USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 701 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 76 SER OG : rot 180:sc= 0.42 USER MOD Set 1.2: A 90 THR OG1 : rot -100:sc= 0.378 USER MOD Set 2.1: A 18 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 20 SER OG : rot 180:sc= -0.0408 USER MOD Set 2.3: A 21 SER OG : rot 180:sc= -0.202 USER MOD Set 3.1: A 8 GLN : amide:sc= -0.109 X(o=0.35,f=0.11) USER MOD Set 3.2: A 89 THR OG1 : rot 56:sc= 0.459 USER MOD Single : A 1 MET CE :methyl 177:sc= 0 (180deg=-0.00536) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0 (180deg=-0.0431) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0135 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 42:sc= 1.23 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0.346 USER MOD Single : A 40 THR OG1 : rot -140:sc= 0.337 USER MOD Single : A 57 SER OG : rot 45:sc= 1.21 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 161:sc= 0.47 USER MOD Single : A 62 TYR OH : rot 16:sc= 1.3 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0631 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot -150:sc= -0.0126 USER MOD Single : A 82 ASN : amide:sc= -0.218 X(o=-0.22,f=0) USER MOD Single : A 86 SER OG : rot 81:sc= 0.402 USER MOD Single : A 92 THR OG1 : rot -155:sc= 0.855 USER MOD Single : A 93 GLN : amide:sc= -0.0175 X(o=-0.018,f=0) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -29.703 10.799 -1.351 1.00 0.00 N ATOM 2 CA MET A 1 -28.803 10.828 -0.184 1.00 0.00 C ATOM 3 C MET A 1 -28.218 9.435 0.024 1.00 0.00 C ATOM 4 O MET A 1 -28.987 8.475 0.100 1.00 0.00 O ATOM 5 CB MET A 1 -29.499 11.309 1.099 1.00 0.00 C ATOM 6 CG MET A 1 -30.130 12.693 0.936 1.00 0.00 C ATOM 7 SD MET A 1 -30.731 13.455 2.463 1.00 0.00 S ATOM 8 CE MET A 1 -29.162 14.001 3.190 1.00 0.00 C ATOM 0 H1 MET A 1 -30.001 11.768 -1.584 1.00 0.00 H new ATOM 0 H2 MET A 1 -29.204 10.385 -2.164 1.00 0.00 H new ATOM 0 H3 MET A 1 -30.540 10.223 -1.129 1.00 0.00 H new ATOM 0 HA MET A 1 -28.013 11.549 -0.393 1.00 0.00 H new ATOM 0 HB2 MET A 1 -30.270 10.592 1.382 1.00 0.00 H new ATOM 0 HB3 MET A 1 -28.775 11.336 1.913 1.00 0.00 H new ATOM 0 HG2 MET A 1 -29.395 13.358 0.483 1.00 0.00 H new ATOM 0 HG3 MET A 1 -30.963 12.614 0.237 1.00 0.00 H new ATOM 0 HE1 MET A 1 -29.359 14.541 4.116 1.00 0.00 H new ATOM 0 HE2 MET A 1 -28.537 13.133 3.402 1.00 0.00 H new ATOM 0 HE3 MET A 1 -28.646 14.658 2.490 1.00 0.00 H new ATOM 20 N ARG A 2 -26.887 9.340 0.139 1.00 0.00 N ATOM 21 CA ARG A 2 -26.007 8.185 0.393 1.00 0.00 C ATOM 22 C ARG A 2 -24.646 8.547 -0.201 1.00 0.00 C ATOM 23 O ARG A 2 -24.606 9.330 -1.159 1.00 0.00 O ATOM 24 CB ARG A 2 -26.510 6.847 -0.188 1.00 0.00 C ATOM 25 CG ARG A 2 -26.560 6.810 -1.728 1.00 0.00 C ATOM 26 CD ARG A 2 -27.806 6.105 -2.276 1.00 0.00 C ATOM 27 NE ARG A 2 -28.824 7.060 -2.749 1.00 0.00 N ATOM 28 CZ ARG A 2 -28.789 7.755 -3.895 1.00 0.00 C ATOM 29 NH1 ARG A 2 -27.781 7.632 -4.748 1.00 0.00 N ATOM 30 NH2 ARG A 2 -29.779 8.587 -4.196 1.00 0.00 N ATOM 0 H ARG A 2 -26.324 10.185 0.043 1.00 0.00 H new ATOM 0 HA ARG A 2 -25.970 8.009 1.468 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -25.862 6.044 0.163 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -27.508 6.646 0.202 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -26.530 7.830 -2.110 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -25.670 6.303 -2.102 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -27.518 5.448 -3.096 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -28.236 5.474 -1.498 1.00 0.00 H new ATOM 0 HE ARG A 2 -29.634 7.206 -2.146 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -27.010 6.998 -4.538 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -27.777 8.171 -5.614 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -30.565 8.697 -3.556 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -29.753 9.116 -5.068 1.00 0.00 H new ATOM 44 N GLY A 3 -23.549 7.975 0.284 1.00 0.00 N ATOM 45 CA GLY A 3 -22.241 8.266 -0.282 1.00 0.00 C ATOM 46 C GLY A 3 -21.169 7.344 0.267 1.00 0.00 C ATOM 47 O GLY A 3 -21.262 6.909 1.419 1.00 0.00 O ATOM 0 H GLY A 3 -23.541 7.314 1.060 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -22.285 8.167 -1.367 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -21.975 9.301 -0.067 1.00 0.00 H new ATOM 51 N SER A 4 -20.128 7.080 -0.524 1.00 0.00 N ATOM 52 CA SER A 4 -18.947 6.334 -0.102 1.00 0.00 C ATOM 53 C SER A 4 -18.240 7.094 1.025 1.00 0.00 C ATOM 54 O SER A 4 -18.353 8.318 1.126 1.00 0.00 O ATOM 55 CB SER A 4 -18.036 6.139 -1.302 1.00 0.00 C ATOM 56 OG SER A 4 -18.579 5.170 -2.177 1.00 0.00 O ATOM 0 H SER A 4 -20.084 7.386 -1.496 1.00 0.00 H new ATOM 0 HA SER A 4 -19.228 5.353 0.281 1.00 0.00 H new ATOM 0 HB2 SER A 4 -17.910 7.085 -1.829 1.00 0.00 H new ATOM 0 HB3 SER A 4 -17.047 5.825 -0.969 1.00 0.00 H new ATOM 0 HG SER A 4 -17.984 5.055 -2.947 1.00 0.00 H new ATOM 62 N GLU A 5 -17.507 6.384 1.876 1.00 0.00 N ATOM 63 CA GLU A 5 -17.122 6.874 3.189 1.00 0.00 C ATOM 64 C GLU A 5 -15.856 7.717 3.127 1.00 0.00 C ATOM 65 O GLU A 5 -15.874 8.894 3.486 1.00 0.00 O ATOM 66 CB GLU A 5 -16.972 5.687 4.143 1.00 0.00 C ATOM 67 CG GLU A 5 -17.018 6.192 5.590 1.00 0.00 C ATOM 68 CD GLU A 5 -17.693 5.259 6.591 1.00 0.00 C ATOM 69 OE1 GLU A 5 -18.392 4.289 6.231 1.00 0.00 O ATOM 70 OE2 GLU A 5 -17.667 5.598 7.798 1.00 0.00 O ATOM 0 H GLU A 5 -17.162 5.446 1.670 1.00 0.00 H new ATOM 0 HA GLU A 5 -17.905 7.532 3.567 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -17.770 4.965 3.972 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -16.030 5.171 3.955 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.997 6.377 5.924 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -17.538 7.150 5.606 1.00 0.00 H new ATOM 77 N VAL A 6 -14.764 7.123 2.649 1.00 0.00 N ATOM 78 CA VAL A 6 -13.514 7.803 2.350 1.00 0.00 C ATOM 79 C VAL A 6 -13.061 7.281 0.978 1.00 0.00 C ATOM 80 O VAL A 6 -13.185 6.072 0.743 1.00 0.00 O ATOM 81 CB VAL A 6 -12.499 7.513 3.480 1.00 0.00 C ATOM 82 CG1 VAL A 6 -11.171 8.225 3.233 1.00 0.00 C ATOM 83 CG2 VAL A 6 -13.003 7.951 4.862 1.00 0.00 C ATOM 0 H VAL A 6 -14.728 6.122 2.454 1.00 0.00 H new ATOM 0 HA VAL A 6 -13.614 8.887 2.303 1.00 0.00 H new ATOM 0 HB VAL A 6 -12.366 6.431 3.471 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -10.481 8.000 4.046 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -10.745 7.883 2.290 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -11.338 9.301 3.187 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -12.248 7.722 5.614 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -13.195 9.024 4.856 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -13.924 7.419 5.099 1.00 0.00 H new ATOM 93 N PRO A 7 -12.537 8.116 0.058 1.00 0.00 N ATOM 94 CA PRO A 7 -11.962 7.640 -1.192 1.00 0.00 C ATOM 95 C PRO A 7 -10.657 6.907 -0.893 1.00 0.00 C ATOM 96 O PRO A 7 -9.758 7.469 -0.256 1.00 0.00 O ATOM 97 CB PRO A 7 -11.741 8.886 -2.058 1.00 0.00 C ATOM 98 CG PRO A 7 -11.554 10.005 -1.033 1.00 0.00 C ATOM 99 CD PRO A 7 -12.464 9.569 0.117 1.00 0.00 C ATOM 0 HA PRO A 7 -12.608 6.935 -1.716 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -10.866 8.779 -2.699 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -12.593 9.078 -2.710 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -10.515 10.093 -0.715 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -11.847 10.975 -1.435 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -12.063 9.899 1.075 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -13.455 10.012 0.017 1.00 0.00 H new ATOM 107 N GLN A 8 -10.538 5.663 -1.356 1.00 0.00 N ATOM 108 CA GLN A 8 -9.250 4.994 -1.442 1.00 0.00 C ATOM 109 C GLN A 8 -8.488 5.627 -2.596 1.00 0.00 C ATOM 110 O GLN A 8 -9.076 6.304 -3.450 1.00 0.00 O ATOM 111 CB GLN A 8 -9.450 3.477 -1.629 1.00 0.00 C ATOM 112 CG GLN A 8 -9.898 3.086 -3.044 1.00 0.00 C ATOM 113 CD GLN A 8 -10.521 1.698 -3.081 1.00 0.00 C ATOM 114 OE1 GLN A 8 -11.738 1.577 -3.044 1.00 0.00 O ATOM 115 NE2 GLN A 8 -9.727 0.642 -3.120 1.00 0.00 N ATOM 0 H GLN A 8 -11.325 5.100 -1.678 1.00 0.00 H new ATOM 0 HA GLN A 8 -8.675 5.114 -0.524 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.516 2.965 -1.398 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -10.192 3.126 -0.912 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.619 3.817 -3.411 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -9.041 3.117 -3.717 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -8.715 0.766 -3.150 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -10.126 -0.297 -3.120 1.00 0.00 H new ATOM 124 N LEU A 9 -7.192 5.352 -2.663 1.00 0.00 N ATOM 125 CA LEU A 9 -6.420 5.579 -3.863 1.00 0.00 C ATOM 126 C LEU A 9 -6.952 4.606 -4.900 1.00 0.00 C ATOM 127 O LEU A 9 -6.499 3.466 -5.007 1.00 0.00 O ATOM 128 CB LEU A 9 -4.926 5.402 -3.606 1.00 0.00 C ATOM 129 CG LEU A 9 -4.376 6.511 -2.703 1.00 0.00 C ATOM 130 CD1 LEU A 9 -3.047 6.043 -2.152 1.00 0.00 C ATOM 131 CD2 LEU A 9 -4.215 7.834 -3.443 1.00 0.00 C ATOM 0 H LEU A 9 -6.654 4.967 -1.887 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.526 6.604 -4.217 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.748 4.432 -3.142 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.390 5.405 -4.555 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.085 6.698 -1.897 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.630 6.814 -1.504 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.193 5.127 -1.579 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.359 5.850 -2.975 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.822 8.587 -2.760 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.524 7.703 -4.276 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.184 8.158 -3.823 1.00 0.00 H new ATOM 143 N THR A 10 -7.965 5.045 -5.629 1.00 0.00 N ATOM 144 CA THR A 10 -8.505 4.344 -6.780 1.00 0.00 C ATOM 145 C THR A 10 -7.449 4.333 -7.910 1.00 0.00 C ATOM 146 O THR A 10 -7.550 3.547 -8.847 1.00 0.00 O ATOM 147 CB THR A 10 -9.842 5.008 -7.153 1.00 0.00 C ATOM 148 OG1 THR A 10 -10.578 5.346 -5.986 1.00 0.00 O ATOM 149 CG2 THR A 10 -10.725 4.083 -7.986 1.00 0.00 C ATOM 0 H THR A 10 -8.446 5.922 -5.430 1.00 0.00 H new ATOM 0 HA THR A 10 -8.720 3.296 -6.572 1.00 0.00 H new ATOM 0 HB THR A 10 -9.589 5.898 -7.729 1.00 0.00 H new ATOM 0 HG1 THR A 10 -11.424 5.768 -6.244 1.00 0.00 H new ATOM 0 HG21 THR A 10 -11.659 4.591 -8.227 1.00 0.00 H new ATOM 0 HG22 THR A 10 -10.207 3.818 -8.908 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.941 3.178 -7.419 1.00 0.00 H new ATOM 157 N ASP A 11 -6.396 5.152 -7.798 1.00 0.00 N ATOM 158 CA ASP A 