.451 1.047 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.204 2.721 1.077 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.885 1.190 3.361 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -3.078 2.523 2.559 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.662 1.351 2.541 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.542 0.640 0.914 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.616 -0.061 2.263 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.310 3.320 4.560 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -5.007 4.020 3.079 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.825 2.666 3.893 1.00 0.00 H new ATOM 430 N LEU A 28 -5.290 0.972 -1.461 1.00 0.00 N ATOM 431 CA LEU A 28 -6.096 0.295 -2.468 1.00 0.00 C ATOM 432 C LEU A 28 -5.288 -0.796 -3.159 1.00 0.00 C ATOM 433 O LEU A 28 -5.742 -1.933 -3.286 1.00 0.00 O ATOM 434 CB LEU A 28 -6.588 1.308 -3.505 1.00 0.00 C ATOM 435 CG LEU A 28 -8.120 1.278 -3.567 1.00 0.00 C ATOM 436 CD1 LEU A 28 -8.618 2.387 -4.495 1.00 0.00 C ATOM 437 CD2 LEU A 28 -8.590 -0.082 -4.100 1.00 0.00 C ATOM 0 H LEU A 28 -5.224 1.983 -1.579 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.952 -0.166 -1.974 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.244 2.308 -3.242 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.170 1.074 -4.484 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.522 1.433 -2.566 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.707 2.364 -4.538 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.290 3.354 -4.115 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.212 2.234 -5.495 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -9.679 -0.099 -4.143 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.185 -0.241 -5.100 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.240 -0.873 -3.437 1.00 0.00 H new ATOM 449 N VAL A 29 -4.085 -0.444 -3.600 1.00 0.00 N ATOM 450 CA VAL A 29 -3.220 -1.402 -4.278 1.00 0.00 C ATOM 451 C VAL A 29 -2.787 -2.507 -3.319 1.00 0.00 C ATOM 452 O VAL A 29 -2.766 -3.683 -3.679 1.00 0.00 O ATOM 453 CB VAL A 29 -1.983 -0.691 -4.827 1.00 0.00 C ATOM 454 CG1 VAL A 29 -1.134 -1.685 -5.620 1.00 0.00 C ATOM 455 CG2 VAL A 29 -2.420 0.453 -5.745 1.00 0.00 C ATOM 0 H VAL A 29 -3.689 0.491 -3.501 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.780 -1.848 -5.100 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.396 -0.291 -4.000 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.252 -1.179 -6.012 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.824 -2.501 -4.967 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.720 -2.085 -6.447 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.539 0.961 -6.137 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.006 0.052 -6.572 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.026 1.161 -5.180 1.00 0.00 H new ATOM 465 N LEU A 30 -2.441 -2.118 -2.097 1.00 0.00 N ATOM 466 CA LEU A 30 -2.009 -3.084 -1.093 1.00 0.00 C ATOM 467 C LEU A 30 -3.119 -4.085 -0.798 1.00 0.00 C ATOM 468 O LEU A 30 -2.874 -5.288 -0.696 1.00 0.00 O ATOM 469 CB LEU A 30 -1.616 -2.360 0.197 1.00 0.00 C ATOM 470 CG LEU A 30 -0.248 -2.857 0.666 1.00 0.00 C ATOM 471 CD1 LEU A 30 0.132 -2.149 1.968 1.00 0.00 C ATOM 472 CD2 LEU A 30 -0.310 -4.368 0.910 1.00 0.00 C ATOM 0 H LEU A 30 -2.451 -1.149 -1.779 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.145 -3.622 -1.484 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.585 -1.284 0.027 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.364 -2.539 0.969 1.00 0.00 H new ATOM 0 HG LEU A 30 0.498 -2.641 -0.099 