USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 766 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 89 HIS : no HD1:sc= 0 X(o=-0.12,f=-0.15) USER MOD Set 1.2: A 93 SER OG : rot -168:sc= -0.122 USER MOD Set 2.1: A 49 SER OG : rot 128:sc= 0.662 USER MOD Set 2.2: A 51 SER OG : rot 180:sc= 0.765 USER MOD Set 3.1: A 48 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 146:sc= 0.0151 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 136:sc= -0.148 (180deg=-0.881) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.259 USER MOD Single : A 17 SER OG : rot 45:sc= 0.584 USER MOD Single : A 21 SER OG : rot 16:sc= 0.249 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 31:sc= 0.278 USER MOD Single : A 29 CYS SG : rot -170:sc=0.000713 USER MOD Single : A 32 ASN : amide:sc= 0.0625 K(o=0.062,f=-1.6!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -144:sc= -4.1! (180deg=-5.16!) USER MOD Single : A 44 SER OG : rot 30:sc= 0.487 USER MOD Single : A 46 HIS : no HD1:sc= -2.51! C(o=-2.5!,f=-5!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -2.97! C(o=-3!,f=-6.2!) USER MOD Single : A 66 SER OG : rot 72:sc= 0.368 USER MOD Single : A 67 HIS :FLIP no HD1:sc= -1.34 F(o=-2.8,f=-1.3) USER MOD Single : A 68 CYS SG : rot 180:sc= -0.834 USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -8.16! C(o=-8.2!,f=-10!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.0697 K(o=-0.07,f=-1.2!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.00133 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.010 -9.492 -23.457 1.00 0.00 N ATOM 2 CA GLY A 1 -9.216 -10.357 -22.604 1.00 0.00 C ATOM 3 C GLY A 1 -8.088 -9.614 -21.915 1.00 0.00 C ATOM 4 O GLY A 1 -7.514 -8.682 -22.479 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.339 -10.028 -24.285 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.831 -9.139 -22.925 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.430 -8.689 -23.773 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.861 -10.811 -21.852 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.801 -11.169 -23.201 1.00 0.00 H new ATOM 8 N SER A 2 -7.770 -10.026 -20.692 1.00 0.00 N ATOM 9 CA SER A 2 -6.707 -9.389 -19.923 1.00 0.00 C ATOM 10 C SER A 2 -5.568 -10.369 -19.656 1.00 0.00 C ATOM 11 O SER A 2 -5.782 -11.578 -19.570 1.00 0.00 O ATOM 12 CB SER A 2 -7.256 -8.855 -18.599 1.00 0.00 C ATOM 13 OG SER A 2 -6.531 -7.717 -18.167 1.00 0.00 O ATOM 0 H SER A 2 -8.233 -10.798 -20.212 1.00 0.00 H new ATOM 0 HA SER A 2 -6.317 -8.556 -20.509 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.308 -8.596 -18.716 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.202 -9.634 -17.839 1.00 0.00 H new ATOM 0 HG SER A 2 -6.903 -7.394 -17.320 1.00 0.00 H new ATOM 19 N SER A 3 -4.357 -9.837 -19.527 1.00 0.00 N ATOM 20 CA SER A 3 -3.183 -10.664 -19.274 1.00 0.00 C ATOM 21 C SER A 3 -2.033 -9.822 -18.729 1.00 0.00 C ATOM 22 O SER A 3 -1.963 -8.617 -18.968 1.00 0.00 O ATOM 23 CB SER A 3 -2.746 -11.373 -20.557 1.00 0.00 C ATOM 24 OG SER A 3 -2.201 -10.454 -21.488 1.00 0.00 O ATOM 0 H SER A 3 -4.163 -8.838 -19.593 1.00 0.00 H new ATOM 0 HA SER A 3 -3.450 -11.411 -18.527 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.006 -12.137 -20.320 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.600 -11.884 -21.003 1.00 0.00 H new ATOM 0 HG SER A 3 -1.928 -10.933 -22.298 1.00 0.00 H new ATOM 30 N GLY A 4 -1.132 -10.467 -17.994 1.00 0.00 N ATOM 31 CA GLY A 4 0.003 -9.763 -17.425 1.00 0.00 C ATOM 32 C GLY A 4 -0.042 -9.719 -15.911 1.00 0.00 C ATOM 33 O GLY A 4 -0.886 -10.363 -15.289 1.00 0.00 O ATOM 0 H GLY A 4 -1.168 -11.464 -17.782 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.925 -10.249 -17.744 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.028 -8.745 -17.814 1.00 0.00 H new ATOM 37 N SER A 5 0.870 -8.957 -15.315 1.00 0.00 N ATOM 38 CA SER A 5 0.935 -8.836 -13.863 1.00 0.00 C ATOM 39 C SER A 5 0.998 -10.212 -13.206 1.00 0.00 C ATOM 40 O SER A 5 0.349 -10.456 -12.189 1.00 0.00 O ATOM 41 CB SER A 5 -0.277 -8.063 -13.340 1.00 0.00 C ATOM 42 OG SER A 5 -0.226 -6.705 -13.740 1.00 0.00 O ATOM 0 H SER A 5 1.574 -8.414 -15.815 1.00 0.00 H new ATOM 0 HA SER A 5 1.843 -8.289 -13.608 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.193 -8.521 -13.713 