11 -5.225 5.169 -8.672 1.00 0.00 C ATOM 159 C ASP A 11 -4.083 4.245 -8.210 1.00 0.00 C ATOM 160 O ASP A 11 -3.000 4.263 -8.791 1.00 0.00 O ATOM 161 CB ASP A 11 -4.719 6.612 -8.745 1.00 0.00 C ATOM 162 CG ASP A 11 -3.675 6.779 -9.843 1.00 0.00 C ATOM 163 OD1 ASP A 11 -3.996 6.490 -11.020 1.00 0.00 O ATOM 164 OD2 ASP A 11 -2.574 7.288 -9.553 1.00 0.00 O ATOM 0 H ASP A 11 -6.338 5.853 -7.059 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.535 4.790 -9.646 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.557 7.284 -8.932 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.289 6.898 -7.785 1.00 0.00 H new ATOM 169 N LEU A 12 -4.281 3.464 -7.146 1.00 0.00 N ATOM 170 CA LEU A 12 -3.274 2.555 -6.596 1.00 0.00 C ATOM 171 C LEU A 12 -2.882 1.516 -7.641 1.00 0.00 C ATOM 172 O LEU A 12 -3.752 0.786 -8.119 1.00 0.00 O ATOM 173 CB LEU A 12 -3.832 1.902 -5.320 1.00 0.00 C ATOM 174 CG LEU A 12 -2.901 1.029 -4.463 1.00 0.00 C ATOM 175 CD1 LEU A 12 -2.584 -0.363 -5.032 1.00 0.00 C ATOM 176 CD2 LEU A 12 -1.625 1.797 -4.105 1.00 0.00 C ATOM 0 H LEU A 12 -5.162 3.446 -6.633 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.371 3.107 -6.333 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.215 2.699 -4.683 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.685 1.288 -5.610 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.467 0.815 -3.557 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.920 -0.893 -4.349 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.509 -0.927 -5.150 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.097 -0.258 -6.002 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.978 1.164 -3.498 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.103 2.080 -5.019 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.886 2.694 -3.543 1.00 0.00 H new ATOM 188 N SER A 13 -1.603 1.451 -8.004 1.00 0.00 N ATOM 189 CA SER A 13 -1.057 0.443 -8.900 1.00 0.00 C ATOM 190 C SER A 13 0.380 0.102 -8.511 1.00 0.00 C ATOM 191 O SER A 13 0.989 0.803 -7.699 1.00 0.00 O ATOM 192 CB SER A 13 -1.225 0.895 -10.359 1.00 0.00 C ATOM 193 OG SER A 13 -0.685 2.183 -10.593 1.00 0.00 O ATOM 0 H SER A 13 -0.903 2.115 -7.673 1.00 0.00 H new ATOM 0 HA SER A 13 -1.614 -0.489 -8.804 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.738 0.175 -11.017 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.284 0.896 -10.616 1.00 0.00 H new ATOM 0 HG SER A 13 -0.814 2.426 -11.534 1.00 0.00 H new ATOM 199 N PHE A 14 0.909 -1.001 -9.042 1.00 0.00 N ATOM 200 CA PHE A 14 2.272 -1.445 -8.799 1.00 0.00 C ATOM 201 C PHE A 14 3.017 -1.496 -10.124 1.00 0.00 C ATOM 202 O PHE A 14 2.415 -1.698 -11.182 1.00 0.00 O ATOM 203 CB PHE A 14 2.255 -2.816 -8.130 1.00 0.00 C ATOM 204 CG PHE A 14 1.679 -2.811 -6.733 1.00 0.00 C ATOM 205 CD1 PHE A 14 0.291 -2.813 -6.504 1.00 0.00 C ATOM 206 CD2 PHE A 14 2.555 -2.814 -5.642 1.00 0.00 C ATOM 207 CE1 PHE A 14 -0.204 -2.869 -5.190 1.00 0.00 C ATOM 208 CE2 PHE A 14 2.060 -2.903 -4.339 1.00 0.00 C ATOM 209 CZ PHE A 14 0.677 -2.955 -4.105 1.00 0.00 C ATOM 0 H PHE A 14 0.388 -1.619 -9.664 1.00 0.00 H new ATOM 0 HA PHE A 14 2.782 -0.749 -8.133 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.677 -3.503 -8.748 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.273 -3.202 -8.091 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.394 -2.772 -7.338 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.620 -2.747 -5.808 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.270 -2.846 -5.016 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.746 -2.932 -3.506 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.297 -3.060 -3.100 1.00 0.00 H new ATOM 219 N VAL A 15 4.321 -1.279 -10.055 1.00 0.00 N ATOM 220 CA VAL A 15 5.260 -1.219 -11.169 1.00 0.00 C ATOM 221 C VAL A 15 6.588 -1.800 -10.689 1.00 0.00 C ATOM 222 O VAL A 15 6.747 -2.038 -9.494 1.00 0.00 O ATOM 223 CB VAL A 15 5.419 0.241 -11.671 1.00 0.00 C ATOM 224 CG1 VAL A 15 4.450 0.519 -12.827 1.00 0.00 C ATOM 225 CG2 VAL A 15 5.280 1.315 -10.574 1.00 0.00 C ATOM 0 H VAL A 15 4.785 -1.130 -9.159 1.00 0.00 H new ATOM 0 HA VAL A 15 4.892 -1.800 -12.015 1.00 0.00 H new ATOM 0 HB VAL A 15 6.448 0.319 -12.022 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.575 1.547 -13.167 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.661 -0.164 -13.650 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.425 0.371 -12.486 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.405 2.304 -11.015 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.293 1.244 -10.118 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.044 1.158 -9.812 1.00 0.00 H new ATOM 235 N ASP A 16 7.566 -1.937 -11.587 1.00 0.00 N ATOM 236 CA ASP A 16 8.979 -2.109 -11.235 1.00 0.00 C ATOM 237 C ASP A 16 9.148 -3.309 -10.300 1.00 0.00 C ATOM 238 O ASP A 16 9.833 -3.231 -9.281 1.00 0.00 O ATOM 239 CB ASP A 16 9.566 -0.784 -10.687 1.00 0.00 C ATOM 240 CG ASP A 16 9.608 0.374 -11.694 1.00 0.00 C ATOM 241 OD1 ASP A 16 9.176 0.230 -12.861 1.00 0.00 O ATOM 242 OD2 ASP A 16 10.034 1.493 -11.298 1.00 0.00 O ATOM 0 H ASP A 16 7.397 -1.932 -12.593 1.00 0.00 H new ATOM 0 HA ASP A 16 9.562 -2.341 -12.126 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.978 -0.473 -9.824 1.00 0.00 H new ATOM 0 HB3 ASP A 16 10.579 -0.973 -10.331 1.00 0.00 H new ATOM 247 N ILE A 17 8.479 -4.414 -10.653 1.00 0.00 N ATOM 248 CA ILE A 17 8.437 -5.684 -9.925 1.00 0.00 C ATOM 249 C ILE A 17 9.702 -6.463 -10.307 1.00 0.00 C ATOM 250 O ILE A 17 9.654 -7.556 -10.879 1.00 0.00 O ATOM 251 CB ILE A 17 7.102 -6.405 -10.260 1.00 0.00 C ATOM 252 CG1 ILE A 17 5.891 -5.501 -9.913 1.00 0.00 C ATOM 253 CG2 ILE A 17 6.918 -7.727 -9.490 1.00 0.00 C ATOM 254 CD1 ILE A 17 5.104 -5.070 -11.144 1.00 0.00 C ATOM 0 H ILE A 17 7.920 -4.445 -11.506 1.00 0.00 H new ATOM 0 HA ILE A 17 8.444 -5.566 -8.841 1.00 0.00 H new ATOM 0 HB ILE A 17 7.149 -6.620 -11.328 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.228 -6.035 -9.232 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.244 -4.615 -9.385 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.967 -8.181 -9.768 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.732 -8.409 -9.738 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.925 -7.528 -8.418 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.269 -4.439 -10.839 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.756 -4.510 -11.815 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.724 -5.952 -11.660 1.00 0.00 H new ATOM 266 N THR A 18 10.858 -5.849 -10.087 1.00 0.00 N ATOM 267 CA THR A 18 12.140 -6.519 -10.174 1.00 0.00 C ATOM 268 C THR A 18 12.249 -7.487 -8.983 1.00 0.00 C ATOM 269 O THR A 18 11.493 -7.423 -8.017 1.00 0.00 O ATOM 270 CB THR A 18 13.236 -5.439 -10.271 1.00 0.00 C ATOM 271 OG1 THR A 18 14.507 -5.996 -10.561 1.00 0.00 O ATOM 272 CG2 THR A 18 13.334 -4.553 -9.024 1.00 0.00 C ATOM 0 H THR A 18 10.927 -4.862 -9.841 1.00 0.00 H new ATOM 0 HA THR A 18 12.259 -7.136 -11.065 1.00 0.00 H new ATOM 0 HB THR A 18 12.928 -4.803 -11.101 1.00 0.00 H new ATOM 0 HG1 THR A 18 15.173 -5.280 -10.616 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.125 -3.816 -9.162 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.385 -4.041 -8.866 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.562 -5.171 -8.156 1.00 0.00 H new ATOM 280 N ASP A 19 13.220 -8.391 -9.023 1.00 0.00 N ATOM 281 CA ASP A 19 13.419 -9.404 -7.984 1.00 0.00 C ATOM 282 C ASP A 19 14.036 -8.874 -6.686 1.00 0.00 C ATOM 283 O ASP A 19 14.369 -9.652 -5.787 1.00 0.00 O ATOM 284 CB ASP A 19 14.252 -10.547 -8.546 1.00 0.00 C ATOM 285 CG ASP A 19 15.748 -10.273 -8.727 1.00 0.00 C ATOM 286 OD1 ASP A 19 16.243 -9.128 -8.635 1.00 0.00 O ATOM 287 OD2 ASP A 19 16.442 -11.270 -9.039 1.00 0.00 O ATOM 0 H ASP A 19 13.899 -8.445 -9.782 1.00 0.00 H new ATOM 0 HA ASP A 19 12.426 -9.754 -7.702 1.00 0.00 H new ATOM 0 HB2 ASP A 19 14.139 -11.408 -7.887 1.00 0.00 H new ATOM 0 HB3 ASP A 19 13.837 -10.829 -9.513 1.00 0.00 H new ATOM 292 N SER A 20 14.182 -7.556 -6.597 1.00 0.00 N ATOM 293 CA SER A 20 14.952 -6.831 -5.603 1.00 0.00 C ATOM 294 C SER A 20 14.178 -5.758 -4.836 1.00 0.00 C ATOM 295 O SER A 20 14.676 -5.197 -3.857 1.00 0.00 O ATOM 296 CB SER A 20 16.196 -6.319 -6.334 1.00 0.00 C ATOM 297 OG SER A 20 15.885 -5.250 -7.209 1.00 0.00 O ATOM 0 H SER A 20 13.734 -6.928 -7.264 1.00 0.00 H new ATOM 0 HA SER A 20 15.230 -7.495 -4.785 1.00 0.00 H new ATOM 0 HB2 SER A 20 16.937 -5.989 -5.605 1.00 0.00 H new ATOM 0 HB3 SER A 20 16.647 -7.134 -6.900 1.00 0.00 H new ATOM 0 HG SER A 20 16.702 -4.946 -7.658 1.00 0.00 H new ATOM 303 N SER A 21 12.965 -5.438 -5.267 1.00 0.00 N ATOM 304 CA SER A 21 12.092 -4.391 -4.752 1.00 0.00 C ATOM 305 C SER A 21 10.800 -4.365 -5.573 1.00 0.00 C ATOM 306 O SER A 21 10.742 -4.971 -6.641 1.00 0.00 O ATOM 307 CB SER A 21 12.779 -3.008 -4.700 1.00 0.00 C ATOM 308 OG SER A 21 13.987 -2.893 -5.437 1.00 0.00 O ATOM 0 H SER A 21 12.534 -5.940 -6.043 1.00 0.00 H new ATOM 0 HA SER A 21 11.850 -4.625 -3.715 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.077 -2.260 -5.069 1.00 0.00 H new ATOM 0 HB3 SER A 21 12.986 -2.764 -3.658 1.00 0.00 H new ATOM 0 HG SER A 21 14.342 -1.985 -5.343 1.00 0.00 H new ATOM 314 N ILE A 22 9.767 -3.672 -5.088 1.00 0.00 N ATOM 315 CA ILE A 22 8.482 -3.554 -5.786 1.00 0.00 C ATOM 316 C ILE A 22 8.106 -2.073 -5.782 1.00 0.00 C ATOM 317 O ILE A 22 8.145 -1.420 -4.734 1.00 0.00 O ATOM 318 CB ILE A 22 7.441 -4.520 -5.145 1.00 0.00 C ATOM 319 CG1 ILE A 22 6.638 -5.378 -6.145 1.00 0.00 C ATOM 320 CG2 ILE A 22 6.498 -3.868 -4.122 1.00 0.00 C ATOM 321 CD1 ILE A 22 5.279 -4.820 -6.581 1.00 0.00 C ATOM 0 H ILE A 22 9.797 -3.175 -4.198 1.00 0.00 H new ATOM 0 HA ILE A 22 8.527 -3.869 -6.829 1.00 0.00 H new ATOM 0 HB ILE A 22 8.091 -5.201 -4.596 1.00 0.00 H new ATOM 0 HG12 ILE A 22 7.249 -5.526 -7.036 1.00 0.00 H new ATOM 0 HG13 ILE A 22 6.478 -6.361 -5.701 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.810 -4.618 -3.731 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.083 -3.450 -3.303 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.931 -3.073 -4.605 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.811 -5.510 -7.283 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.638 -4.700 -5.708 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.421 -3.853 -7.063 1.00 0.00 H new ATOM 333 N GLY A 23 7.783 -1.507 -6.940 1.00 0.00 N ATOM 334 CA GLY A 23 7.354 -0.124 -7.053 1.00 0.00 C ATOM 335 C GLY A 23 5.851 -0.026 -6.820 1.00 0.00 C ATOM 336 O GLY A 23 5.088 -0.927 -7.172 1.00 0.00 O ATOM 0 H GLY A 23 7.813 -2.002 -7.831 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.884 