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.107 -2.503 2.303 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.175 -1.073 1.798 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.615 -2.366 2.732 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.665 -4.723 1.244 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.056 -4.583 1.675 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.583 -4.875 -0.015 1.00 0.00 H new ATOM 484 N LEU A 31 -4.341 -3.581 -0.658 1.00 0.00 N ATOM 485 CA LEU A 31 -5.483 -4.440 -0.373 1.00 0.00 C ATOM 486 C LEU A 31 -5.671 -5.466 -1.485 1.00 0.00 C ATOM 487 O LEU A 31 -5.894 -6.647 -1.220 1.00 0.00 O ATOM 488 CB LEU A 31 -6.752 -3.593 -0.236 1.00 0.00 C ATOM 489 CG LEU A 31 -7.677 -4.216 0.812 1.00 0.00 C ATOM 490 CD1 LEU A 31 -8.941 -3.369 0.949 1.00 0.00 C ATOM 491 CD2 LEU A 31 -8.062 -5.633 0.376 1.00 0.00 C ATOM 0 H LEU A 31 -4.564 -2.589 -0.737 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.295 -4.966 0.563 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.492 -2.575 0.054 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.264 -3.530 -1.196 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.160 -4.256 1.771 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.598 -3.814 1.696 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.671 -2.360 1.259 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.457 -3.328 -0.010 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.721 -6.077 1.122 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.577 -5.591 -0.584 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.162 -6.241 0.279 1.00 0.00 H new ATOM 503 N THR A 32 -5.583 -5.009 -2.727 1.00 0.00 N ATOM 504 CA THR A 32 -5.751 -5.901 -3.866 1.00 0.00 C ATOM 505 C THR A 32 -4.743 -7.044 -3.805 1.00 0.00 C ATOM 506 O THR A 32 -5.097 -8.207 -3.993 1.00 0.00 O ATOM 507 CB THR A 32 -5.560 -5.127 -5.169 1.00 0.00 C ATOM 508 OG1 THR A 32 -4.772 -3.972 -4.920 1.00 0.00 O ATOM 509 CG2 THR A 32 -6.921 -4.704 -5.727 1.00 0.00 C ATOM 0 H THR A 32 -5.398 -4.036 -2.970 1.00 0.00 H new ATOM 0 HA THR A 32 -6.759 -6.314 -3.831 1.00 0.00 H new ATOM 0 HB THR A 32 -5.057 -5.765 -5.896 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.940 -4.234 -4.473 1.00 0.00 H new ATOM 0 HG21 THR A 32 -6.778 -4.152 -6.656 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.526 -5.590 -5.920 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.430 -4.068 -5.002 1.00 0.00 H new ATOM 517 N VAL A 33 -3.484 -6.704 -3.543 1.00 0.00 N ATOM 518 CA VAL A 33 -2.435 -7.713 -3.458 1.00 0.00 C ATOM 519 C VAL A 33 -2.811 -8.789 -2.446 1.00 0.00 C ATOM 520 O VAL A 33 -2.730 -9.982 -2.735 1.00 0.00 O ATOM 521 CB VAL A 33 -1.115 -7.059 -3.045 1.00 0.00 C ATOM 522 CG1 VAL A 33 -0.076 -8.143 -2.754 1.00 0.00 C ATOM 523 CG2 VAL A 33 -0.614 -6.163 -4.181 1.00 0.00 C ATOM 0 H VAL A 33 -3.168 -5.747 -3.387 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.319 -8.176 -4.438 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.272 -6.458 -2.149 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.864 -7.676 -2.460 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.433 -8.781 -1.946 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.082 -8.745 -3.649 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.327 -5.696 -3.888 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.457 -6.764 -5.077 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.354 -5.390 -4.388 1.00 0.00 H new ATOM 533 N LEU A 34 -3.224 -8.359 -1.259 1.00 0.00 N ATOM 534 CA LEU A 34 -3.612 -9.296 -0.211 1.00 0.00 C ATOM 535 C LEU A 34 -4.714 -10.223 -0.708 1.00 0.00 C