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.310 -8.124 -12.252 1.00 0.00 H new ATOM 0 HG SER A 5 -1.012 -6.233 -13.395 1.00 0.00 H new ATOM 48 N SER A 6 1.786 -11.106 -13.794 1.00 0.00 N ATOM 49 CA SER A 6 1.932 -12.459 -13.269 1.00 0.00 C ATOM 50 C SER A 6 3.367 -12.950 -13.425 1.00 0.00 C ATOM 51 O SER A 6 4.031 -12.657 -14.419 1.00 0.00 O ATOM 52 CB SER A 6 0.973 -13.413 -13.984 1.00 0.00 C ATOM 53 OG SER A 6 1.103 -14.734 -13.488 1.00 0.00 O ATOM 0 H SER A 6 2.333 -10.918 -14.634 1.00 0.00 H new ATOM 0 HA SER A 6 1.687 -12.438 -12.207 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.053 -13.070 -13.850 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.175 -13.402 -15.055 1.00 0.00 H new ATOM 0 HG SER A 6 0.478 -15.324 -13.960 1.00 0.00 H new ATOM 59 N GLY A 7 3.841 -13.701 -12.435 1.00 0.00 N ATOM 60 CA GLY A 7 5.195 -14.221 -12.480 1.00 0.00 C ATOM 61 C GLY A 7 6.239 -13.135 -12.318 1.00 0.00 C ATOM 62 O GLY A 7 7.236 -13.110 -13.041 1.00 0.00 O ATOM 0 H GLY A 7 3.311 -13.958 -11.602 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.322 -14.963 -11.692 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.353 -14.733 -13.429 1.00 0.00 H new ATOM 66 N ARG A 8 6.011 -12.234 -11.368 1.00 0.00 N ATOM 67 CA ARG A 8 6.939 -11.138 -11.116 1.00 0.00 C ATOM 68 C ARG A 8 7.687 -11.351 -9.803 1.00 0.00 C ATOM 69 O ARG A 8 7.696 -10.480 -8.933 1.00 0.00 O ATOM 70 CB ARG A 8 6.190 -9.805 -11.078 1.00 0.00 C ATOM 71 CG ARG A 8 7.065 -8.605 -11.401 1.00 0.00 C ATOM 72 CD ARG A 8 7.338 -8.501 -12.893 1.00 0.00 C ATOM 73 NE ARG A 8 6.142 -8.131 -13.644 1.00 0.00 N ATOM 74 CZ ARG A 8 6.031 -8.265 -14.961 1.00 0.00 C ATOM 75 NH1 ARG A 8 7.038 -8.757 -15.669 1.00 0.00 N ATOM 76 NH2 ARG A 8 4.909 -7.906 -15.573 1.00 0.00 N ATOM 0 H ARG A 8 5.192 -12.241 -10.760 1.00 0.00 H new ATOM 0 HA ARG A 8 7.665 -11.115 -11.929 1.00 0.00 H new ATOM 0 HB2 ARG A 8 5.363 -9.842 -11.787 1.00 0.00 H new ATOM 0 HB3 ARG A 8 5.755 -9.671 -10.088 1.00 0.00 H new ATOM 0 HG2 ARG A 8 6.577 -7.694 -11.055 1.00 0.00 H new ATOM 0 HG3 ARG A 8 8.009 -8.686 -10.862 1.00 0.00 H new ATOM 0 HD2 ARG A 8 8.119 -7.761 -13.068 1.00 0.00 H new ATOM 0 HD3 ARG A 8 7.715 -9.456 -13.260 1.00 0.00 H new ATOM 0 HE ARG A 8 5.348 -7.749 -13.130 1.00 0.00 H new ATOM 0 HH11 ARG A 8 7.902 -9.034 -15.203 1.00 0.00 H new ATOM 0 HH12 ARG A 8 6.949 -8.858 -16.680 1.00 0.00 H new ATOM 0 HH21 ARG A 8 4.132 -7.527 -15.032 1.00 0.00 H new ATOM 0 HH22 ARG A 8 4.824 -8.009 -16.584 1.00 0.00 H new ATOM 90 N VAL A 9 8.314 -12.515 -9.667 1.00 0.00 N ATOM 91 CA VAL A 9 9.065 -12.843 -8.461 1.00 0.00 C ATOM 92 C VAL A 9 10.545 -12.518 -8.630 1.00 0.00 C ATOM 93 O VAL A 9 11.266 -13.209 -9.350 1.00 0.00 O ATOM 94 CB VAL A 9 8.916 -14.331 -8.093 1.00 0.00 C ATOM 95 CG1 VAL A 9 9.534 -15.211 -9.170 1.00 0.00 C ATOM 96 CG2 VAL A 9 9.547 -14.611 -6.738 1.00 0.00 C ATOM 0 H VAL A 9 8.317 -13.247 -10.377 1.00 0.00 H new ATOM 0 HA VAL A 9 8.652 -12.235 -7.656 1.00 0.00 H new ATOM 0 HB VAL A 9 7.854 -14.567 -8.029 1.00 0.00 H new ATOM 0 HG11 VAL A 9 9.420 -16.259 -8.893 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.032 -15.030 -10.120 1.00 0.00 H new ATOM 0 HG13 VAL A 9 10.594 -14.975 -9.269 1.00 0.00 H new ATOM 0 HG21 VAL A 9 9.432 -15.667 -6.494 1.00 0.00 H new ATOM 0 HG22 VAL A 9 10.607 -14.359 -6.771 1.00 0.00 H new ATOM 0 HG23 VAL A 9 9.055 -14.007 -5.976 1.00 0.00 H new ATOM 106 N LYS A 10 10.993 -11.461 -7.961 1.00 0.00 N ATOM 107 CA LYS A 10 12.388 -11.044 -8.034 1.00 0.00 C ATOM 108 C LYS A 10 13.036 -11.064 -6.654 1.00 0.00 C ATOM 109 O LYS A 10 12.825 -10.159 -5.846 1.00 0.00 O ATOM 110 CB LYS A 10 12.491 -9.641 -8.637 1.00 0.00 C ATOM 111 CG LYS A 10 11.989 -9.555 -10.068 1.00 0.00 C ATOM 112 CD LYS A 10 13.113 -9.774 -11.067 1.00 0.00 C ATOM 113 CE LYS A 10 13.221 -11.237 -11.472 1.00 0.00 C ATOM 114 NZ LYS A 10 11.971 -11.728 -12.116 1.00 0.00 N ATOM 0 H LYS A 10 10.410 -10.877 -7.362 1.00 0.00 H new ATOM 0 HA LYS A 10 12.918 -11.749 -8.675 1.00 0.00 H new ATOM 0 HB2 LYS A 10 11.922 -8.946 -8.019 1.00 0.00 H new ATOM 0 HB3 LYS A 10 13.531 -9.317 -8.606 1.00 0.00 H new ATOM 0 HG2 LYS A 10 11.210 -10.300 -10.227 1.00 0.00 H new ATOM 0 HG3 LYS A 10 11.535 -8.578 -10.237 1.00 0.00 H new ATOM 0 HD2 LYS A 10 12.939 -9.162 -11.952 1.00 0.00 H new ATOM 0 HD3 LYS A 10 14.057 -9.445 -10.632 1.00 0.00 H new ATOM 0 HE2 LYS A 10 14.057 -11.363 -12.160 1.00 0.00 H new ATOM 0 HE3 LYS A 10 13.438 -11.842 -10.