0.491 -6.326 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.604 0.264 -8.041 1.00 0.00 H new ATOM 340 N LEU A 24 5.409 1.112 -6.295 1.00 0.00 N ATOM 341 CA LEU A 24 4.014 1.477 -6.132 1.00 0.00 C ATOM 342 C LEU A 24 3.814 2.847 -6.746 1.00 0.00 C ATOM 343 O LEU A 24 4.608 3.763 -6.505 1.00 0.00 O ATOM 344 CB LEU A 24 3.639 1.592 -4.652 1.00 0.00 C ATOM 345 CG LEU A 24 3.100 0.300 -4.025 1.00 0.00 C ATOM 346 CD1 LEU A 24 3.535 0.154 -2.564 1.00 0.00 C ATOM 347 CD2 LEU A 24 1.567 0.331 -4.074 1.00 0.00 C ATOM 0 H LEU A 24 6.045 1.834 -5.958 1.00 0.00 H new ATOM 0 HA LEU A 24 3.399 0.711 -6.604 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.518 1.912 -4.092 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.888 2.374 -4.541 1.00 0.00 H new ATOM 0 HG LEU A 24 3.500 -0.543 -4.589 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.133 -0.773 -2.156 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.623 0.133 -2.509 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.158 0.998 -1.986 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.170 -0.583 -3.631 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.202 1.193 -3.515 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.238 0.404 -5.110 1.00 0.00 H new ATOM 359 N ARG A 25 2.675 3.036 -7.398 1.00 0.00 N ATOM 360 CA ARG A 25 2.233 4.308 -7.931 1.00 0.00 C ATOM 361 C ARG A 25 0.857 4.597 -7.362 1.00 0.00 C ATOM 362 O ARG A 25 0.058 3.675 -7.202 1.00 0.00 O ATOM 363 CB ARG A 25 2.198 4.166 -9.450 1.00 0.00 C ATOM 364 CG ARG A 25 2.086 5.484 -10.202 1.00 0.00 C ATOM 365 CD ARG A 25 1.960 5.191 -11.703 1.00 0.00 C ATOM 366 NE ARG A 25 1.340 6.342 -12.354 1.00 0.00 N ATOM 367 CZ ARG A 25 1.962 7.475 -12.678 1.00 0.00 C ATOM 368 NH1 ARG A 25 3.278 7.509 -12.910 1.00 0.00 N ATOM 369 NH2 ARG A 25 1.232 8.578 -12.720 1.00 0.00 N ATOM 0 H ARG A 25 2.014 2.279 -7.574 1.00 0.00 H new ATOM 0 HA ARG A 25 2.893 5.133 -7.664 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.102 3.652 -9.776 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.355 3.532 -9.724 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.219 6.044 -9.853 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.963 6.103 -10.011 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.942 4.997 -12.134 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.359 4.296 -11.864 1.00 0.00 H new ATOM 0 HE ARG A 25 0.348 6.273 -12.580 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.830 6.654 -12.841 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.730 8.390 -13.156 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.235 8.538 -12.509 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.666 9.468 -12.963 1.00 0.00 H new ATOM 383 N TRP A 26 0.574 5.853 -7.044 1.00 0.00 N ATOM 384 CA TRP A 26 -0.789 6.314 -6.806 1.00 0.00 C ATOM 385 C TRP A 26 -0.849 7.827 -7.039 1.00 0.00 C ATOM 386 O TRP A 26 0.122 8.414 -7.522 1.00 0.00 O ATOM 387 CB TRP A 26 -1.260 5.878 -5.409 1.00 0.00 C ATOM 388 CG TRP A 26 -0.466 6.390 -4.246 1.00 0.00 C ATOM 389 CD1 TRP A 26 -0.656 7.584 -3.637 1.00 0.00 C ATOM 390 CD2 TRP A 26 0.567 5.704 -3.468 1.00 0.00 C ATOM 391 NE1 TRP A 26 0.211 7.696 -2.579 1.00 0.00 N ATOM 392 CE2 TRP A 26 1.007 6.590 -2.445 1.00 0.00 C ATOM 393 CE3 TRP A 26 1.176 4.427 -3.493 1.00 0.00 C ATOM 394 CZ2 TRP A 26 2.040 6.271 -1.561 1.00 0.00 C ATOM 395 CZ3 TRP A 26 2.248 4.114 -2.635 1.00 0.00 C ATOM 396 CH2 TRP A 26 2.706 5.046 -1.695 1.00 0.00 C ATOM 0 H TRP A 26 1.281 6.581 -6.944 1.00 0.00 H new ATOM 0 HA TRP A 26 -1.486 5.855 -7.508 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -2.295 6.197 -5.283 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -1.256 4.789 -5.372 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -1.376 8.331 -3.937 1.00 0.00 H new ATOM 0 HE1 TRP A 26 0.257 8.509 -1.964 1.00 0.00 H new ATOM 0 HE3 TRP A 26 0.812 3.679 -4.182 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 2.323 6.963 -0.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 2.722 3.146 -2.702 1.00 0.00 H new ATOM 0 HH2 TRP A 26 3.565 4.822 -1.079 1.00 0.00 H new ATOM 407 N THR A 27 -1.978 8.468 -6.737 1.00 0.00 N ATOM 408 CA THR A 27 -2.204 9.895 -6.928 1.00 0.00 C ATOM 409 C THR A 27 -2.234 10.580 -5.548 1.00 0.00 C ATOM 410 O THR A 27 -3.185 10.371 -4.795 1.00 0.00 O ATOM 411 CB THR A 27 -3.480 10.083 -7.764 1.00 0.00 C ATOM 412 OG1 THR A 27 -3.201 9.785 -9.117 1.00 0.00 O ATOM 413 CG2 THR A 27 -3.997 11.517 -7.747 1.00 0.00 C ATOM 0 H THR A 27 -2.786 7.989 -6.339 1.00 0.00 H new ATOM 0 HA THR A 27 -1.399 10.373 -7.487 1.00 0.00 H new ATOM 0 HB THR A 27 -4.229 9.422 -7.327 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.638 8.984 -9.166 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.899 11.586 -8.355 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.227 11.809 -6.722 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.235 12.183 -8.152 1.00 0.00 H new ATOM 421 N PRO A 28 -1.183 11.318 -5.152 1.00 0.00 N ATOM 422 CA PRO A 28 -1.076 11.892 -3.819 1.00 0.00 C ATOM 423 C PRO A 28 -2.166 12.935 -3.552 1.00 0.00 C ATOM 424 O PRO A 28 -2.279 13.919 -4.289 1.00 0.00 O ATOM 425 CB PRO A 28 0.302 12.542 -3.728 1.00 0.00 C ATOM 426 CG PRO A 28 0.930 12.451 -5.118 1.00 0.00 C ATOM 427 CD PRO A 28 -0.042 11.658 -5.980 1.00 0.00 C ATOM 0 HA PRO A 28 -1.205 11.110 -3.070 1.00 0.00 H new ATOM 0 HB2 PRO A 28 0.218 13.581 -3.410 1.00 0.00 H new ATOM 0 HB3 PRO A 28 0.921 12.032 -2.991 1.00 0.00 H new ATOM 0 HG2 PRO A 28 1.096 13.445 -5.534 1.00 0.00 H new ATOM 0 HG3 PRO A 28 1.901 11.957 -5.074 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.356 12.245 -6.843 1.00 0.00 H new ATOM 0 HD3 PRO A 28 0.435 10.756 -6.365 1.00 0.00 H new ATOM 435 N LEU A 29 -2.933 12.747 -2.477 1.00 0.00 N ATOM 436 CA LEU A 29 -3.934 13.695 -2.009 1.00 0.00 C ATOM 437 C LEU A 29 -3.259 14.711 -1.096 1.00 0.00 C ATOM 438 O LEU A 29 -2.982 14.410 0.067 1.00 0.00 O ATOM 439 CB LEU A 29 -5.121 13.035 -1.275 1.00 0.00 C ATOM 440 CG LEU A 29 -5.714 11.778 -1.936 1.00 0.00 C ATOM 441 CD1 LEU A 29 -5.273 10.489 -1.235 1.00 0.00 C ATOM 442 CD2 LEU A 29 -7.243 11.845 -1.945 1.00 0.00 C ATOM 0 H LEU A 29 -2.871 11.910 -1.897 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.357 14.177 -2.890 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.798 12.772 -0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.915 13.775 -1.172 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.336 11.756 -2.958 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.718 9.631 -1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.187 10.408 -1.271 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.601 10.510 -0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.644 10.948 -2.416 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.610 11.912 -0.921 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.565 12.723 -2.504 1.00 0.00 H new ATOM 454 N ASN A 30 -3.009 15.926 -1.581 1.00 0.00 N ATOM 455 CA ASN A 30 -2.488 17.013 -0.742 1.00 0.00 C ATOM 456 C ASN A 30 -3.641 17.649 0.051 1.00 0.00 C ATOM 457 O ASN A 30 -3.847 18.860 -0.012 1.00 0.00 O ATOM 458 CB ASN A 30 -1.758 18.080 -1.567 1.00 0.00 C ATOM 459 CG ASN A 30 -0.666 17.516 -2.455 1.00 0.00 C ATOM 460 OD1 ASN A 30 0.391 17.099 -1.996 1.00 0.00 O ATOM 461 ND2 ASN A 30 -0.928 17.450 -3.749 1.00 0.00 N ATOM 0 H ASN A 30 -3.159 16.187 -2.556 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.759 16.585 -0.054 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.483 18.608 -2.187 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.322 18.815 -0.891 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -0.243 17.046 -4.388 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.815 17.803 -4.108 1.00 0.00 H new ATOM 468 N SER A 31 -4.473 16.842 0.714 1.00 0.00 N ATOM 469 CA SER A 31 -5.743 17.308 1.250 1.00 0.00 C ATOM 470 C SER A 31 -5.553 18.409 2.304 1.00 0.00 C ATOM 471 O SER A 31 -5.980 19.532 2.027 1.00 0.00 O ATOM 472 CB SER A 31 -6.561 16.119 1.751 1.00 0.00 C ATOM 473 OG SER A 31 -7.051 15.428 0.619 1.00 0.00 O ATOM 0 H SER A 31 -4.283 15.856 0.891 1.00 0.00 H new ATOM 0 HA SER A 31 -6.314 17.781 0.451 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.944 15.461 2.363 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.385 16.459 2.378 1.00 0.00 H new ATOM 0 HG SER A 31 -7.580 14.656 0.910 1.00 0.00 H new ATOM 479 N SER A 32 -4.918 18.104 3.450 1.00 0.00 N ATOM 480 CA SER A 32 -4.608 19.002 4.580 1.00 0.00 C ATOM 481 C SER A 32 -4.411 18.236 5.896 1.00 0.00 C ATOM 482 O SER A 32 -3.546 18.594 6.701 1.00 0.00 O ATOM 483 CB SER A 32 -5.696 20.065 4.820 1.00 0.00 C ATOM 484 OG SER A 32 -6.999 19.500 4.889 1.00 0.00 O ATOM 0 H SER A 32 -4.584 17.156 3.624 1.00 0.00 H new ATOM 0 HA SER A 32 -3.680 19.493 4.288 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.483 20.596 5.748 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.664 20.801 4.017 1.00 0.00 H new ATOM 0 HG SER A 32 -7.656 20.211 5.044 1.00 0.00 H new ATOM 490 N THR A 33 -5.254 17.228 6.128 1.00 0.00 N ATOM 491 CA THR A 33 -5.498 16.574 7.409 1.00 0.00 C ATOM 492 C THR A 33 -5.590 15.039 7.216 1.00 0.00 C ATOM 493 O THR A 33 -5.666 14.252 8.162 1.00 0.00 O ATOM 494 CB THR A 33 -6.718 17.285 8.046 1.00 0.00 C ATOM 495 OG1 THR A 33 -6.281 18.152 9.075 1.00 0.00 O ATOM 496 CG2 THR A 33 -7.805 16.412 8.661 1.00 0.00 C ATOM 0 H THR A 33 -5.817 16.824 5.379 1.00 0.00 H new ATOM 0 HA THR A 33 -4.679 16.674 8.121 1.00 0.00 H new ATOM 0 HB THR A 33 -7.174 17.783 7.190 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.055 18.601 9.475 1.00 0.00 H new ATOM 0 HG21 THR A 33 -8.594 17.045 9.067 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.223 15.758 7.896 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.377 15.807 9.461 1.00 0.00 H new ATOM 504 N ILE A 34 -5.530 14.579 5.962 1.00 0.00 N ATOM 505 CA ILE A 34 -4.909 13.311 5.622 1.00 0.00 C ATOM 506 C ILE A 34 -3.582 13.158 6.393 1.00 0.00 C ATOM 507 O ILE A 34 -2.794 14.106 6.452 1.00 0.00 O ATOM 508 CB ILE A 34 -4.782 13.200 4.089 1.00 0.00 C ATOM 509 CG1 ILE A 34 -4.454 11.747 3.711 1.00 0.00 C ATOM 510 CG2 ILE A 34 -3.879 14.270 3.492 1.00 0.00 C ATOM 511 CD1 ILE A 34 -3.735 11.494 2.387 1.00 0.00 C ATOM 0 H ILE A 34 -5.912 15.081 5.160 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.527 12.469 5.934 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.739 13.425 3.619 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.843 11.325 4.509 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.389 11.187 3.695 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.828 