ATOM 536 O LEU A 34 -4.719 -11.413 -0.397 1.00 0.00 O ATOM 537 CB LEU A 34 -4.102 -8.527 1.018 1.00 0.00 C ATOM 538 CG LEU A 34 -2.916 -8.181 1.926 1.00 0.00 C ATOM 539 CD1 LEU A 34 -3.135 -6.806 2.555 1.00 0.00 C ATOM 540 CD2 LEU A 34 -2.804 -9.236 3.030 1.00 0.00 C ATOM 0 H LEU A 34 -3.299 -7.375 -0.999 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.743 -9.896 0.059 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.611 -7.615 0.707 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.828 -9.126 1.567 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.998 -8.165 1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.291 -6.562 3.200 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.220 -6.056 1.769 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.051 -6.818 3.146 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.962 -8.995 3.679 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.723 -9.248 3.617 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.647 -10.217 2.581 1.00 0.00 H new ATOM 552 N ALA A 35 -5.645 -9.672 -1.479 1.00 0.00 N ATOM 553 CA ALA A 35 -6.746 -10.468 -2.008 1.00 0.00 C ATOM 554 C ALA A 35 -6.226 -11.533 -2.968 1.00 0.00 C ATOM 555 O ALA A 35 -6.532 -12.717 -2.823 1.00 0.00 O ATOM 556 CB ALA A 35 -7.739 -9.562 -2.735 1.00 0.00 C ATOM 0 H ALA A 35 -5.660 -8.689 -1.749 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.247 -10.962 -1.175 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -8.559 -10.163 -3.128 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -8.133 -8.821 -2.039 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -7.234 -9.055 -3.557 1.00 0.00 H new ATOM 562 N LEU A 36 -5.442 -11.102 -3.948 1.00 0.00 N ATOM 563 CA LEU A 36 -4.885 -12.026 -4.930 1.00 0.00 C ATOM 564 C LEU A 36 -4.030 -13.083 -4.242 1.00 0.00 C ATOM 565 O LEU A 36 -4.018 -14.246 -4.644 1.00 0.00 O ATOM 566 CB LEU A 36 -4.037 -11.260 -5.947 1.00 0.00 C ATOM 567 CG LEU A 36 -3.923 -12.076 -7.237 1.00 0.00 C ATOM 568 CD1 LEU A 36 -5.034 -11.663 -8.203 1.00 0.00 C ATOM 569 CD2 LEU A 36 -2.561 -11.817 -7.884 1.00 0.00 C ATOM 0 H LEU A 36 -5.178 -10.126 -4.085 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.708 -12.520 -5.446 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.489 -10.291 -6.156 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.045 -11.067 -5.538 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.020 -13.137 -7.006 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.952 -12.244 -9.121 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.004 -11.847 -7.742 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.938 -10.602 -8.435 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.478 -12.398 -8.803 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.464 -10.756 -8.115 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.769 -12.113 -7.196 1.00 0.00 H new ATOM 581 N LEU A 37 -3.308 -12.671 -3.207 1.00 0.00 N ATOM 582 CA LEU A 37 -2.450 -13.592 -2.477 1.00 0.00 C ATOM 583 C LEU A 37 -3.278 -14.672 -1.793 1.00 0.00 C ATOM 584 O LEU A 37 -2.948 -15.855 -1.863 1.00 0.00 O ATOM 585 CB LEU A 37 -1.631 -12.827 -1.428 1.00 0.00 C ATOM 586 CG LEU A 37 -0.162 -12.760 -1.858 1.00 0.00 C ATOM 587 CD1 LEU A 37 0.431 -14.173 -1.908 1.00 0.00 C ATOM 588 CD2 LEU A 37 -0.068 -12.113 -3.244 1.00 0.00 C ATOM 0 H LEU A 37 -3.300 -11.713 -2.857 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.774 -14.068 -3.188 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.030 -11.820 -1.307 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.713 -13.321 -0.460 1.00 0.00 H new ATOM 0 HG LEU A 37 0.398 -12.164 -1.138 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.476 -14.119 -2.214 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.366 -14.630 -0.921 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.126 -14.776 -2.625 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.976 -12.064 -3.553 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.631 -12.709 -3.963 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.482 -11.106 -3.204 1.00 0.00 H new ATOM 600 N SER A 38 -4.351 -14.258 -1.133 1.00 0.00 N ATOM 601 CA SER A 38 -5.217 -15.201 -0.440 1.00 0.00 C ATOM 602 C SER A 38 -5.757 -16.244 -1.413 1.00 0.00 C ATOM 603 O SER A 38 -5.850 -17.426 -1.082 1.00 0.00 O ATOM 604 CB SER A 38 -6.382 -14.455 0.210 1.00 0.00 C ATOM 605 OG SER A 38 -6.856 -15.203 1.322 1.00 0.00 O ATOM 0 H SER A 38 -4.641 -13.283 -1.063 1.00 0.00 H new ATOM 0 HA SER A 38 -4.634 -15.706 0.330 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.060 -13.465 0.533 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.184 -14.309 -0.513 1.00 0.00 H new ATOM 0 HG SER A 38 -7.602 -14.727 1.742 1.00 0.00 H new ATOM 611 N HIS A 39 -6.110 -15.797 -2.616 1.00 0.00 N ATOM 612 CA HIS A 39 -6.640 -16.701 -3.630 1.00 0.00 C ATOM 613 C HIS A 39 -5.574 -17.699 -4.072 1.00 0.00 C ATOM 614 O HIS A 39 -5.852 -18.890 -4.225 1.00 0.00 O ATOM 615 CB HIS A 39 -7.125 -15.900 -4.841 1.00 0.00 C ATOM 616 CG HIS A 39 -8.628 -15.943 -4.901 1.00 0.00 C ATOM 617 ND1 HIS A 39 -9.340 -17.122 -4.744 1.00 0.00 N ATOM 618 CD2 HIS A 39 -9.567 -14.962 -5.102 1.00 0.00 C ATOM 619 CE1 HIS A 39 -10.648 -16.824 -4.850 1.00 0.00 C ATOM 620 NE2 HIS A 39 -10.841 -15.520 -5.070 1.00 0.00 N ATOM 0 H HIS A 39 -6.039 -14.823 -2.910 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.476 -17.250 -3.197 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -6.783 -14.868 -4.769 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -6.702 -16.313 -5.757 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.350 -13.916 -5.261 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.444 -17.549 -4.767 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -11.732 -15.037 -5.189 1.00 0.00 H new ATOM 628 N ARG A 40 -4.357 -17.207 -4.275 1.00 0.00 N ATOM 629 CA ARG A 40 -3.258 -18.066 -4.699 1.00 0.00 C ATOM 630 C ARG A 40 -2.890 -19.052 -3.594 1.00 0.00 C ATOM 631 O ARG A 40 -2.642 -20.229 -3.857 1.00 0.00 O ATOM 632 CB ARG A 40 -2.037 -17.214 -5.052 1.00 0.00 C ATOM 633 CG ARG A 40 -1.643 -17.464 -6.509 1.00 0.00 C ATOM 634 CD ARG A 40 -0.359 -16.698 -6.830 1.00 0.00 C ATOM 635 NE ARG A 40 -0.531 -15.911 -8.045 1.00 0.00 N ATOM 636 CZ ARG A 40 -0.398 -16.463 -9.246 1.00 0.00 C ATOM 637 NH1 ARG A 40 -0.108 -17.731 -9.354 1.00 0.00 N ATOM 638 NH2 ARG A 40 -0.558 -15.738 -10.321 1.00 0.00 N ATOM 0 H ARG A 40 -4.108 -16.225 -4.154 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.578 -18.626 -5.578 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.261 -16.158 -4.901 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.205 -17.461 -4.392 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.495 -18.530 -6.679 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.445 -17.144 -7.174 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.100 -16.043 -5.998 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.468 -17.397 -6.955 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.757 -14.919 -7.972 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.017 -18.299 -8.516 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.006 -18.154 -10.277 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.785 -14.747 -10.239 