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 12.212 -12.293 -12.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 11.441 -12.317 -11.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 11.386 -10.917 -12.401 1.00 0.00 H new ATOM 128 N GLU A 11 13.825 -12.101 -6.390 1.00 0.00 N ATOM 129 CA GLU A 11 14.504 -12.237 -5.106 1.00 0.00 C ATOM 130 C GLU A 11 15.138 -10.915 -4.684 1.00 0.00 C ATOM 131 O GLU A 11 16.004 -10.380 -5.376 1.00 0.00 O ATOM 132 CB GLU A 11 15.574 -13.327 -5.183 1.00 0.00 C ATOM 133 CG GLU A 11 16.450 -13.234 -6.421 1.00 0.00 C ATOM 134 CD GLU A 11 17.452 -14.369 -6.513 1.00 0.00 C ATOM 135 OE1 GLU A 11 17.022 -15.541 -6.505 1.00 0.00 O ATOM 136 OE2 GLU A 11 18.665 -14.085 -6.592 1.00 0.00 O ATOM 0 H GLU A 11 14.010 -12.859 -7.047 1.00 0.00 H new ATOM 0 HA GLU A 11 13.762 -12.519 -4.359 1.00 0.00 H new ATOM 0 HB2 GLU A 11 16.205 -13.268 -4.296 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.089 -14.303 -5.164 1.00 0.00 H new ATOM 0 HG2 GLU A 11 15.819 -13.239 -7.310 1.00 0.00 H new ATOM 0 HG3 GLU A 11 16.983 -12.283 -6.414 1.00 0.00 H new ATOM 143 N SER A 12 14.700 -10.393 -3.542 1.00 0.00 N ATOM 144 CA SER A 12 15.221 -9.132 -3.029 1.00 0.00 C ATOM 145 C SER A 12 14.785 -8.912 -1.583 1.00 0.00 C ATOM 146 O SER A 12 13.707 -9.346 -1.176 1.00 0.00 O ATOM 147 CB SER A 12 14.747 -7.967 -3.900 1.00 0.00 C ATOM 148 OG SER A 12 15.540 -6.813 -3.684 1.00 0.00 O ATOM 0 H SER A 12 13.986 -10.824 -2.955 1.00 0.00 H new ATOM 0 HA SER A 12 16.310 -9.178 -3.059 1.00 0.00 H new ATOM 0 HB2 SER A 12 14.793 -8.252 -4.951 1.00 0.00 H new ATOM 0 HB3 SER A 12 13.704 -7.742 -3.676 1.00 0.00 H new ATOM 0 HG SER A 12 15.218 -6.083 -4.253 1.00 0.00 H new ATOM 154 N ILE A 13 15.630 -8.235 -0.813 1.00 0.00 N ATOM 155 CA ILE A 13 15.332 -7.957 0.586 1.00 0.00 C ATOM 156 C ILE A 13 14.594 -6.631 0.737 1.00 0.00 C ATOM 157 O ILE A 13 13.881 -6.413 1.718 1.00 0.00 O ATOM 158 CB ILE A 13 16.615 -7.917 1.438 1.00 0.00 C ATOM 159 CG1 ILE A 13 17.443 -9.183 1.211 1.00 0.00 C ATOM 160 CG2 ILE A 13 16.268 -7.760 2.911 1.00 0.00 C ATOM 161 CD1 ILE A 13 16.609 -10.440 1.105 1.00 0.00 C ATOM 0 H ILE A 13 16.526 -7.869 -1.134 1.00 0.00 H new ATOM 0 HA ILE A 13 14.695 -8.768 0.940 1.00 0.00 H new ATOM 0 HB ILE A 13 17.211 -7.057 1.132 1.00 0.00 H new ATOM 0 HG12 ILE A 13 18.027 -9.066 0.298 1.00 0.00 H new ATOM 0 HG13 ILE A 13 18.152 -9.295 2.031 1.00 0.00 H new ATOM 0 HG21 ILE A 13 17.185 -7.733 3.500 1.00 0.00 H new ATOM 0 HG22 ILE A 13 15.715 -6.832 3.058 1.00 0.00 H new ATOM 0 HG23 ILE A 13 15.655 -8.602 3.232 1.00 0.00 H new ATOM 0 HD11 ILE A 13 17.262 -11.298 0.945 1.00 0.00 H new ATOM 0 HD12 ILE A 13 16.045 -10.581 2.027 1.00 0.00 H new ATOM 0 HD13 ILE A 13 15.918 -10.349 0.267 1.00 0.00 H new ATOM 173 N THR A 14 14.766 -5.748 -0.242 1.00 0.00 N ATOM 174 CA THR A 14 14.116 -4.445 -0.218 1.00 0.00 C ATOM 175 C THR A 14 14.320 -3.704 -1.535 1.00 0.00 C ATOM 176 O THR A 14 15.361 -3.840 -2.179 1.00 0.00 O ATOM 177 CB THR A 14 14.646 -3.572 0.935 1.00 0.00 C ATOM 178 OG1 THR A 14 14.546 -2.187 0.588 1.00 0.00 O ATOM 179 CG2 THR A 14 16.094 -3.917 1.253 1.00 0.00 C ATOM 0 H THR A 14 15.351 -5.913 -1.062 1.00 0.00 H new ATOM 0 HA THR A 14 13.052 -4.627 -0.066 1.00 0.00 H new ATOM 0 HB THR A 14 14.039 -3.769 1.819 1.00 0.00 H new ATOM 0 HG1 THR A 14 14.884 -1.639 1.327 1.00 0.00 H new ATOM 0 HG21 THR A 14 16.447 -3.288 2.070 1.00 0.00 H new ATOM 0 HG22 THR A 14 16.163 -4.965 1.546 1.00 0.00 H new ATOM 0 HG23 THR A 14 16.711 -3.746 0.371 1.00 0.00 H new ATOM 187 N ARG A 15 13.322 -2.921 -1.930 1.00 0.00 N ATOM 188 CA ARG A 15 13.393 -2.160 -3.171 1.00 0.00 C ATOM 189 C ARG A 15 12.740 -0.790 -3.007 1.00 0.00 C ATOM 190 O ARG A 15 11.554 -0.689 -2.691 1.00 0.00 O ATOM 191 CB ARG A 15 12.712 -2.928 -4.305 1.00 0.00 C ATOM 192 CG ARG A 15 13.279 -2.614 -5.680 1.00 0.00 C ATOM 193 CD ARG A 15 14.497 -3.470 -5.990 1.00 0.00 C ATOM 194 NE ARG A 15 15.699 -2.972 -5.327 1.00 0.00 N ATOM 195 CZ ARG A 15 16.428 -1.963 -5.789 1.00 0.00 C ATOM 196 NH1 ARG A 15 16.079 -1.346 -6.910 1.00 0.00 N ATOM 197 NH2 ARG A 15 17.510 -1.567 -5.130 1.00 