14.141 2.411 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.283 15.256 3.721 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.879 14.180 3.916 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.573 10.424 2.260 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.344 11.869 1.565 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.774 12.009 2.391 1.00 0.00 H new ATOM 523 N ILE A 35 -3.350 11.976 6.972 1.00 0.00 N ATOM 524 CA ILE A 35 -2.185 11.668 7.800 1.00 0.00 C ATOM 525 C ILE A 35 -1.115 10.980 6.968 1.00 0.00 C ATOM 526 O ILE A 35 0.066 11.278 7.102 1.00 0.00 O ATOM 527 CB ILE A 35 -2.579 10.811 9.005 1.00 0.00 C ATOM 528 CG1 ILE A 35 -3.565 11.564 9.917 1.00 0.00 C ATOM 529 CG2 ILE A 35 -1.403 10.330 9.863 1.00 0.00 C ATOM 530 CD1 ILE A 35 -4.794 10.697 10.113 1.00 0.00 C ATOM 0 H ILE A 35 -3.987 11.186 6.873 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.776 12.604 8.181 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.041 9.927 8.567 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.100 11.785 10.878 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.842 12.519 9.470 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.779 9.731 10.692 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.731 9.725 9.254 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.861 11.191 10.254 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.505 11.214 10.757 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.257 10.499 9.147 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.504 9.754 10.576 1.00 0.00 H new ATOM 542 N GLY A 36 -1.500 10.029 6.121 1.00 0.00 N ATOM 543 CA GLY A 36 -0.547 9.417 5.210 1.00 0.00 C ATOM 544 C GLY A 36 -1.109 8.169 4.579 1.00 0.00 C ATOM 545 O GLY A 36 -2.332 7.992 4.521 1.00 0.00 O ATOM 0 H GLY A 36 -2.453 9.672 6.049 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.277 10.130 4.431 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.368 9.173 5.749 1.00 0.00 H new ATOM 549 N TYR A 37 -0.205 7.315 4.109 1.00 0.00 N ATOM 550 CA TYR A 37 -0.545 6.017 3.587 1.00 0.00 C ATOM 551 C TYR A 37 0.381 5.047 4.300 1.00 0.00 C ATOM 552 O TYR A 37 1.598 5.248 4.331 1.00 0.00 O ATOM 553 CB TYR A 37 -0.380 5.968 2.043 1.00 0.00 C ATOM 554 CG TYR A 37 -0.704 7.264 1.317 1.00 0.00 C ATOM 555 CD1 TYR A 37 -2.048 7.597 1.113 1.00 0.00 C ATOM 556 CD2 TYR A 37 0.300 8.156 0.895 1.00 0.00 C ATOM 557 CE1 TYR A 37 -2.408 8.800 0.491 1.00 0.00 C ATOM 558 CE2 TYR A 37 -0.049 9.366 0.263 1.00 0.00 C ATOM 559 CZ TYR A 37 -1.408 9.702 0.071 1.00 0.00 C ATOM 560 OH TYR A 37 -1.751 10.895 -0.490 1.00 0.00 O ATOM 0 H TYR A 37 0.794 7.518 4.084 1.00 0.00 H new ATOM 0 HA TYR A 37 -1.590 5.763 3.765 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.648 5.688 1.812 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -1.022 5.179 1.650 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -2.820 6.916 1.440 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.340 7.912 1.056 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.450 9.036 0.333 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.725 10.039 -0.076 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.939 11.394 -0.720 1.00 0.00 H new ATOM 570 N ARG A 38 -0.209 4.043 4.936 1.00 0.00 N ATOM 571 CA ARG A 38 0.496 2.956 5.585 1.00 0.00 C ATOM 572 C ARG A 38 0.614 1.878 4.527 1.00 0.00 C ATOM 573 O ARG A 38 -0.382 1.550 3.869 1.00 0.00 O ATOM 574 CB ARG A 38 -0.309 2.524 6.830 1.00 0.00 C ATOM 575 CG ARG A 38 -0.068 1.115 7.396 1.00 0.00 C ATOM 576 CD ARG A 38 -0.990 0.082 6.735 1.00 0.00 C ATOM 577 NE ARG A 38 -1.083 -1.169 7.503 1.00 0.00 N ATOM 578 CZ ARG A 38 -2.191 -1.829 7.860 1.00 0.00 C ATOM 579 NH1 ARG A 38 -3.391 -1.275 7.736 1.00 0.00 N ATOM 580 NH2 ARG A 38 -2.081 -3.067 8.305 1.00 0.00 N ATOM 0 H ARG A 38 -1.223 3.965 5.014 1.00 0.00 H new ATOM 0 HA ARG A 38 1.491 3.214 5.949 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.105 3.242 7.624 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.368 2.609 6.588 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.972 0.831 7.238 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.237 1.120 8.473 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.986 0.510 6.623 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.623 -0.138 5.733 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.198 -1.582 7.798 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -3.480 -0.330 7.363 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -4.224 -1.794 8.014 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -1.162 -3.505 8.372 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.915 -3.585 8.582 1.00 0.00 H new ATOM 594 N ILE A 39 1.805 1.311 4.379 1.00 0.00 N ATOM 595 CA ILE A 39 2.021 0.115 3.588 1.00 0.00 C ATOM 596 C ILE A 39 2.346 -0.989 4.578 1.00 0.00 C ATOM 597 O ILE A 39 2.926 -0.764 5.635 1.00 0.00 O ATOM 598 CB ILE A 39 3.095 0.353 2.490 1.00 0.00 C ATOM 599 CG1 ILE A 39 2.483 1.199 1.347 1.00 0.00 C ATOM 600 CG2 ILE A 39 3.630 -0.965 1.889 1.00 0.00 C ATOM 601 CD1 ILE A 39 2.682 2.710 1.500 1.00 0.00 C ATOM 0 H ILE A 39 2.654 1.676 4.811 1.00 0.00 H new ATOM 0 HA ILE A 39 1.140 -0.177 3.016 1.00 0.00 H new ATOM 0 HB ILE A 39 3.928 0.871 2.964 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.922 0.881 0.401 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.415 0.990 1.289 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.377 -0.741 1.128 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.084 -1.566 2.677 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.807 -1.520 1.438 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.222 3.225 0.656 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.217 3.046 2.427 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.748 2.936 1.526 1.00 0.00 H new ATOM 613 N THR A 40 1.981 -2.207 4.223 1.00 0.00 N ATOM 614 CA THR A 40 2.381 -3.410 4.910 1.00 0.00 C ATOM 615 C THR A 40 2.639 -4.426 3.803 1.00 0.00 C ATOM 616 O THR A 40 2.163 -4.281 2.676 1.00 0.00 O ATOM 617 CB THR A 40 1.246 -3.796 5.870 1.00 0.00 C ATOM 618 OG1 THR A 40 1.126 -2.760 6.823 1.00 0.00 O ATOM 619 CG2 THR A 40 1.495 -5.089 6.651 1.00 0.00 C ATOM 0 H THR A 40 1.377 -2.387 3.421 1.00 0.00 H new ATOM 0 HA THR A 40 3.279 -3.322 5.522 1.00 0.00 H new ATOM 0 HB THR A 40 0.356 -3.949 5.260 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.958 -3.147 7.708 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.646 -5.288 7.305 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.618 -5.917 5.953 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.398 -4.983 7.252 1.00 0.00 H new ATOM 627 N VAL A 41 3.412 -5.449 4.111 1.00 0.00 N ATOM 628 CA VAL A 41 3.741 -6.520 3.197 1.00 0.00 C ATOM 629 C VAL A 41 3.654 -7.771 4.054 1.00 0.00 C ATOM 630 O VAL A 41 4.269 -7.793 5.124 1.00 0.00 O ATOM 631 CB VAL A 41 5.133 -6.311 2.543 1.00 0.00 C ATOM 632 CG1 VAL A 41 5.016 -6.098 1.032 1.00 0.00 C ATOM 633 CG2 VAL A 41 5.918 -5.083 3.049 1.00 0.00 C ATOM 0 H VAL A 41 3.839 -5.559 5.031 1.00 0.00 H new ATOM 0 HA VAL A 41 3.066 -6.577 2.343 1.00 0.00 H new ATOM 0 HB VAL A 41 5.663 -7.224 2.814 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.009 -5.955 0.607 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.549 -6.971 0.577 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.407 -5.216 0.835 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.876 -5.025 2.532 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.344 -4.178 2.852 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.090 -5.178 4.121 1.00 0.00 H new ATOM 643 N VAL A 42 2.866 -8.769 3.650 1.00 0.00 N ATOM 644 CA VAL A 42 2.980 -10.093 4.271 1.00 0.00 C ATOM 645 C VAL A 42 3.241 -11.147 3.190 1.00 0.00 C ATOM 646 O VAL A 42 2.967 -10.912 2.011 1.00 0.00 O ATOM 647 CB VAL A 42 1.797 -10.388 5.227 1.00 0.00 C ATOM 648 CG1 VAL A 42 1.300 -9.159 6.016 1.00 0.00 C ATOM 649 CG2 VAL A 42 0.598 -11.002 4.522 1.00 0.00 C ATOM 0 H VAL A 42 2.161 -8.693 2.917 1.00 0.00 H new ATOM 0 HA VAL A 42 3.846 -10.124 4.932 1.00 0.00 H new ATOM 0 HB VAL A 42 2.224 -11.106 5.927 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.471 -9.451 6.661 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.113 -8.765 6.626 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.964 -8.391 5.319 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.196 -11.184 5.246 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.238 -10.318 3.754 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.891 -11.945 4.060 1.00 0.00 H new ATOM 659 N ALA A 43 3.713 -12.328 3.572 1.00 0.00 N ATOM 660 CA ALA A 43 3.898 -13.454 2.676 1.00 0.00 C ATOM 661 C ALA A 43 2.573 -14.193 2.694 1.00 0.00 C ATOM 662 O ALA A 43 2.239 -14.801 3.712 1.00 0.00 O ATOM 663 CB ALA A 43 5.053 -14.341 3.160 1.00 0.00 C ATOM 0 H ALA A 43 3.982 -12.530 4.535 1.00 0.00 H new ATOM 0 HA ALA A 43 4.164 -13.145 1.665 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.178 -15.181 2.476 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.973 -13.757 3.189 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.830 -14.716 4.159 1.00 0.00 H new ATOM 669 N ALA A 44 1.807 -14.115 1.608 1.00 0.00 N ATOM 670 CA ALA A 44 0.471 -14.698 1.528 1.00 0.00 C ATOM 671 C ALA A 44 0.475 -16.194 1.869 1.00 0.00 C ATOM 672 O ALA A 44 -0.494 -16.698 2.437 1.00 0.00 O ATOM 673 CB ALA A 44 -0.107 -14.458 0.132 1.00 0.00 C ATOM 0 H ALA A 44 2.099 -13.642 0.753 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.160 -14.209 2.270 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.105 -14.893 0.072 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.166 -13.386 -0.058 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.538 -14.923 -0.614 1.00 0.00 H new ATOM 679 N GLY A 45 1.593 -16.872 1.572 1.00 0.00 N ATOM 680 CA GLY A 45 1.762 -18.298 1.808 1.00 0.00 C ATOM 681 C GLY A 45 1.699 -18.738 3.272 1.00 0.00 C ATOM 682 O GLY A 45 1.503 -19.932 3.523 1.00 0.00 O ATOM 0 H GLY A 45 2.413 -16.431 1.155 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.992 -18.834 1.253 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.723 -18.605 1.396 1.00 0.00 H new ATOM 686 N GLU A 46 1.869 -17.833 4.243 1.00 0.00 N ATOM 687 CA GLU A 46 1.723 -18.182 5.658 1.00 0.00 C ATOM 688 C GLU A 46 1.188 -17.017 6.502 1.00 0.00 C ATOM 689 O GLU A 46 1.150 -17.108 7.727 1.00 0.00 O ATOM 690 CB GLU A 46 3.073 -18.718 6.170 1.00 0.00 C ATOM 691 CG GLU A 46 2.979 -19.505 7.490 1.00 0.00 C ATOM 692 CD GLU A 46 3.822 -20.778 7.448 1.00 0.00 C ATOM 693 OE1 GLU A 46 3.353 -21.740 6.788 1.00 0.00 O ATOM 694 OE2 GLU A 46 4.917 -20.821 