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.456 -16.163 -11.243 1.00 0.00 H new ATOM 652 N ARG A 41 -2.858 -18.563 -2.358 1.00 0.00 N ATOM 653 CA ARG A 41 -2.518 -19.409 -1.221 1.00 0.00 C ATOM 654 C ARG A 41 -3.434 -20.630 -1.169 1.00 0.00 C ATOM 655 O ARG A 41 -2.973 -21.756 -0.973 1.00 0.00 O ATOM 656 CB ARG A 41 -2.649 -18.616 0.079 1.00 0.00 C ATOM 657 CG ARG A 41 -1.955 -19.373 1.213 1.00 0.00 C ATOM 658 CD ARG A 41 -2.317 -18.731 2.554 1.00 0.00 C ATOM 659 NE ARG A 41 -3.762 -18.748 2.746 1.00 0.00 N ATOM 660 CZ ARG A 41 -4.349 -17.925 3.611 1.00 0.00 C ATOM 661 NH1 ARG A 41 -3.631 -17.086 4.304 1.00 0.00 N ATOM 662 NH2 ARG A 41 -5.644 -17.959 3.766 1.00 0.00 N ATOM 0 H ARG A 41 -3.062 -17.592 -2.120 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.488 -19.745 -1.338 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.203 -17.628 -0.039 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.701 -18.464 0.320 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -2.259 -20.420 1.205 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.875 -19.354 1.069 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.828 -19.269 3.367 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.951 -17.705 2.585 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.332 -19.401 2.209 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.619 -17.060 4.183 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.082 -16.455 4.967 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.205 -18.616 3.224 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.095 -17.328 4.429 1.00 0.00 H new ATOM 676 N ALA A 42 -4.730 -20.399 -1.346 1.00 0.00 N ATOM 677 CA ALA A 42 -5.699 -21.487 -1.318 1.00 0.00 C ATOM 678 C ALA A 42 -5.477 -22.431 -2.496 1.00 0.00 C ATOM 679 O ALA A 42 -5.376 -23.645 -2.321 1.00 0.00 O ATOM 680 CB ALA A 42 -7.120 -20.923 -1.375 1.00 0.00 C ATOM 0 H ALA A 42 -5.131 -19.476 -1.509 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.566 -22.043 -0.390 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.838 -21.743 -1.354 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.288 -20.271 -0.517 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.248 -20.352 -2.295 1.00 0.00 H new ATOM 686 N LEU A 43 -5.402 -21.863 -3.693 1.00 0.00 N ATOM 687 CA LEU A 43 -5.191 -22.665 -4.895 1.00 0.00 C ATOM 688 C LEU A 43 -4.053 -23.656 -4.686 1.00 0.00 C ATOM 689 O LEU A 43 -4.139 -24.811 -5.099 1.00 0.00 O ATOM 690 CB LEU A 43 -4.864 -21.754 -6.080 1.00 0.00 C ATOM 691 CG LEU A 43 -6.022 -21.770 -7.079 1.00 0.00 C ATOM 692 CD1 LEU A 43 -7.278 -21.206 -6.414 1.00 0.00 C ATOM 693 CD2 LEU A 43 -5.660 -20.910 -8.293 1.00 0.00 C ATOM 0 H LEU A 43 -5.483 -20.860 -3.859 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.106 -23.219 -5.103 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.687 -20.737 -5.731 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.947 -22.089 -6.566 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.209 -22.795 -7.400 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.103 -21.217 -7.126 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.537 -21.816 -5.549 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.091 -20.182 -6.092 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.485 -20.921 -9.006 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.473 -19.886 -7.970 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.765 -21.310 -8.768 1.00 0.00 H new ATOM 705 N LYS A 44 -2.987 -23.197 -4.041 1.00 0.00 N ATOM 706 CA LYS A 44 -1.836 -24.054 -3.781 1.00 0.00 C ATOM 707 C LYS A 44 -2.195 -25.145 -2.777 1.00 