0.00 N ATOM 0 H ARG A 15 12.454 -2.797 -1.408 1.00 0.00 H new ATOM 0 HA ARG A 15 14.444 -2.015 -3.419 1.00 0.00 H new ATOM 0 HB2 ARG A 15 12.808 -3.997 -4.117 1.00 0.00 H new ATOM 0 HB3 ARG A 15 11.647 -2.698 -4.300 1.00 0.00 H new ATOM 0 HG2 ARG A 15 12.513 -2.781 -6.437 1.00 0.00 H new ATOM 0 HG3 ARG A 15 13.552 -1.560 -5.730 1.00 0.00 H new ATOM 0 HD2 ARG A 15 14.308 -4.496 -5.675 1.00 0.00 H new ATOM 0 HD3 ARG A 15 14.660 -3.492 -7.068 1.00 0.00 H new ATOM 0 HE ARG A 15 15.995 -3.424 -4.462 1.00 0.00 H new ATOM 0 HH11 ARG A 15 15.248 -1.646 -7.420 1.00 0.00 H new ATOM 0 HH12 ARG A 15 16.641 -0.571 -7.262 1.00 0.00 H new ATOM 0 HH21 ARG A 15 17.783 -2.038 -4.267 1.00 0.00 H new ATOM 0 HH22 ARG A 15 18.069 -0.792 -5.486 1.00 0.00 H new ATOM 211 N THR A 16 13.523 0.262 -3.224 1.00 0.00 N ATOM 212 CA THR A 16 13.022 1.625 -3.098 1.00 0.00 C ATOM 213 C THR A 16 11.743 1.818 -3.905 1.00 0.00 C ATOM 214 O THR A 16 10.718 2.239 -3.370 1.00 0.00 O ATOM 215 CB THR A 16 14.070 2.654 -3.565 1.00 0.00 C ATOM 216 OG1 THR A 16 14.384 2.441 -4.946 1.00 0.00 O ATOM 217 CG2 THR A 16 15.337 2.552 -2.730 1.00 0.00 C ATOM 0 H THR A 16 14.506 0.196 -3.488 1.00 0.00 H new ATOM 0 HA THR A 16 12.809 1.787 -2.041 1.00 0.00 H new ATOM 0 HB THR A 16 13.650 3.652 -3.438 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.049 3.100 -5.236 1.00 0.00 H new ATOM 0 HG21 THR A 16 16.062 3.288 -3.078 1.00 0.00 H new ATOM 0 HG22 THR A 16 15.099 2.743 -1.684 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.759 1.552 -2.829 1.00 0.00 H new ATOM 225 N SER A 17 11.810 1.506 -5.195 1.00 0.00 N ATOM 226 CA SER A 17 10.658 1.648 -6.077 1.00 0.00 C ATOM 227 C SER A 17 10.177 0.286 -6.566 1.00 0.00 C ATOM 228 O SER A 17 10.623 -0.207 -7.602 1.00 0.00 O ATOM 229 CB SER A 17 11.009 2.537 -7.272 1.00 0.00 C ATOM 230 OG SER A 17 12.137 2.034 -7.967 1.00 0.00 O ATOM 0 H SER A 17 12.650 1.153 -5.653 1.00 0.00 H new ATOM 0 HA SER A 17 9.853 2.116 -5.510 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.157 2.595 -7.949 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.212 3.551 -6.928 1.00 0.00 H new ATOM 0 HG SER A 17 12.043 1.066 -8.085 1.00 0.00 H new ATOM 236 N ARG A 18 9.264 -0.318 -5.812 1.00 0.00 N ATOM 237 CA ARG A 18 8.723 -1.625 -6.167 1.00 0.00 C ATOM 238 C ARG A 18 8.115 -1.599 -7.566 1.00 0.00 C ATOM 239 O ARG A 18 7.670 -0.555 -8.042 1.00 0.00 O ATOM 240 CB ARG A 18 7.666 -2.057 -5.148 1.00 0.00 C ATOM 241 CG ARG A 18 6.293 -1.457 -5.403 1.00 0.00 C ATOM 242 CD ARG A 18 5.266 -1.973 -4.407 1.00 0.00 C ATOM 243 NE ARG A 18 3.915 -1.965 -4.961 1.00 0.00 N ATOM 244 CZ ARG A 18 3.510 -2.786 -5.924 1.00 0.00 C ATOM 245 NH1 ARG A 18 4.349 -3.676 -6.436 1.00 0.00 N ATOM 246 NH2 ARG A 18 2.264 -2.718 -6.375 1.00 0.00 N ATOM 0 H ARG A 18 8.884 0.077 -4.952 1.00 0.00 H new ATOM 0 HA ARG A 18 9.542 -2.344 -6.158 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.586 -3.144 -5.159 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.998 -1.772 -4.150 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.352 -0.371 -5.337 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.972 -1.698 -6.416 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.529 -2.988 -4.108 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.293 -1.358 -3.507 1.00 0.00 H new ATOM 0 HE ARG A 18 3.245 -1.292 -4.588 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.307 -3.731 -6.091 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.036 -4.305 -7.175 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.616 -2.035 -5.982 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.954 -3.349 -7.114 1.00 0.00 H new ATOM 260 N ALA A 19 8.100 -2.756 -8.220 1.00 0.00 N ATOM 261 CA ALA A 19 7.546 -2.867 -9.564 1.00 0.00 C ATOM 262 C ALA A 19 6.081 -2.444 -9.590 1.00 0.00 C ATOM 263 O ALA A 19 5.339 -2.628 -8.625 1.00 0.00 O ATOM 264 CB ALA A 19 7.696 -4.290 -10.081 1.00 0.00 C ATOM 0 H ALA A 19 8.465 -3.630 -7.841 1.00 0.00 H new ATOM 0 HA ALA A 19 8.103 -2.195 -10.217 1.00 0.00 H new ATOM 0 HB1 ALA A 19 7.278 -4.358 -11.085 1.00 0.00 H new ATOM 0 HB2 ALA A 19 8.752 -4.558 -10.109 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.165 -4.975 -9.420 1.00 0.00 H new ATOM 270 N PRO A 20 5.653 -1.862 -10.720 1.00 0.00 N ATOM 271 CA PRO A 20 