8.050 1.00 0.00 O ATOM 0 H GLU A 46 2.107 -16.856 4.074 1.00 0.00 H new ATOM 0 HA GLU A 46 0.969 -18.962 5.759 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.509 -19.362 5.406 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.756 -17.879 6.308 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.312 -18.875 8.314 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.939 -19.763 7.687 1.00 0.00 H new ATOM 701 N GLY A 47 0.809 -15.894 5.889 1.00 0.00 N ATOM 702 CA GLY A 47 0.407 -14.668 6.573 1.00 0.00 C ATOM 703 C GLY A 47 1.569 -13.955 7.275 1.00 0.00 C ATOM 704 O GLY A 47 1.368 -12.855 7.791 1.00 0.00 O ATOM 0 H GLY A 47 0.773 -15.812 4.873 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.043 -13.988 5.850 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.361 -14.906 7.309 1.00 0.00 H new ATOM 708 N ILE A 48 2.763 -14.555 7.301 1.00 0.00 N ATOM 709 CA ILE A 48 4.022 -14.064 7.860 1.00 0.00 C ATOM 710 C ILE A 48 4.254 -12.602 7.440 1.00 0.00 C ATOM 711 O ILE A 48 4.524 -12.351 6.264 1.00 0.00 O ATOM 712 CB ILE A 48 5.165 -15.047 7.505 1.00 0.00 C ATOM 713 CG1 ILE A 48 5.028 -16.265 8.445 1.00 0.00 C ATOM 714 CG2 ILE A 48 6.570 -14.429 7.618 1.00 0.00 C ATOM 715 CD1 ILE A 48 6.033 -17.394 8.194 1.00 0.00 C ATOM 0 H ILE A 48 2.881 -15.482 6.893 1.00 0.00 H new ATOM 0 HA ILE A 48 3.988 -14.039 8.949 1.00 0.00 H new ATOM 0 HB ILE A 48 5.066 -15.332 6.458 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.137 -15.924 9.475 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.020 -16.668 8.348 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.318 -15.176 7.354 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.650 -13.580 6.939 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.738 -14.092 8.641 1.00 0.00 H new ATOM 0 HD11 ILE A 48 5.856 -18.203 8.903 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.912 -17.769 7.178 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.047 -17.014 8.322 1.00 0.00 H new ATOM 727 N PRO A 49 4.076 -11.624 8.345 1.00 0.00 N ATOM 728 CA PRO A 49 4.204 -10.221 8.010 1.00 0.00 C ATOM 729 C PRO A 49 5.676 -9.831 7.915 1.00 0.00 C ATOM 730 O PRO A 49 6.466 -10.107 8.823 1.00 0.00 O ATOM 731 CB PRO A 49 3.449 -9.481 9.107 1.00 0.00 C ATOM 732 CG PRO A 49 3.586 -10.387 10.328 1.00 0.00 C ATOM 733 CD PRO A 49 3.725 -11.788 9.748 1.00 0.00 C ATOM 0 HA PRO A 49 3.786 -9.971 7.035 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.878 -8.496 9.291 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.404 -9.329 8.839 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.456 -10.117 10.927 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.715 -10.311 10.979 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.494 -12.352 10.276 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.794 -12.345 9.852 1.00 0.00 H new ATOM 741 N ILE A 50 6.032 -9.129 6.841 1.00 0.00 N ATOM 742 CA ILE A 50 7.408 -8.780 6.535 1.00 0.00 C ATOM 743 C ILE A 50 7.701 -7.515 7.345 1.00 0.00 C ATOM 744 O ILE A 50 8.474 -7.578 8.302 1.00 0.00 O ATOM 745 CB ILE A 50 7.628 -8.592 5.010 1.00 0.00 C ATOM 746 CG1 ILE A 50 7.010 -9.657 4.092 1.00 0.00 C ATOM 747 CG2 ILE A 50 9.119 -8.378 4.690 1.00 0.00 C ATOM 748 CD1 ILE A 50 7.493 -11.049 4.421 1.00 0.00 C ATOM 0 H ILE A 50 5.361 -8.785 6.154 1.00 0.00 H new ATOM 0 HA ILE A 50 8.100 -9.577 6.808 1.00 0.00 H new ATOM 0 HB ILE A 50 7.062 -7.691 4.774 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.924 -9.622 4.179 1.00 0.00 H new ATOM 0 HG13 ILE A 50 7.255 -9.426 3.055 1.00 0.00 H new ATOM 0 HG21 ILE A 50 9.246 -8.249 3.615 1.00 0.00 H new ATOM 0 HG22 ILE A 50 9.478 -7.488 5.207 1.00 0.00 H new ATOM 0 HG23 ILE A 50 9.690 -9.245 5.021 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.027 -11.765 3.744 1.00 0.00 H new ATOM 0 HD12 ILE A 50 8.576 -11.094 4.308 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.225 -11.294 5.449 1.00 0.00 H new ATOM 760 N PHE A 51 7.072 -6.385 7.013 1.00 0.00 N ATOM 761 CA PHE A 51 7.119 -5.163 7.804 1.00 0.00 C ATOM 762 C PHE A 51 5.941 -4.267 7.431 1.00 0.00 C ATOM 763 O PHE A 51 5.178 -4.569 6.506 1.00 0.00 O ATOM 764 CB PHE A 51 8.477 -4.442 7.671 1.00 0.00 C ATOM 765 CG PHE A 51 8.706 -3.609 6.422 1.00 0.00 C ATOM 766 CD1 PHE A 51 8.829 -4.219 5.159 1.00 0.00 C ATOM 767 CD2 PHE A 51 8.867 -2.215 6.535 1.00 0.00 C ATOM 768 CE1 PHE A 51 9.091 -3.436 4.021 1.00 0.00 C ATOM 769 CE2 PHE A 51 9.152 -1.440 5.400 1.00 0.00 C ATOM 770 CZ PHE A 51 9.236 -2.042 4.133 1.00 0.00 C ATOM 0 H PHE A 51 6.506 -6.297 6.169 1.00 0.00 H new ATOM 0 HA PHE A 51 7.027 -5.423 8.859 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.599 -3.791 8.537 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.264 -5.194 7.724 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.722 -5.290 5.064 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.771 -1.740 7.500 1.00 0.00 H new ATOM 0 HE1 PHE A 51 9.182 -3.909 3.054 1.00 0.00 H new ATOM 0 HE2 PHE A 51 9.307 -0.376 5.501 1.00 0.00 H new ATOM 0 HZ PHE A 51 9.410 -1.440 3.254 1.00 0.00 H new ATOM 780 N GLU A 52 5.810 -3.158 8.152 1.00 0.00 N ATOM 781 CA GLU A 52 4.880 -2.078 7.874 1.00 0.00 C ATOM 782 C GLU A 52 5.692 -0.788 7.704 1.00 0.00 C ATOM 783 O GLU A 52 6.525 -0.448 8.548 1.00 0.00 O ATOM 784 CB GLU A 52 3.773 -2.035 8.945 1.00 0.00 C ATOM 785 CG GLU A 52 4.256 -1.628 10.349 1.00 0.00 C ATOM 786 CD GLU A 52 3.328 -2.053 11.489 1.00 0.00 C ATOM 787 OE1 GLU A 52 2.154 -2.425 11.263 1.00 0.00 O ATOM 788 OE2 GLU A 52 3.802 -2.057 12.653 1.00 0.00 O ATOM 0 H GLU A 52 6.376 -2.983 8.982 1.00 0.00 H new ATOM 0 HA GLU A 52 4.337 -2.229 6.941 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.001 -1.335 8.623 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.306 -3.018 9.006 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.242 -2.061 10.520 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.374 -0.545 10.379 1.00 0.00 H new ATOM 795 N ASP A 53 5.527 -0.143 6.552 1.00 0.00 N ATOM 796 CA ASP A 53 6.164 1.112 6.174 1.00 0.00 C ATOM 797 C ASP A 53 5.149 2.251 6.235 1.00 0.00 C ATOM 798 O ASP A 53 3.932 2.021 6.240 1.00 0.00 O ATOM 799 CB ASP A 53 6.793 1.022 4.774 1.00 0.00 C ATOM 800 CG ASP A 53 8.003 1.956 4.574 1.00 0.00 C ATOM 801 OD1 ASP A 53 8.471 2.613 5.534 1.00 0.00 O ATOM 802 OD2 ASP A 53 8.537 1.993 3.448 1.00 0.00 O ATOM 0 H ASP A 53 4.913 -0.502 5.820 1.00 0.00 H new ATOM 0 HA ASP A 53 6.967 1.313 6.883 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.106 -0.006 4.592 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.034 1.261 4.029 1.00 0.00 H new ATOM 807 N PHE A 54 5.633 3.485 6.203 1.00 0.00 N ATOM 808 CA PHE A 54 4.819 4.678 6.037 1.00 0.00 C ATOM 809 C PHE A 54 5.444 5.546 4.957 1.00 0.00 C ATOM 810 O PHE A 54 6.626 5.397 4.635 1.00 0.00 O ATOM 811 CB PHE A 54 4.752 5.450 7.362 1.00 0.00 C ATOM 812 CG PHE A 54 3.347 5.538 7.888 1.00 0.00 C ATOM 813 CD1 PHE A 54 2.855 4.516 8.717 1.00 0.00 C ATOM 814 CD2 PHE A 54 2.523 6.615 7.513 1.00 0.00 C ATOM 815 CE1 PHE A 54 1.550 4.604 9.224 1.00 0.00 C ATOM 816 CE2 PHE A 54 1.210 6.686 8.003 1.00 0.00 C ATOM 817 CZ PHE A 54 0.734 5.693 8.877 1.00 0.00 C ATOM 0 H PHE A 54 6.628 3.688 6.294 1.00 0.00 H new ATOM 0 HA PHE A 54 3.806 4.401 5.745 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.386 4.960 8.101 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.149 6.455 7.217 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.477 3.668 8.962 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.899 7.382 6.852 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.173 3.834 9.881 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.566 7.502 7.709 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.264 5.768 9.283 1.00 0.00 H new ATOM 827 N VAL A 55 4.675 6.495 4.425 1.00 0.00 N ATOM 828 CA VAL A 55 5.208 7.523 3.552 1.00 0.00 C ATOM 829 C VAL A 55 4.822 8.897 4.116 1.00 0.00 C ATOM 830 O VAL A 55 4.138 8.985 5.143 1.00 0.00 O ATOM 831 CB VAL A 55 4.757 7.225 2.099 1.00 0.00 C ATOM 832 CG1 VAL A 55 5.927 6.647 1.291 1.00 0.00 C ATOM 833 CG2 VAL A 55 3.560 6.269 1.949 1.00 0.00 C ATOM 0 H VAL A 55 3.671 6.567 4.590 1.00 0.00 H new ATOM 0 HA VAL A 55 6.297 7.530 3.513 1.00 0.00 H new ATOM 0 HB VAL A 55 4.426 8.193 1.722 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.599 6.441 0.272 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.746 7.366 1.271 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.268 5.722 1.756 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.333 6.133 0.892 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.806 5.305 2.394 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.692 6.691 2.455 1.00 0.00 H new ATOM 843 N ASP A 56 5.167 9.974 3.408 1.00 0.00 N ATOM 844 CA ASP A 56 5.170 11.331 3.950 1.00 0.00 C ATOM 845 C ASP A 56 3.767 11.861 4.276 1.00 0.00 C ATOM 846 O ASP A 56 3.458 12.104 5.439 1.00 0.00 O ATOM 847 CB ASP A 56 5.908 12.264 2.973 1.00 0.00 C ATOM 848 CG ASP A 56 6.478 13.474 3.702 1.00 0.00 C ATOM 849 OD1 ASP A 56 7.472 13.295 4.450 1.00 0.00 O ATOM 850 OD2 ASP A 56 5.957 14.593 3.518 1.00 0.00 O ATOM 0 H ASP A 56 5.455 9.926 2.431 1.00 0.00 H new ATOM 0 HA ASP A 56 5.696 11.304 4.905 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.713 11.718 2.481 1.00 0.00 H new ATOM 0 HB3 ASP A 56 5.223 12.594 2.192 1.00 0.00 H new ATOM 855 N SER A 57 2.927 12.028 3.246 1.00 0.00 N ATOM 856 CA SER A 57 1.613 12.683 3.150 1.00 0.00 C ATOM 857 C SER A 57 1.343 13.189 1.724 1.00 0.00 C ATOM 858 O SER A 57 0.192 13.466 1.392 1.00 0.00 O ATOM 859 CB SER A 57 1.377 13.803 4.188 1.00 0.00 C ATOM 860 OG SER A 57 1.098 13.252 5.448 1.00 0.00 O ATOM 0 H SER A 57 3.190 11.655 2.334 1.00 0.00 H new ATOM 0 HA SER A 57 0.891 11.904 3.394 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.258 14.441 4.250 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.548 14.435 3.869 1.00 0.00 H new ATOM 0 HG SER A 57 1.728 12.525 5.634 1.00 0.00 H new ATOM 866 N SER A 58 2.360 13.254 0.855 1.00 0.00 N ATOM 867 CA SER A 58 2.220 13.739 -0.515 1.00 0.00 C ATOM 868 C SER A 58 2.954 12.856 -1.528 1.00 0.00 C ATOM 869 O SER A 58 3.134 13.250 -2.681 1.00 0.00 O ATOM 870 CB SER A 58 2.683 15.195 -0.564 1.00 0.00 C ATOM 871 OG SER A 58 4.063 15.295 -0.268 1.00 0.00 O ATOM 0 H SER A 58 3.310 12.968 1.090 1.00 0.00 H new ATOM 0 HA SER A 58 1.171 13.687 -0.807 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.488 15.610 -1.553 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.110 15.787 0.149 1.00 0.00 H new ATOM 0 HG SER A 58 4.339 16.235 -0.307 1.00 0.00 H new ATOM 877 N VAL A 59 3.375 11.655 -1.124 1.00 0.00 N ATOM 