0.00 C ATOM 708 O LYS A 44 -1.990 -26.330 -3.033 1.00 0.00 O ATOM 709 CB LYS A 44 -0.676 -23.220 -3.237 1.00 0.00 C ATOM 710 CG LYS A 44 0.386 -23.049 -4.324 1.00 0.00 C ATOM 711 CD LYS A 44 1.503 -22.139 -3.811 1.00 0.00 C ATOM 712 CE LYS A 44 2.853 -22.650 -4.316 1.00 0.00 C ATOM 713 NZ LYS A 44 3.129 -23.991 -3.725 1.00 0.00 N ATOM 0 H LYS A 44 -2.895 -22.243 -3.691 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.538 -24.523 -4.719 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.037 -22.245 -2.911 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.242 -23.708 -2.364 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.794 -24.020 -4.604 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.062 -22.621 -5.221 1.00 0.00 H new ATOM 0 HD2 LYS A 44 1.339 -21.117 -4.152 1.00 0.00 H new ATOM 0 HD3 LYS A 44 1.496 -22.116 -2.721 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.846 -22.715 -5.404 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.644 -21.951 -4.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 4.154 -24.107 -3.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.649 -24.071 -2.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.777 -24.731 -4.365 1.00 0.00 H new ATOM 727 N GLN A 45 -2.730 -24.736 -1.633 1.00 0.00 N ATOM 728 CA GLN A 45 -3.112 -25.688 -0.596 1.00 0.00 C ATOM 729 C GLN A 45 -4.236 -26.594 -1.087 1.00 0.00 C ATOM 730 O GLN A 45 -4.514 -27.633 -0.488 1.00 0.00 O ATOM 731 CB GLN A 45 -3.567 -24.940 0.659 1.00 0.00 C ATOM 732 CG GLN A 45 -2.454 -23.999 1.124 1.00 0.00 C ATOM 733 CD GLN A 45 -2.094 -24.296 2.576 1.00 0.00 C ATOM 734 OE1 GLN A 45 -2.263 -23.440 3.445 1.00 0.00 O ATOM 735 NE2 GLN A 45 -1.604 -25.464 2.893 1.00 0.00 N ATOM 0 H GLN A 45 -2.908 -23.759 -1.400 1.00 0.00 H new ATOM 0 HA GLN A 45 -2.244 -26.303 -0.357 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -4.473 -24.372 0.448 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -3.812 -25.650 1.449 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -1.575 -24.120 0.491 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.777 -22.963 1.025 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -1.465 -26.172 2.172 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -1.360 -25.669 3.862 1.00 0.00 H new ATOM 744 N LYS A 46 -4.879 -26.193 -2.177 1.00 0.00 N ATOM 745 CA LYS A 46 -5.974 -26.978 -2.738 1.00 0.00 C ATOM 746 C LYS A 46 -5.432 -28.165 -3.527 1.00 0.00 C ATOM 747 O LYS A 46 -5.910 -29.290 -3.380 1.00 0.00 O ATOM 748 CB LYS A 46 -6.830 -26.103 -3.654 1.00 0.00 C ATOM 749 CG LYS A 46 -7.810 -25.284 -2.813 1.00 0.00 C ATOM 750 CD LYS A 46 -9.143 -26.027 -2.712 1.00 0.00 C ATOM 751 CE LYS A 46 -10.122 -25.207 -1.871 1.00 0.00 C ATOM 752 NZ LYS A 46 -11.332 -26.026 -1.583 1.00 0.00 N ATOM 0 H LYS A 46 -4.664 -25.336 -2.687 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.586 -27.350 -1.917 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.193 -25.439 -4.238 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.376 -26.726 -4.363 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -7.399 -25.116 -1.817 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.962 -24.304 -3.265 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.554 -26.195 -3.707 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.992 -27.007 -2.260 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.648 -24.898 -0.939 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.403 -24.298 -2.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.999 -25.470 -1.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.787 -26.300 -2.