4.273 -1.400 -10.899 1.00 0.00 C ATOM 272 C PRO A 20 3.284 -2.556 -11.003 1.00 0.00 C ATOM 273 O PRO A 20 3.672 -3.697 -11.258 1.00 0.00 O ATOM 274 CB PRO A 20 4.327 -0.622 -12.216 1.00 0.00 C ATOM 275 CG PRO A 20 5.478 -1.210 -12.956 1.00 0.00 C ATOM 276 CD PRO A 20 6.482 -1.610 -11.911 1.00 0.00 C ATOM 0 HA PRO A 20 3.929 -0.807 -10.052 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.399 -0.729 -12.778 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.472 0.444 -12.041 1.00 0.00 H new ATOM 0 HG2 PRO A 20 5.164 -2.072 -13.545 1.00 0.00 H new ATOM 0 HG3 PRO A 20 5.905 -0.487 -13.651 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.039 -2.499 -12.208 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.212 -0.821 -11.733 1.00 0.00 H new ATOM 284 N SER A 21 2.004 -2.254 -10.806 1.00 0.00 N ATOM 285 CA SER A 21 0.960 -3.269 -10.874 1.00 0.00 C ATOM 286 C SER A 21 -0.354 -2.665 -11.361 1.00 0.00 C ATOM 287 O SER A 21 -0.853 -1.694 -10.792 1.00 0.00 O ATOM 288 CB SER A 21 0.759 -3.918 -9.503 1.00 0.00 C ATOM 289 OG SER A 21 1.752 -4.897 -9.252 1.00 0.00 O ATOM 0 H SER A 21 1.666 -1.314 -10.598 1.00 0.00 H new ATOM 0 HA SER A 21 1.275 -4.032 -11.586 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.793 -3.154 -8.727 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.229 -4.377 -9.456 1.00 0.00 H new ATOM 0 HG SER A 21 2.493 -4.781 -9.883 1.00 0.00 H new ATOM 295 N VAL A 22 -0.909 -3.247 -12.419 1.00 0.00 N ATOM 296 CA VAL A 22 -2.165 -2.768 -12.984 1.00 0.00 C ATOM 297 C VAL A 22 -3.249 -2.679 -11.916 1.00 0.00 C ATOM 298 O VAL A 22 -3.670 -3.692 -11.358 1.00 0.00 O ATOM 299 CB VAL A 22 -2.655 -3.684 -14.122 1.00 0.00 C ATOM 300 CG1 VAL A 22 -3.939 -3.140 -14.730 1.00 0.00 C ATOM 301 CG2 VAL A 22 -1.576 -3.837 -15.183 1.00 0.00 C ATOM 0 H VAL A 22 -0.509 -4.051 -12.902 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.972 -1.773 -13.386 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.867 -4.669 -13.707 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.270 -3.800 -15.532 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.711 -3.086 -13.962 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.757 -2.143 -15.132 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.938 -4.487 -15.979 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.331 -2.859 -15.596 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.684 -4.275 -14.735 1.00 0.00 H new ATOM 311 N ALA A 23 -3.698 -1.460 -11.635 1.00 0.00 N ATOM 312 CA ALA A 23 -4.735 -1.238 -10.636 1.00 0.00 C ATOM 313 C ALA A 23 -5.997 -0.665 -11.271 1.00 0.00 C ATOM 314 O ALA A 23 -5.945 0.335 -11.987 1.00 0.00 O ATOM 315 CB ALA A 23 -4.225 -0.311 -9.542 1.00 0.00 C ATOM 0 H ALA A 23 -3.359 -0.610 -12.086 1.00 0.00 H new ATOM 0 HA ALA A 23 -4.988 -2.201 -10.193 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -5.010 -0.154 -8.803 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.357 -0.760 -9.060 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.942 0.646 -9.979 1.00 0.00 H new ATOM 321 N THR A 24 -7.131 -1.307 -11.007 1.00 0.00 N ATOM 322 CA THR A 24 -8.406 -0.862 -11.554 1.00 0.00 C ATOM 323 C THR A 24 -9.066 0.169 -10.645 1.00 0.00 C ATOM 324 O THR A 24 -8.666 0.342 -9.494 1.00 0.00 O ATOM 325 CB THR A 24 -9.373 -2.044 -11.758 1.00 0.00 C ATOM 326 OG1 THR A 24 -8.681 -3.146 -12.355 1.00 0.00 O ATOM 327 CG2 THR A 24 -10.546 -1.638 -12.638 1.00 0.00 C ATOM 0 H THR A 24 -7.192 -2.137 -10.417 1.00 0.00 H new ATOM 0 HA THR A 24 -8.192 -0.405 -12.520 1.00 0.00 H new ATOM 0 HB THR A 24 -9.757 -2.343 -10.783 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.302 -3.894 -12.480 1.00 0.00 H new ATOM 0 HG21 THR A 24 -11.215 -2.489 -12.768 1.00 0.00 H new ATOM 0 HG22 THR A 24 -11.088 -0.819 -12.166 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.176 -1.315 -13.611 1.00 0.00 H new ATOM 335 N VAL A 25 -10.079 0.851 -11.169 1.00 0.00 N ATOM 336 CA VAL A 25 -10.796 1.864 -10.403 1.00 0.00 C ATOM 337 C VAL A 25 -12.264 1.488 -10.233 1.00 0.00 C ATOM 338 O VAL A 25 -12.919 1.058 -11.182 1.00 0.00 O ATOM 339 CB VAL A 25 -10.706 3.245 -11.078 1.00 0.00 C ATOM 340 CG1 VAL A 25 -11.214 3.174 -12.510 1.00 0.00 C ATOM 341 CG2 VAL A 25 -11.484 4.280 -10.279 1.00 0.00 C ATOM 0 H VAL A 25 -10.422 0.721 -12.121 