878 CA VAL A 59 4.081 10.745 -2.020 1.00 0.00 C ATOM 879 C VAL A 59 3.060 10.152 -2.992 1.00 0.00 C ATOM 880 O VAL A 59 1.960 9.803 -2.561 1.00 0.00 O ATOM 881 CB VAL A 59 4.785 9.640 -1.209 1.00 0.00 C ATOM 882 CG1 VAL A 59 5.553 8.677 -2.128 1.00 0.00 C ATOM 883 CG2 VAL A 59 5.753 10.242 -0.181 1.00 0.00 C ATOM 0 H VAL A 59 3.237 11.293 -0.180 1.00 0.00 H new ATOM 0 HA VAL A 59 4.850 11.278 -2.579 1.00 0.00 H new ATOM 0 HB VAL A 59 4.008 9.083 -0.685 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.039 7.909 -1.526 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.858 8.207 -2.824 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.307 9.231 -2.687 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.236 9.440 0.377 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.510 10.832 -0.697 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.201 10.882 0.507 1.00 0.00 H new ATOM 893 N GLY A 60 3.436 10.030 -4.269 1.00 0.00 N ATOM 894 CA GLY A 60 2.675 9.371 -5.333 1.00 0.00 C ATOM 895 C GLY A 60 3.523 8.409 -6.163 1.00 0.00 C ATOM 896 O GLY A 60 3.058 7.897 -7.188 1.00 0.00 O ATOM 0 H GLY A 60 4.323 10.407 -4.604 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.842 8.824 -4.891 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.247 10.129 -5.989 1.00 0.00 H new ATOM 900 N TYR A 61 4.779 8.204 -5.761 1.00 0.00 N ATOM 901 CA TYR A 61 5.639 7.160 -6.282 1.00 0.00 C ATOM 902 C TYR A 61 6.533 6.684 -5.140 1.00 0.00 C ATOM 903 O TYR A 61 7.189 7.502 -4.493 1.00 0.00 O ATOM 904 CB TYR A 61 6.460 7.677 -7.462 1.00 0.00 C ATOM 905 CG TYR A 61 6.925 6.528 -8.319 1.00 0.00 C ATOM 906 CD1 TYR A 61 6.080 6.056 -9.336 1.00 0.00 C ATOM 907 CD2 TYR A 61 8.126 5.856 -8.024 1.00 0.00 C ATOM 908 CE1 TYR A 61 6.450 4.933 -10.086 1.00 0.00 C ATOM 909 CE2 TYR A 61 8.488 4.713 -8.756 1.00 0.00 C ATOM 910 CZ TYR A 61 7.658 4.254 -9.804 1.00 0.00 C ATOM 911 OH TYR A 61 7.981 3.163 -10.553 1.00 0.00 O ATOM 0 H TYR A 61 5.229 8.777 -5.047 1.00 0.00 H new ATOM 0 HA TYR A 61 5.047 6.325 -6.657 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.860 8.364 -8.058 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.320 8.239 -7.097 1.00 0.00 H new ATOM 0 HD1 TYR A 61 5.146 6.558 -9.540 1.00 0.00 H new ATOM 0 HD2 TYR A 61 8.769 6.219 -7.236 1.00 0.00 H new ATOM 0 HE1 TYR A 61 5.810 4.584 -10.883 1.00 0.00 H new ATOM 0 HE2 TYR A 61 9.400 4.185 -8.518 1.00 0.00 H new ATOM 0 HH TYR A 61 8.939 2.977 -10.464 1.00 0.00 H new ATOM 921 N TYR A 62 6.529 5.388 -4.850 1.00 0.00 N ATOM 922 CA TYR A 62 7.157 4.776 -3.686 1.00 0.00 C ATOM 923 C TYR A 62 7.676 3.393 -4.093 1.00 0.00 C ATOM 924 O TYR A 62 7.274 2.853 -5.128 1.00 0.00 O ATOM 925 CB TYR A 62 6.123 4.750 -2.550 1.00 0.00 C ATOM 926 CG TYR A 62 6.398 3.789 -1.413 1.00 0.00 C ATOM 927 CD1 TYR A 62 7.525 3.936 -0.584 1.00 0.00 C ATOM 928 CD2 TYR A 62 5.534 2.702 -1.218 1.00 0.00 C ATOM 929 CE1 TYR A 62 7.797 2.974 0.404 1.00 0.00 C ATOM 930 CE2 TYR A 62 5.794 1.750 -0.227 1.00 0.00 C ATOM 931 CZ TYR A 62 6.938 1.868 0.582 1.00 0.00 C ATOM 932 OH TYR A 62 7.205 0.906 1.502 1.00 0.00 O ATOM 0 H TYR A 62 6.066 4.704 -5.448 1.00 0.00 H new ATOM 0 HA TYR A 62 8.017 5.337 -3.321 1.00 0.00 H new ATOM 0 HB2 TYR A 62 6.044 5.755 -2.136 1.00 0.00 H new ATOM 0 HB3 TYR A 62 5.151 4.504 -2.978 1.00 0.00 H new ATOM 0 HD1 TYR A 62 8.180 4.786 -0.706 1.00 0.00 H new ATOM 0 HD2 TYR A 62 4.657 2.599 -1.840 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.669 3.082 1.031 1.00 0.00 H new ATOM 0 HE2 TYR A 62 5.115 0.923 -0.083 1.00 0.00 H new ATOM 0 HH TYR A 62 7.878 1.235 2.134 1.00 0.00 H new ATOM 942 N THR A 63 8.575 2.801 -3.309 1.00 0.00 N ATOM 943 CA THR A 63 9.142 1.485 -3.576 1.00 0.00 C ATOM 944 C THR A 63 9.374 0.763 -2.245 1.00 0.00 C ATOM 945 O THR A 63 9.932 1.341 -1.307 1.00 0.00 O ATOM 946 CB THR A 63 10.426 1.663 -4.410 1.00 0.00 C ATOM 947 OG1 THR A 63 10.138 2.456 -5.551 1.00 0.00 O ATOM 948 CG2 THR A 63 11.039 0.353 -4.901 1.00 0.00 C ATOM 0 H THR A 63 8.934 3.231 -2.457 1.00 0.00 H new ATOM 0 HA THR A 63 8.463 0.862 -4.158 1.00 0.00 H new ATOM 0 HB THR A 63 11.149 2.135 -3.744 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.953 2.572 -6.083 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.938 0.566 -5.479 1.00 0.00 H new ATOM 0 HG22 THR A 63 11.297 -0.271 -4.045 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.320 -0.172 -5.529 1.00 0.00 H new ATOM 956 N VAL A 64 8.937 -0.491 -2.158 1.00 0.00 N ATOM 957 CA VAL A 64 9.180 -1.388 -1.035 1.00 0.00 C ATOM 958 C VAL A 64 10.444 -2.193 -1.364 1.00 0.00 C ATOM 959 O VAL A 64 10.690 -2.498 -2.533 1.00 0.00 O ATOM 960 CB VAL A 64 7.972 -2.326 -0.803 1.00 0.00 C ATOM 961 CG1 VAL A 64 7.906 -2.788 0.656 1.00 0.00 C ATOM 962 CG2 VAL A 64 6.602 -1.708 -1.134 1.00 0.00 C ATOM 0 H VAL A 64 8.383 -0.925 -2.896 1.00 0.00 H new ATOM 0 HA VAL A 64 9.316 -0.820 -0.115 1.00 0.00 H new ATOM 0 HB VAL A 64 8.150 -3.153 -1.491 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.048 -3.446 0.791 1.00 0.00 H new ATOM 0 HG12 VAL A 64 8.819 -3.327 0.909 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.804 -1.921 1.308 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.817 -2.439 -0.940 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.440 -0.828 -0.512 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.578 -1.419 -2.185 1.00 0.00 H new ATOM 972 N THR A 65 11.207 -2.579 -0.348 1.00 0.00 N ATOM 973 CA THR A 65 12.336 -3.504 -0.427 1.00 0.00 C ATOM 974 C THR A 65 12.037 -4.667 0.548 1.00 0.00 C ATOM 975 O THR A 65 10.914 -4.760 1.048 1.00 0.00 O ATOM 976 CB THR A 65 13.664 -2.765 -0.095 1.00 0.00 C ATOM 977 OG1 THR A 65 13.500 -1.387 0.225 1.00 0.00 O ATOM 978 CG2 THR A 65 14.702 -2.877 -1.211 1.00 0.00 C ATOM 0 H THR A 65 11.049 -2.240 0.601 1.00 0.00 H new ATOM 0 HA THR A 65 12.462 -3.903 -1.433 1.00 0.00 H new ATOM 0 HB THR A 65 14.022 -3.284 0.794 1.00 0.00 H new ATOM 0 HG1 THR A 65 14.374 -0.991 0.423 1.00 0.00 H new ATOM 0 HG21 THR A 65 15.606 -2.342 -0.922 1.00 0.00 H new ATOM 0 HG22 THR A 65 14.940 -3.927 -1.382 1.00 0.00 H new ATOM 0 HG23 THR A 65 14.300 -2.442 -2.126 1.00 0.00 H new ATOM 986 N GLY A 66 12.985 -5.573 0.825 1.00 0.00 N ATOM 987 CA GLY A 66 12.787 -6.648 1.808 1.00 0.00 C ATOM 988 C GLY A 66 12.039 -7.848 1.229 1.00 0.00 C ATOM 989 O GLY A 66 11.533 -8.697 1.962 1.00 0.00 O ATOM 0 H GLY A 66 13.902 -5.582 0.379 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.757 -6.976 2.182 1.00 0.00 H new ATOM 0 HA3 GLY A 66 12.232 -6.257 2.661 1.00 0.00 H new ATOM 993 N LEU A 67 11.935 -7.912 -0.098 1.00 0.00 N ATOM 994 CA LEU A 67 11.313 -9.015 -0.805 1.00 0.00 C ATOM 995 C LEU A 67 12.236 -10.235 -0.805 1.00 0.00 C ATOM 996 O LEU A 67 13.468 -10.111 -0.779 1.00 0.00 O ATOM 997 CB LEU A 67 10.965 -8.551 -2.232 1.00 0.00 C ATOM 998 CG LEU A 67 9.454 -8.624 -2.527 1.00 0.00 C ATOM 999 CD1 LEU A 67 9.096 -7.613 -3.616 1.00 0.00 C ATOM 1000 CD2 LEU A 67 9.018 -10.038 -2.924 1.00 0.00 C ATOM 0 H LEU A 67 12.289 -7.182 -0.717 1.00 0.00 H new ATOM 0 HA LEU A 67 10.393 -9.317 -0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 67 11.309 -7.526 -2.371 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.502 -9.168 -2.952 1.00 0.00 H new ATOM 0 HG LEU A 67 8.914 -8.373 -1.614 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.027 -7.665 -3.824 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.351 -6.609 -3.278 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.654 -7.843 -4.524 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.946 -10.046 -3.123 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.556 -10.346 -3.820 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.241 -10.729 -2.111 1.00 0.00 H new ATOM 1012 N GLU A 68 11.629 -11.414 -0.911 1.00 0.00 N ATOM 1013 CA GLU A 68 12.264 -12.670 -1.263 1.00 0.00 C ATOM 1014 C GLU A 68 11.546 -13.196 -2.512 1.00 0.00 C ATOM 1015 O GLU A 68 10.336 -13.417 -2.450 1.00 0.00 O ATOM 1016 CB GLU A 68 12.270 -13.668 -0.099 1.00 0.00 C ATOM 1017 CG GLU A 68 13.414 -14.677 -0.279 1.00 0.00 C ATOM 1018 CD GLU A 68 13.436 -15.763 0.795 1.00 0.00 C ATOM 1019 OE1 GLU A 68 12.807 -16.831 0.611 1.00 0.00 O ATOM 1020 OE2 GLU A 68 14.130 -15.590 1.825 1.00 0.00 O ATOM 0 H GLU A 68 10.628 -11.519 -0.744 1.00 0.00 H new ATOM 0 HA GLU A 68 13.321 -12.520 -1.483 1.00 0.00 H new ATOM 0 HB2 GLU A 68 12.388 -13.137 0.846 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.315 -14.192 -0.053 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.325 -15.146 -1.259 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.365 -14.144 -0.267 1.00 0.00 H new ATOM 1027 N PRO A 69 12.232 -13.310 -3.662 1.00 0.00 N ATOM 1028 CA PRO A 69 11.602 -13.732 -4.905 1.00 0.00 C ATOM 1029 C PRO A 69 11.096 -15.170 -4.797 1.00 0.00 C ATOM 1030 O PRO A 69 11.763 -16.032 -4.221 1.00 0.00 O ATOM 1031 CB PRO A 69 12.676 -13.588 -5.987 1.00 0.00 C ATOM 1032 CG PRO A 69 13.996 -13.587 -5.225 1.00 0.00 C ATOM 1033 CD PRO A 69 13.647 -13.042 -3.850 1.00 0.00 C ATOM 0 HA PRO A 69 10.728 -13.126 -5.142 1.00 0.00 H new ATOM 0 HB2 PRO A 69 12.632 -14.411 -6.701 1.00 0.00 H new ATOM 0 HB3 PRO A 69 12.546 -12.666 -6.554 1.00 0.00 H new ATOM 0 HG2 PRO A 69 14.416 -14.591 -5.158 1.00 0.00 H new ATOM 0 HG3 PRO A 69 14.739 -12.963 -5.721 1.00 0.00 H new ATOM 0 HD2 PRO A 69 14.242 -13.526 -3.076 1.00 0.00 H new ATOM 0 HD3 PRO A 69 13.853 -11.973 -3.790 1.00 0.00 H new ATOM 1041 N GLY A 70 9.966 -15.442 -5.443 1.00 0.00 N ATOM 1042 CA GLY A 70 9.385 -16.763 -5.605 1.00 0.00 C ATOM 1043 C GLY A 70 8.232 -17.048 -4.648 1.00 0.00 C ATOM 1044 O GLY A 70 7.535 -18.039 -4.863 1.00 0.00 O ATOM 0 H GLY A 70 9.408 -14.712 -5.886 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.030 -16.871 -6.630 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.162 -17.513 -5.457 1.00 0.00 H new ATOM 1048 N ILE A 71 7.987 -16.207 -3.635 1.00 0.00 N ATOM 1049 CA ILE A 71 6.855 -16.346 -2.717 1.00 0.00 C ATOM 1050 C ILE A 71 5.815 -15.296 -3.124 1.00 0.00 C ATOM 1051 O ILE A 71 6.150 -14.247 -3.678 1.00 0.00 O ATOM 1052 CB ILE A 71 7.315 -16.246 -1.236 1.00 0.00 C ATOM 1053 CG1 ILE A 71 8.129 -17.470 -0.750 1.00 0.00 C ATOM 1054 CG2 ILE A 71 6.138 -16.147 -0.235 1.00 0.00 C ATOM 1055 CD1 ILE A 71 9.434 -17.763 -1.489 1.00 0.00 C ATOM 0 H ILE A 71 8.578 -15.402 -3.429 1.00 0.00 H new ATOM 0 HA ILE A 71 6.398 -17.333 -2.788 1.00 0.00 H new ATOM 0 HB ILE A 71 7.922 -15.341 -1.244 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.360 -17.328 0.306 1.00 0.00 H new ATOM 0 HG13 ILE A 71 7.492 -18.352 -0.821 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.529 -16.080 0.780 