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.056 -26.881 -1.059 1.00 0.00 H new ATOM 766 N ILE A 47 -4.433 -27.908 -4.365 1.00 0.00 N ATOM 767 CA ILE A 47 -3.834 -28.964 -5.173 1.00 0.00 C ATOM 768 C ILE A 47 -2.826 -29.763 -4.351 1.00 0.00 C ATOM 769 O ILE A 47 -2.488 -30.895 -4.698 1.00 0.00 O ATOM 770 CB ILE A 47 -3.139 -28.358 -6.392 1.00 0.00 C ATOM 771 CG1 ILE A 47 -2.106 -27.326 -5.928 1.00 0.00 C ATOM 772 CG2 ILE A 47 -4.177 -27.675 -7.286 1.00 0.00 C ATOM 773 CD1 ILE A 47 -1.424 -26.694 -7.145 1.00 0.00 C ATOM 0 H ILE A 47 -4.023 -26.984 -4.502 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.626 -29.635 -5.505 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.639 -29.146 -6.955 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.592 -26.555 -5.330 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.363 -27.803 -5.290 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.681 -27.243 -8.155 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.913 -28.409 -7.616 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.678 -26.886 -6.725 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.690 -25.961 -6.811 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.924 -27.469 -7.725 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.172 -26.202 -7.766 1.00 0.00 H new ATOM 785 N TRP A 48 -2.351 -29.167 -3.264 1.00 0.00 N ATOM 786 CA TRP A 48 -1.384 -29.833 -2.400 1.00 0.00 C ATOM 787 C TRP A 48 -1.509 -29.325 -0.964 1.00 0.00 C ATOM 788 O TRP A 48 -0.693 -28.528 -0.500 1.00 0.00 O ATOM 789 CB TRP A 48 0.033 -29.582 -2.913 1.00 0.00 C ATOM 790 CG TRP A 48 0.450 -30.717 -3.792 1.00 0.00 C ATOM 791 CD1 TRP A 48 0.487 -30.679 -5.143 1.00 0.00 C ATOM 792 CD2 TRP A 48 0.891 -32.052 -3.406 1.00 0.00 C ATOM 793 NE1 TRP A 48 0.922 -31.906 -5.612 1.00 0.00 N ATOM 794 CE2 TRP A 48 1.183 -32.785 -4.582 1.00 0.00 C ATOM 795 CE3 TRP A 48 1.062 -32.691 -2.165 1.00 0.00 C ATOM 796 CZ2 TRP A 48 1.632 -34.105 -4.525 1.00 0.00 C ATOM 797 CZ3 TRP A 48 1.512 -34.020 -2.105 1.00 0.00 C ATOM 798 CH2 TRP A 48 1.796 -34.725 -3.283 1.00 0.00 C ATOM 0 H TRP A 48 -2.617 -28.230 -2.961 1.00 0.00 H new ATOM 0 HA TRP A 48 -1.589 -30.904 -2.412 1.00 0.00 H new ATOM 0 HB2 TRP A 48 0.070 -28.645 -3.468 1.00 0.00 H new ATOM 0 HB3 TRP A 48 0.723 -29.484 -2.075 1.00 0.00 H new ATOM 0 HD1 TRP A 48 0.221 -29.830 -5.756 1.00 0.00 H new ATOM 0 HE1 TRP A 48 1.036 -32.133 -6.600 1.00 0.00 H new ATOM 0 HE3 TRP A 48 0.846 -32.156 -1.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 1.851 -34.644 -5.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.640 -34.501 -1.147 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.141 -35.747 -3.231 1.00 0.00 H new ATOM 809 N PRO A 49 -2.514 -29.769 -0.264 1.00 0.00 N ATOM 810 CA PRO A 49 -2.761 -29.357 1.150 1.00 0.00 C ATOM 811 C PRO A 49 -1.567 -29.665 2.052 1.00 0.00 C ATOM 812 O PRO A 49 -1.057 -28.741 2.663 1.00 0.00 O ATOM 813 CB PRO A 49 -3.987 -30.178 1.568 1.00 0.00 C ATOM 814 CG PRO A 49 -4.649 -30.578 0.292 1.00 0.00 C ATOM 815 CD PRO A 49 -3.535 -30.711 -0.741 1.00 0.00 C ATOM 816 OXT PRO A 49 -1.179 -30.821 2.115 1.00 0.00 O ATOM 0 HA PRO A 49 -2.918 -28.282 1.239 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.695 -31.052 2.150 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.660 -29.590 2.192 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.185 -31.520 0.410 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.380 -29.832 -0.018 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.151 -31.730 -0.789 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.882 -30.454 -1.742 1.00 0.00 H new TER 824 PRO A 49