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.321 1.915 -9.423 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.660 3.550 -11.104 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.143 4.159 -12.971 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.610 2.464 -13.076 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -12.254 2.847 -12.511 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.410 5.250 -10.770 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.531 3.982 -10.220 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.070 4.350 -9.273 1.00 0.00 H new ATOM 351 N GLY A 26 -12.775 1.653 -9.017 1.00 0.00 N ATOM 352 CA GLY A 26 -14.162 1.327 -8.744 1.00 0.00 C ATOM 353 C GLY A 26 -14.448 -0.155 -8.888 1.00 0.00 C ATOM 354 O GLY A 26 -15.518 -0.545 -9.355 1.00 0.00 O ATOM 0 H GLY A 26 -12.253 2.007 -8.216 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.415 1.646 -7.733 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -14.804 1.886 -9.425 1.00 0.00 H new ATOM 358 N SER A 27 -13.489 -0.983 -8.488 1.00 0.00 N ATOM 359 CA SER A 27 -13.640 -2.430 -8.579 1.00 0.00 C ATOM 360 C SER A 27 -12.777 -3.134 -7.536 1.00 0.00 C ATOM 361 O SER A 27 -11.609 -2.793 -7.349 1.00 0.00 O ATOM 362 CB SER A 27 -13.265 -2.916 -9.980 1.00 0.00 C ATOM 363 OG SER A 27 -14.389 -2.903 -10.843 1.00 0.00 O ATOM 0 H SER A 27 -12.598 -0.676 -8.097 1.00 0.00 H new ATOM 0 HA SER A 27 -14.684 -2.674 -8.385 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.480 -2.281 -10.391 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.859 -3.926 -9.921 1.00 0.00 H new ATOM 0 HG SER A 27 -14.993 -2.177 -10.582 1.00 0.00 H new ATOM 369 N ILE A 28 -13.361 -4.117 -6.860 1.00 0.00 N ATOM 370 CA ILE A 28 -12.646 -4.870 -5.837 1.00 0.00 C ATOM 371 C ILE A 28 -11.312 -5.386 -6.366 1.00 0.00 C ATOM 372 O ILE A 28 -11.225 -6.505 -6.873 1.00 0.00 O ATOM 373 CB ILE A 28 -13.480 -6.061 -5.329 1.00 0.00 C ATOM 374 CG1 ILE A 28 -14.802 -5.571 -4.735 1.00 0.00 C ATOM 375 CG2 ILE A 28 -12.693 -6.857 -4.299 1.00 0.00 C ATOM 376 CD1 ILE A 28 -15.599 -6.660 -4.053 1.00 0.00 C ATOM 0 H ILE A 28 -14.327 -4.411 -7.002 1.00 0.00 H new ATOM 0 HA ILE A 28 -12.465 -4.185 -5.009 1.00 0.00 H new ATOM 0 HB ILE A 28 -13.703 -6.715 -6.172 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -14.596 -4.778 -4.016 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -15.407 -5.132 -5.529 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -13.295 -7.695 -3.949 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -11.776 -7.233 -4.753 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -12.443 -6.213 -3.456 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -16.523 -6.240 -3.656 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -15.836 -7.443 -4.773 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -15.013 -7.083 -3.237 1.00 0.00 H new ATOM 388 N CYS A 29 -10.276 -4.564 -6.242 1.00 0.00 N ATOM 389 CA CYS A 29 -8.944 -4.938 -6.706 1.00 0.00 C ATOM 390 C CYS A 29 -8.170 -5.662 -5.610 1.00 0.00 C ATOM 391 O CYS A 29 -7.920 -5.106 -4.541 1.00 0.00 O ATOM 392 CB CYS A 29 -8.173 -3.697 -7.158 1.00 0.00 C ATOM 393 SG CYS A 29 -6.890 -4.033 -8.387 1.00 0.00 S ATOM 0 H CYS A 29 -10.332 -3.635 -5.825 1.00 0.00 H new ATOM 0 HA CYS A 29 -9.057 -5.615 -7.553 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -8.877 -2.975 -7.572 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -7.713 -3.230 -6.287 1.00 0.00 H new ATOM 0 HG CYS A 29 -6.158 -2.971 -8.552 1.00 0.00 H new ATOM 399 N ASP A 30 -7.793 -6.907 -5.883 1.00 0.00 N ATOM 400 CA ASP A 30 -7.047 -7.709 -4.920 1.00 0.00 C ATOM 401 C ASP A 30 -5.606 -7.219 -4.806 1.00 0.00 C ATOM 402 O ASP A 30 -4.908 -7.074 -5.810 1.00 0.00 O ATOM 403 CB ASP A 30 -7.068 -9.183 -5.327 1.00 0.00 C ATOM 404 CG ASP A 30 -8.461 -9.778 -5.275 1.00 0.00 C ATOM 405 OD1 ASP A 30 -9.429 -9.050 -5.576 1.00 0.00 O ATOM 406 OD2 ASP A 30 -8.583 -10.973 -4.931 1.00 0.00 O ATOM 0 H ASP A 30 -7.992 -7.382 -6.763 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.526 -7.603 -3.947 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.671 -9.284 -6.337 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.410 -9.748 -4.667 1.00 0.00 H new ATOM 411 N LEU A 31 -5.169 -6.966 -3.578 1.00 0.00 N ATOM 