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.547 -15.258 -0.456 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.509 -17.033 -0.324 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.909 -18.643 -1.054 1.00 0.00 H new ATOM 0 HD12 ILE A 71 9.222 -17.948 -2.542 1.00 0.00 H new ATOM 0 HD13 ILE A 71 10.103 -16.908 -1.398 1.00 0.00 H new ATOM 1067 N ASP A 72 4.548 -15.604 -2.867 1.00 0.00 N ATOM 1068 CA ASP A 72 3.398 -14.746 -3.131 1.00 0.00 C ATOM 1069 C ASP A 72 3.286 -13.724 -2.000 1.00 0.00 C ATOM 1070 O ASP A 72 3.211 -14.106 -0.831 1.00 0.00 O ATOM 1071 CB ASP A 72 2.144 -15.616 -3.220 1.00 0.00 C ATOM 1072 CG ASP A 72 0.958 -14.874 -3.832 1.00 0.00 C ATOM 1073 OD1 ASP A 72 1.131 -14.104 -4.809 1.00 0.00 O ATOM 1074 OD2 ASP A 72 -0.181 -15.219 -3.462 1.00 0.00 O ATOM 0 H ASP A 72 4.283 -16.497 -2.451 1.00 0.00 H new ATOM 0 HA ASP A 72 3.513 -14.212 -4.074 1.00 0.00 H new ATOM 0 HB2 ASP A 72 2.362 -16.501 -3.818 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.875 -15.963 -2.222 1.00 0.00 H new ATOM 1079 N TYR A 73 3.361 -12.433 -2.307 1.00 0.00 N ATOM 1080 CA TYR A 73 3.517 -11.347 -1.343 1.00 0.00 C ATOM 1081 C TYR A 73 2.274 -10.439 -1.428 1.00 0.00 C ATOM 1082 O TYR A 73 2.005 -9.851 -2.479 1.00 0.00 O ATOM 1083 CB TYR A 73 4.841 -10.591 -1.636 1.00 0.00 C ATOM 1084 CG TYR A 73 6.066 -10.977 -0.805 1.00 0.00 C ATOM 1085 CD1 TYR A 73 6.371 -12.322 -0.526 1.00 0.00 C ATOM 1086 CD2 TYR A 73 6.922 -9.971 -0.310 1.00 0.00 C ATOM 1087 CE1 TYR A 73 7.487 -12.658 0.267 1.00 0.00 C ATOM 1088 CE2 TYR A 73 8.016 -10.292 0.516 1.00 0.00 C ATOM 1089 CZ TYR A 73 8.314 -11.644 0.798 1.00 0.00 C ATOM 1090 OH TYR A 73 9.388 -11.972 1.572 1.00 0.00 O ATOM 0 H TYR A 73 3.313 -12.101 -3.270 1.00 0.00 H new ATOM 0 HA TYR A 73 3.585 -11.722 -0.322 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.087 -10.736 -2.688 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.660 -9.525 -1.495 1.00 0.00 H new ATOM 0 HD1 TYR A 73 5.743 -13.106 -0.924 1.00 0.00 H new ATOM 0 HD2 TYR A 73 6.735 -8.939 -0.569 1.00 0.00 H new ATOM 0 HE1 TYR A 73 7.710 -13.695 0.469 1.00 0.00 H new ATOM 0 HE2 TYR A 73 8.627 -9.505 0.934 1.00 0.00 H new ATOM 0 HH TYR A 73 9.850 -11.155 1.854 1.00 0.00 H new ATOM 1100 N ASP A 74 1.538 -10.290 -0.321 1.00 0.00 N ATOM 1101 CA ASP A 74 0.396 -9.382 -0.159 1.00 0.00 C ATOM 1102 C ASP A 74 0.956 -8.002 0.198 1.00 0.00 C ATOM 1103 O ASP A 74 1.120 -7.676 1.382 1.00 0.00 O ATOM 1104 CB ASP A 74 -0.567 -9.804 0.998 1.00 0.00 C ATOM 1105 CG ASP A 74 -1.848 -10.607 0.731 1.00 0.00 C ATOM 1106 OD1 ASP A 74 -1.882 -11.529 -0.104 1.00 0.00 O ATOM 1107 OD2 ASP A 74 -2.873 -10.286 1.387 1.00 0.00 O ATOM 0 H ASP A 74 1.731 -10.824 0.526 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.173 -9.396 -1.089 1.00 0.00 H new ATOM 0 HB2 ASP A 74 0.026 -10.382 1.707 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.869 -8.889 1.507 1.00 0.00 H new ATOM 1112 N ILE A 75 1.231 -7.151 -0.797 1.00 0.00 N ATOM 1113 CA ILE A 75 1.630 -5.777 -0.501 1.00 0.00 C ATOM 1114 C ILE A 75 0.341 -4.996 -0.299 1.00 0.00 C ATOM 1115 O ILE A 75 -0.410 -4.805 -1.256 1.00 0.00 O ATOM 1116 CB ILE A 75 2.483 -5.116 -1.596 1.00 0.00 C ATOM 1117 CG1 ILE A 75 3.643 -5.996 -2.104 1.00 0.00 C ATOM 1118 CG2 ILE A 75 2.969 -3.737 -1.094 1.00 0.00 C ATOM 1119 CD1 ILE A 75 3.381 -6.374 -3.561 1.00 0.00 C ATOM 0 H ILE A 75 1.186 -7.384 -1.789 1.00 0.00 H new ATOM 0 HA ILE A 75 2.269 -5.781 0.382 1.00 0.00 H new ATOM 0 HB ILE A 75 1.849 -4.982 -2.472 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.588 -5.459 -2.019 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.730 -6.894 -1.492 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.575 -3.262 -1.865 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.108 -3.107 -0.870 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.567 -3.868 -0.192 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.197 -6.997 -3.928 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.444 -6.926 -3.631 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.315 -5.469 -4.165 1.00 0.00 H new ATOM 1131 N SER A 76 0.050 -4.593 0.931 1.00 0.00 N ATOM 1132 CA SER A 76 -1.229 -4.067 1.381 1.00 0.00 C ATOM 1133 C SER A 76 -1.114 -2.616 1.790 1.00 0.00 C ATOM 1134 O SER A 76 -0.340 -2.280 2.690 1.00 0.00 O ATOM 1135 CB SER A 76 -1.767 -4.930 2.517 1.00 0.00 C ATOM 1136 OG SER A 76 -1.652 -6.315 2.241 1.00 0.00 O ATOM 0 H SER A 76 0.739 -4.627 1.682 1.00 0.00 H new ATOM 0 HA SER A 76 -1.936 -4.105 0.552 1.00 0.00 H new ATOM 0 HB2 SER A 76 -1.225 -4.698 3.434 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.814 -4.683 2.694 1.00 0.00 H new ATOM 0 HG SER A 76 -2.007 -6.830 2.996 1.00 0.00 H new ATOM 1142 N VAL A 77 -1.892 -1.746 1.159 1.00 0.00 N ATOM 1143 CA VAL A 77 -1.671 -0.311 1.212 1.00 0.00 C ATOM 1144 C VAL A 77 -3.024 0.349 1.474 1.00 0.00 C ATOM 1145 O VAL A 77 -4.032 -0.017 0.869 1.00 0.00 O ATOM 1146 CB VAL A 77 -1.000 0.141 -0.103 1.00 0.00 C ATOM 1147 CG1 VAL A 77 -0.729 1.658 -0.113 1.00 0.00 C ATOM 1148 CG2 VAL A 77 0.264 -0.700 -0.424 1.00 0.00 C ATOM 0 H VAL A 77 -2.696 -2.019 0.595 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.995 -0.016 2.015 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.705 -0.049 -0.913 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.256 1.937 -1.055 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.671 2.197 -0.006 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.068 1.915 0.715 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.706 -0.350 -1.357 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.988 -0.592 0.384 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.013 -1.749 -0.525 1.00 0.00 H new ATOM 1158 N ILE A 78 -3.064 1.274 2.430 1.00 0.00 N ATOM 1159 CA ILE A 78 -4.268 1.982 2.840 1.00 0.00 C ATOM 1160 C ILE A 78 -3.961 3.435 3.194 1.00 0.00 C ATOM 1161 O ILE A 78 -2.856 3.786 3.622 1.00 0.00 O ATOM 1162 CB ILE A 78 -4.979 1.205 3.964 1.00 0.00 C ATOM 1163 CG1 ILE A 78 -6.507 1.367 3.935 1.00 0.00 C ATOM 1164 CG2 ILE A 78 -4.413 1.522 5.329 1.00 0.00 C ATOM 1165 CD1 ILE A 78 -7.203 0.521 5.014 1.00 0.00 C ATOM 0 H ILE A 78 -2.236 1.557 2.953 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.965 2.030 2.003 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.776 0.153 3.765 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -6.762 2.417 4.079 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.882 1.080 2.953 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.948 0.949 6.087 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.356 1.259 5.354 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.527 2.587 5.532 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.281 0.669 4.953 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.972 -0.532 4.856 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.850 0.826 5.999 1.00 0.00 H new ATOM 1177 N THR A 79 -4.978 4.272 3.026 1.00 0.00 N ATOM 1178 CA THR A 79 -4.949 5.700 3.277 1.00 0.00 C ATOM 1179 C THR A 79 -5.709 5.936 4.567 1.00 0.00 C ATOM 1180 O THR A 79 -6.825 5.415 4.736 1.00 0.00 O ATOM 1181 CB THR A 79 -5.604 6.471 2.123 1.00 0.00 C ATOM 1182 OG1 THR A 79 -4.997 6.196 0.879 1.00 0.00 O ATOM 1183 CG2 THR A 79 -5.564 7.986 2.374 1.00 0.00 C ATOM 0 H THR A 79 -5.888 3.953 2.694 1.00 0.00 H new ATOM 0 HA THR A 79 -3.921 6.054 3.357 1.00 0.00 H new ATOM 0 HB THR A 79 -6.639 6.132 2.083 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.074 6.980 0.297 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.035 8.506 1.540 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.100 8.217 3.295 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.528 8.312 2.466 1.00 0.00 H new ATOM 1191 N LEU A 80 -5.126 6.749 5.441 1.00 0.00 N ATOM 1192 CA LEU A 80 -5.659 7.118 6.735 1.00 0.00 C ATOM 1193 C LEU A 80 -5.827 8.631 6.790 1.00 0.00 C ATOM 1194 O LEU A 80 -4.938 9.385 6.377 1.00 0.00 O ATOM 1195 CB LEU A 80 -4.753 6.624 7.861 1.00 0.00 C ATOM 1196 CG LEU A 80 -3.233 6.576 7.589 1.00 0.00 C ATOM 1197 CD1 LEU A 80 -2.489 7.049 8.842 1.00 0.00 C ATOM 1198 CD2 LEU A 80 -2.809 5.157 7.207 1.00 0.00 C ATOM 0 H LEU A 80 -4.225 7.187 5.251 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.631 6.644 6.873 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.919 7.262 8.729 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.077 5.620 8.136 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.986 7.234 6.756 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.415 7.019 8.660 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.788 8.070 9.079 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.734 6.395 9.679 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.736 5.136 7.018 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.047 4.474 8.023 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.342 4.848 6.308 1.00 0.00 H new ATOM 1210 N ILE A 81 -6.984 9.067 7.281 1.00 0.00 N ATOM 1211 CA ILE A 81 -7.383 10.470 7.360 1.00 0.00 C ATOM 1212 C ILE A 81 -7.859 10.736 8.792 1.00 0.00 C ATOM 1213 O ILE A 81 -7.926 9.793 9.581 1.00 0.00 O ATOM 1214 CB ILE A 81 -8.410 10.823 6.245 1.00 0.00 C ATOM 1215 CG1 ILE A 81 -9.884 10.522 6.586 1.00 0.00 C ATOM 1216 CG2 ILE A 81 -8.070 10.112 4.913 1.00 0.00 C ATOM 1217 CD1 ILE A 81 -10.881 11.272 5.691 1.00 0.00 C ATOM 0 H ILE A 81 -7.694 8.432 7.647 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.547 11.141 7.163 1.00 0.00 H new ATOM 0 HB ILE A 81 -8.317 11.905 6.151 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -10.059 9.450 6.494 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -10.070 10.787 7.627 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -8.808 10.382 4.158 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -7.079 10.420 4.579 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.083 9.032 5.063 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.899 11.015 5.985 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -10.732 12.346 5.801 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -10.721 10.988 4.651 1.00 0.00 H new ATOM 1229 N ASN A 82 -8.196 11.987 9.132 1.00 0.00 N ATOM 1230 CA ASN A 82 -8.830 12.321 10.410 1.00 0.00 C ATOM 1231 C ASN A 82 -9.977 11.346 10.700 1.00 0.00 C ATOM 1232 O ASN A 82 -11.007 11.382 10.017 1.00 0.00 O ATOM 1233 CB ASN A 82 -9.318 13.779 10.436 1.00 0.00 C ATOM 1234 CG ASN A 82 -10.445 13.977 11.449 1.00 0.00 C ATOM 1235 OD1 ASN A 82 -10.222 14.148 12.647 1.00 0.00 O ATOM 1236 ND2 ASN A 82 -11.685 13.927 10.996 1.00 0.00 N ATOM 0 H ASN A 82 -8.036 12.794 8.528 1.00 0.00 H new ATOM 0 HA ASN A 82 -8.082 12.221 11.197 