412 CA LEU A 31 -3.811 -6.492 -3.332 1.00 0.00 C ATOM 413 C LEU A 31 -2.995 -7.542 -2.585 1.00 0.00 C ATOM 414 O LEU A 31 -3.153 -7.723 -1.379 1.00 0.00 O ATOM 415 CB LEU A 31 -3.842 -5.189 -2.531 1.00 0.00 C ATOM 416 CG LEU A 31 -2.505 -4.464 -2.378 1.00 0.00 C ATOM 417 CD1 LEU A 31 -2.091 -3.824 -3.695 1.00 0.00 C ATOM 418 CD2 LEU A 31 -2.589 -3.416 -1.278 1.00 0.00 C ATOM 0 H LEU A 31 -5.735 -7.081 -2.737 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.336 -6.308 -4.296 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.549 -4.510 -3.008 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.231 -5.407 -1.536 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.747 -5.196 -2.098 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.137 -3.312 -3.567 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.989 -4.595 -4.458 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.850 -3.105 -4.004 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.628 -2.910 -1.183 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.360 -2.687 -1.528 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.839 -3.899 -0.334 1.00 0.00 H new ATOM 430 N ASN A 32 -2.119 -8.230 -3.311 1.00 0.00 N ATOM 431 CA ASN A 32 -1.276 -9.261 -2.716 1.00 0.00 C ATOM 432 C ASN A 32 -0.171 -8.638 -1.869 1.00 0.00 C ATOM 433 O ASN A 32 0.823 -8.136 -2.396 1.00 0.00 O ATOM 434 CB ASN A 32 -0.662 -10.139 -3.808 1.00 0.00 C ATOM 435 CG ASN A 32 -0.231 -9.338 -5.021 1.00 0.00 C ATOM 436 OD1 ASN A 32 -1.050 -8.989 -5.872 1.00 0.00 O ATOM 437 ND2 ASN A 32 1.061 -9.042 -5.106 1.00 0.00 N ATOM 0 H ASN A 32 -1.975 -8.092 -4.311 1.00 0.00 H new ATOM 0 HA ASN A 32 -1.901 -9.878 -2.070 1.00 0.00 H new ATOM 0 HB2 ASN A 32 0.199 -10.670 -3.402 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -1.387 -10.894 -4.113 1.00 0.00 H new ATOM 0 HD21 ASN A 32 1.410 -8.505 -5.900 1.00 0.00 H new ATOM 0 HD22 ASN A 32 1.704 -9.352 -4.377 1.00 0.00 H new ATOM 444 N LEU A 33 -0.351 -8.674 -0.553 1.00 0.00 N ATOM 445 CA LEU A 33 0.631 -8.113 0.369 1.00 0.00 C ATOM 446 C LEU A 33 1.460 -9.217 1.019 1.00 0.00 C ATOM 447 O LEU A 33 0.922 -10.100 1.688 1.00 0.00 O ATOM 448 CB LEU A 33 -0.068 -7.283 1.447 1.00 0.00 C ATOM 449 CG LEU A 33 -0.634 -5.936 0.995 1.00 0.00 C ATOM 450 CD1 LEU A 33 -1.596 -5.385 2.036 1.00 0.00 C ATOM 451 CD2 LEU A 33 0.491 -4.947 0.730 1.00 0.00 C ATOM 0 H LEU A 33 -1.167 -9.086 -0.101 1.00 0.00 H new ATOM 0 HA LEU A 33 1.300 -7.468 -0.200 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.883 -7.876 1.862 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.640 -7.104 2.256 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.184 -6.088 0.066 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.989 -4.426 1.697 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.420 -6.085 2.177 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.070 -5.248 2.981 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.070 -3.994 0.409 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.068 -4.800 1.643 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.142 -5.337 -0.052 1.00 0.00 H new ATOM 463 N LYS A 34 2.772 -9.160 0.819 1.00 0.00 N ATOM 464 CA LYS A 34 3.677 -10.151 1.388 1.00 0.00 C ATOM 465 C LYS A 34 3.925 -9.877 2.868 1.00 0.00 C ATOM 466 O LYS A 34 4.714 -9.000 3.222 1.00 0.00 O ATOM 467 CB LYS A 34 5.006 -10.154 0.629 1.00 0.00 C ATOM 468 CG LYS A 34 4.892 -10.670 -0.795 1.00 0.00 C ATOM 469 CD LYS A 34 6.161 -10.403 -1.588 1.00 0.00 C ATOM 470 CE LYS A 34 7.183 -11.513 -1.393 1.00 0.00 C ATOM 471 NZ LYS A 34 8.562 -11.061 -1.727 1.00 0.00 N ATOM 0 H LYS A 34 3.233 -8.437 0.266 1.00 0.00 H new ATOM 0 HA LYS A 34 3.209 -11.131 1.292 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.405 -9.140 0.608 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.724 -10.768 1.173 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.690 -11.741 -0.780 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.046 -10.193 -1.289 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.918 -10.313 -2.647 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.592 -9.451 -1.278 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.154 -11.856 -0.359 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.918 -12.365 -2.