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -8.486 14.438 10.684 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -9.666 14.065 9.443 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -12.468 14.031 11.641 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -11.859 13.785 10.001 1.00 0.00 H new ATOM 1243 N GLY A 83 -9.764 10.487 11.702 1.00 0.00 N ATOM 1244 CA GLY A 83 -10.690 9.477 12.187 1.00 0.00 C ATOM 1245 C GLY A 83 -11.484 8.802 11.077 1.00 0.00 C ATOM 1246 O GLY A 83 -12.701 8.657 11.226 1.00 0.00 O ATOM 0 H GLY A 83 -8.887 10.484 12.222 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -10.133 8.719 12.738 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.383 9.938 12.891 1.00 0.00 H new ATOM 1250 N GLY A 84 -10.830 8.460 9.964 1.00 0.00 N ATOM 1251 CA GLY A 84 -11.501 7.983 8.774 1.00 0.00 C ATOM 1252 C GLY A 84 -10.602 7.024 8.019 1.00 0.00 C ATOM 1253 O GLY A 84 -9.382 7.215 7.965 1.00 0.00 O ATOM 0 H GLY A 84 -9.815 8.510 9.873 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -12.431 7.484 9.047 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.767 8.825 8.135 1.00 0.00 H new ATOM 1257 N GLU A 85 -11.209 6.008 7.412 1.00 0.00 N ATOM 1258 CA GLU A 85 -10.504 4.811 6.991 1.00 0.00 C ATOM 1259 C GLU A 85 -10.925 4.473 5.558 1.00 0.00 C ATOM 1260 O GLU A 85 -12.101 4.228 5.280 1.00 0.00 O ATOM 1261 CB GLU A 85 -10.820 3.685 7.998 1.00 0.00 C ATOM 1262 CG GLU A 85 -9.647 2.699 8.114 1.00 0.00 C ATOM 1263 CD GLU A 85 -9.946 1.528 9.048 1.00 0.00 C ATOM 1264 OE1 GLU A 85 -10.646 1.757 10.069 1.00 0.00 O ATOM 1265 OE2 GLU A 85 -9.519 0.384 8.770 1.00 0.00 O ATOM 0 H GLU A 85 -12.207 5.996 7.200 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.423 4.952 6.983 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -11.034 4.117 8.976 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -11.717 3.152 7.682 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.403 2.314 7.124 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -8.767 3.230 8.476 1.00 0.00 H new ATOM 1272 N SER A 86 -9.962 4.479 4.638 1.00 0.00 N ATOM 1273 CA SER A 86 -10.191 4.125 3.242 1.00 0.00 C ATOM 1274 C SER A 86 -10.115 2.593 3.087 1.00 0.00 C ATOM 1275 O SER A 86 -10.067 1.876 4.091 1.00 0.00 O ATOM 1276 CB SER A 86 -9.187 4.852 2.344 1.00 0.00 C ATOM 1277 OG SER A 86 -8.811 6.118 2.876 1.00 0.00 O ATOM 0 H SER A 86 -8.995 4.732 4.844 1.00 0.00 H new ATOM 0 HA SER A 86 -11.186 4.443 2.930 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.298 4.233 2.220 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.621 4.990 1.354 1.00 0.00 H new ATOM 0 HG SER A 86 -8.122 5.993 3.562 1.00 0.00 H new ATOM 1283 N ALA A 87 -10.153 2.066 1.859 1.00 0.00 N ATOM 1284 CA ALA A 87 -10.204 0.621 1.638 1.00 0.00 C ATOM 1285 C ALA A 87 -8.795 0.019 1.632 1.00 0.00 C ATOM 1286 O ALA A 87 -7.948 0.536 0.894 1.00 0.00 O ATOM 1287 CB ALA A 87 -10.894 0.329 0.304 1.00 0.00 C ATOM 0 H ALA A 87 -10.149 2.621 1.003 1.00 0.00 H new ATOM 0 HA ALA A 87 -10.769 0.167 2.452 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -10.931 -0.748 0.142 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -11.908 0.728 0.324 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.335 0.799 -0.505 1.00 0.00 H new ATOM 1293 N PRO A 88 -8.540 -1.103 2.340 1.00 0.00 N ATOM 1294 CA PRO A 88 -7.242 -1.777 2.326 1.00 0.00 C ATOM 1295 C PRO A 88 -7.051 -2.329 0.903 1.00 0.00 C ATOM 1296 O PRO A 88 -7.766 -3.238 0.472 1.00 0.00 O ATOM 1297 CB PRO A 88 -7.339 -2.903 3.368 1.00 0.00 C ATOM 1298 CG PRO A 88 -8.835 -3.203 3.460 1.00 0.00 C ATOM 1299 CD PRO A 88 -9.494 -1.858 3.150 1.00 0.00 C ATOM 0 HA PRO A 88 -6.397 -1.132 2.569 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -6.775 -3.783 3.057 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.936 -2.590 4.331 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.134 -3.970 2.745 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.111 -3.565 4.450 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -10.431 -2.001 2.612 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -9.732 -1.322 4.069 1.00 0.00 H new ATOM 1307 N THR A 89 -6.130 -1.746 0.143 1.00 0.00 N ATOM 1308 CA THR A 89 -5.912 -2.097 -1.245 1.00 0.00 C ATOM 1309 C THR A 89 -4.602 -2.870 -1.312 1.00 0.00 C ATOM 1310 O THR A 89 -3.522 -2.287 -1.200 1.00 0.00 O ATOM 1311 CB THR A 89 -5.946 -0.833 -2.112 1.00 0.00 C ATOM 1312 OG1 THR A 89 -7.096 -0.045 -1.834 1.00 0.00 O ATOM 1313 CG2 THR A 89 -5.985 -1.164 -3.606 1.00 0.00 C ATOM 0 H THR A 89 -5.511 -1.010 0.482 1.00 0.00 H new ATOM 0 HA THR A 89 -6.699 -2.737 -1.644 1.00 0.00 H new ATOM 0 HB THR A 89 -5.034 -0.287 -1.871 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.124 0.166 -0.877 1.00 0.00 H new ATOM 0 HG21 THR A 89 -6.008 -0.240 -4.183 1.00 0.00 H new ATOM 0 HG22 THR A 89 -5.098 -1.737 -3.875 1.00 0.00 H new ATOM 0 HG23 THR A 89 -6.877 -1.751 -3.825 1.00 0.00 H new ATOM 1321 N THR A 90 -4.681 -4.195 -1.436 1.00 0.00 N ATOM 1322 CA THR A 90 -3.523 -5.045 -1.687 1.00 0.00 C ATOM 1323 C THR A 90 -3.426 -5.251 -3.204 1.00 0.00 C ATOM 1324 O THR A 90 -4.445 -5.137 -3.892 1.00 0.00 O ATOM 1325 CB THR A 90 -3.703 -6.387 -0.949 1.00 0.00 C ATOM 1326 OG1 THR A 90 -4.037 -6.252 0.420 1.00 0.00 O ATOM 1327 CG2 THR A 90 -2.478 -7.293 -0.926 1.00 0.00 C ATOM 0 H THR A 90 -5.558 -4.710 -1.364 1.00 0.00 H new ATOM 0 HA THR A 90 -2.604 -4.588 -1.320 1.00 0.00 H new ATOM 0 HB THR A 90 -4.508 -6.823 -1.541 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.233 -6.377 0.967 1.00 0.00 H new ATOM 0 HG21 THR A 90 -2.713 -8.209 -0.383 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.189 -7.541 -1.948 1.00 0.00 H new ATOM 0 HG23 THR A 90 -1.654 -6.779 -0.431 1.00 0.00 H new ATOM 1335 N LEU A 91 -2.254 -5.614 -3.736 1.00 0.00 N ATOM 1336 CA LEU A 91 -2.156 -6.354 -4.994 1.00 0.00 C ATOM 1337 C LEU A 91 -1.189 -7.510 -4.753 1.00 0.00 C ATOM 1338 O LEU A 91 0.019 -7.293 -4.626 1.00 0.00 O ATOM 1339 CB LEU A 91 -1.780 -5.461 -6.186 1.00 0.00 C ATOM 1340 CG LEU A 91 -2.199 -6.030 -7.556 1.00 0.00 C ATOM 1341 CD1 LEU A 91 -1.896 -4.994 -8.645 1.00 0.00 C ATOM 1342 CD2 LEU A 91 -1.478 -7.334 -7.896 1.00 0.00 C ATOM 0 H LEU A 91 -1.353 -5.403 -3.308 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.129 -6.750 -5.284 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.243 -4.483 -6.054 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.701 -5.306 -6.184 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.266 -6.247 -7.506 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.190 -5.391 -9.617 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.454 -4.080 -8.442 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.828 -4.774 -8.651 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.811 -7.690 -8.871 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.402 -7.159 -7.921 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.706 -8.084 -7.139 1.00 0.00 H new ATOM 1354 N THR A 92 -1.731 -8.712 -4.563 1.00 0.00 N ATOM 1355 CA THR A 92 -0.952 -9.889 -4.209 1.00 0.00 C ATOM 1356 C THR A 92 -0.397 -10.527 -5.482 1.00 0.00 C ATOM 1357 O THR A 92 -1.158 -10.951 -6.354 1.00 0.00 O ATOM 1358 CB THR A 92 -1.793 -10.877 -3.399 1.00 0.00 C ATOM 1359 OG1 THR A 92 -2.293 -10.200 -2.263 1.00 0.00 O ATOM 1360 CG2 THR A 92 -0.992 -12.091 -2.945 1.00 0.00 C ATOM 0 H THR A 92 -2.731 -8.894 -4.652 1.00 0.00 H new ATOM 0 HA THR A 92 -0.115 -9.594 -3.576 1.00 0.00 H new ATOM 0 HB THR A 92 -2.598 -11.243 -4.037 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.476 -10.848 -1.551 1.00 0.00 H new ATOM 0 HG21 THR A 92 -1.637 -12.760 -2.375 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.604 -12.618 -3.817 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.162 -11.765 -2.318 1.00 0.00 H new ATOM 1368 N GLN A 93 0.926 -10.600 -5.582 1.00 0.00 N ATOM 1369 CA GLN A 93 1.660 -11.121 -6.731 1.00 0.00 C ATOM 1370 C GLN A 93 2.795 -12.006 -6.227 1.00 0.00 C ATOM 1371 O GLN A 93 3.313 -11.770 -5.131 1.00 0.00 O ATOM 1372 CB GLN A 93 2.206 -9.940 -7.545 1.00 0.00 C ATOM 1373 CG GLN A 93 1.191 -9.384 -8.553 1.00 0.00 C ATOM 1374 CD GLN A 93 1.308 -10.025 -9.930 1.00 0.00 C ATOM 1375 OE1 GLN A 93 0.412 -10.725 -10.397 1.00 0.00 O ATOM 1376 NE2 GLN A 93 2.412 -9.776 -10.610 1.00 0.00 N ATOM 0 H GLN A 93 1.543 -10.285 -4.833 1.00 0.00 H new ATOM 0 HA GLN A 93 1.009 -11.716 -7.371 1.00 0.00 H new ATOM 0 HB2 GLN A 93 2.506 -9.144 -6.863 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.102 -10.257 -8.078 1.00 0.00 H new ATOM 0 HG2 GLN A 93 0.183 -9.541 -8.170 1.00 0.00 H new ATOM 0 HG3 GLN A 93 1.332 -8.307 -8.646 1.00 0.00 H new ATOM 0 HE21 GLN A 93 3.142 -9.192 -10.202 1.00 0.00 H new ATOM 0 HE22 GLN A 93 2.535 -10.168 -11.544 1.00 0.00 H new ATOM 1385 N GLN A 94 3.232 -12.981 -7.024 1.00 0.00 N ATOM 1386 CA GLN A 94 4.566 -13.541 -6.851 1.00 0.00 C ATOM 1387 C GLN A 94 5.557 -12.569 -7.496 1.00 0.00 C ATOM 1388 O GLN A 94 5.178 -11.821 -8.402 1.00 0.00 O ATOM 1389 CB GLN A 94 4.650 -14.943 -7.472 1.00 0.00 C ATOM 1390 CG GLN A 94 5.294 -15.929 -6.489 1.00 0.00 C ATOM 1391 CD GLN A 94 5.474 -17.322 -7.089 1.00 0.00 C ATOM 1392 OE1 GLN A 94 4.894 -18.297 -6.634 1.00 0.00 O ATOM 1393 NE2 GLN A 94 6.320 -17.449 -8.098 1.00 0.00 N ATOM 0 H GLN A 94 2.689 -13.392 -7.784 1.00 0.00 H new ATOM 0 HA GLN A 94 4.805 -13.660 -5.794 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.652 -15.288 -7.741 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.233 -14.905 -8.392 1.00 0.00 H new ATOM 0 HG2 GLN A 94 6.265 -15.544 -6.177 1.00 0.00 H new ATOM 0 HG3 GLN A 94 4.676 -16.000 -5.594 1.00 0.00 H new ATOM 0 HE21 GLN A 94 6.798 -16.628 -8.469 1.00 0.00 H new ATOM 0 HE22 GLN A 94 6.494 -18.368 -8.505 1.00 0.00 H new ATOM 1402 N THR A 95 6.823 -12.620 -7.090 1.00 0.00 N ATOM 1403 CA THR A 95 7.873 -11.753 -7.610 1.00 0.00 C ATOM 1404 C THR A 95 9.004 -12.638 -8.096 1.00 0.00 C ATOM 1405 O THR A 95 9.575 -12.351 -9.170 1.00 0.00 O ATOM 1406 CB THR A 95 8.301 -10.755 -6.523 1.00 0.00 C ATOM 1407 OG1 THR A 95 7.157 -10.095 -6.001 1.00 0.00 O ATOM 1408 CG2 THR A 95 9.277 -9.708 -7.066 1.00 0.00 C ATOM 1409 OXT THR A 95 9.290 -13.675 -7.451 1.00 0.00 O ATOM 0 H THR A 95 7.152 -13.275 -6.380 1.00 0.00 H new ATOM 0 HA THR A 95 7.528 -11.154 -8.453 1.00 0.00 H new ATOM 0 HB THR A 95 8.805 -11.319 -5.738 1.00 0.00 H new ATOM 0 HG1 THR A 95 7.434 -9.461 -5.307 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.556 -9.021 -6.267 1.00 0.00 H new ATOM 0 HG22 THR A 95 10.170 -10.205 -7.445 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.801 -9.151 -7.873 1.00 0.00 H new TER 1417 THR A 95