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.229 -11.845 -1.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.597 -10.757 -2.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.825 -10.264 -1.112 1.00 0.00 H new ATOM 485 N ILE A 35 3.248 -10.631 3.726 1.00 0.00 N ATOM 486 CA ILE A 35 3.397 -10.470 5.167 1.00 0.00 C ATOM 487 C ILE A 35 3.642 -11.812 5.848 1.00 0.00 C ATOM 488 O ILE A 35 3.023 -12.825 5.521 1.00 0.00 O ATOM 489 CB ILE A 35 2.154 -9.809 5.792 1.00 0.00 C ATOM 490 CG1 ILE A 35 1.925 -8.425 5.182 1.00 0.00 C ATOM 491 CG2 ILE A 35 2.309 -9.710 7.302 1.00 0.00 C ATOM 492 CD1 ILE A 35 0.479 -7.981 5.217 1.00 0.00 C ATOM 0 H ILE A 35 2.591 -11.360 3.449 1.00 0.00 H new ATOM 0 HA ILE A 35 4.260 -9.823 5.324 1.00 0.00 H new ATOM 0 HB ILE A 35 1.284 -10.429 5.576 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.534 -7.696 5.717 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.270 -8.431 4.148 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.423 -9.241 7.729 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.429 -10.709 7.722 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.187 -9.109 7.539 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.391 -6.992 4.768 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.133 -8.689 4.658 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.135 -7.942 6.251 1.00 0.00 H new ATOM 504 N PRO A 36 4.566 -11.823 6.820 1.00 0.00 N ATOM 505 CA PRO A 36 4.913 -13.034 7.570 1.00 0.00 C ATOM 506 C PRO A 36 3.789 -13.482 8.499 1.00 0.00 C ATOM 507 O PRO A 36 2.648 -13.042 8.363 1.00 0.00 O ATOM 508 CB PRO A 36 6.139 -12.609 8.382 1.00 0.00 C ATOM 509 CG PRO A 36 6.007 -11.132 8.524 1.00 0.00 C ATOM 510 CD PRO A 36 5.343 -10.653 7.263 1.00 0.00 C ATOM 0 HA PRO A 36 5.094 -13.884 6.911 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.159 -13.100 9.355 1.00 0.00 H new ATOM 0 HB3 PRO A 36 7.064 -12.876 7.871 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.411 -10.876 9.400 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.983 -10.664 8.654 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.701 -9.792 7.449 1.00 0.00 H new ATOM 0 HD3 PRO A 36 6.075 -10.350 6.514 1.00 0.00 H new ATOM 518 N GLU A 37 4.121 -14.359 9.441 1.00 0.00 N ATOM 519 CA GLU A 37 3.138 -14.867 10.391 1.00 0.00 C ATOM 520 C GLU A 37 2.333 -13.724 11.004 1.00 0.00 C ATOM 521 O GLU A 37 1.221 -13.927 11.493 1.00 0.00 O ATOM 522 CB GLU A 37 3.830 -15.667 11.496 1.00 0.00 C ATOM 523 CG GLU A 37 4.418 -16.984 11.017 1.00 0.00 C ATOM 524 CD GLU A 37 3.392 -17.865 10.329 1.00 0.00 C ATOM 525 OE1 GLU A 37 3.223 -17.728 9.099 1.00 0.00 O ATOM 526 OE2 GLU A 37 2.759 -18.690 11.020 1.00 0.00 O ATOM 0 H GLU A 37 5.062 -14.732 9.567 1.00 0.00 H new ATOM 0 HA GLU A 37 2.454 -15.522 9.852 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.625 -15.060 11.929 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.113 -15.867 12.292 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.238 -16.782 10.328 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.840 -17.520 11.867 1.00 0.00 H new ATOM 533 N ILE A 38 2.903 -12.524 10.973 1.00 0.00 N ATOM 534 CA ILE A 38 2.238 -11.350 11.524 1.00 0.00 C ATOM 535 C ILE A 38 0.731 -11.417 11.306 1.00 0.00 C ATOM 536 O ILE A 38 0.246 -11.230 10.191 1.00 0.00 O ATOM 537 CB ILE A 38 2.779 -10.051 10.897 1.00 0.00 C ATOM 538 CG1 ILE A 38 4.178 -9.743 11.435 1.00 0.00 C ATOM 539 CG2 ILE A 38 1.831 -8.894 11.176 1.00 0.00 C ATOM 540 CD1 ILE A 38 4.866 -8.606 10.713 1.00 0.00 C ATOM 0 H ILE A 38 3.823 -12.339 10.573 1.00 0.00 H new ATOM 0 HA ILE A 38 2.447 -11.343 12.594 1.00 0.00 H new ATOM 0 HB ILE A 38 2.848 -10.187 9.818 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.105 -9.499 12.495 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.794 -10.639 11.356 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.227 -7.983 10.727 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.853 -9.114 10.749 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.734 -8.755 12.253 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.853 -8.443 11.147 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.971 -8.856 9.657 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.271 -7.698 10.814 1.00 0.00 H new ATOM 552 N ASN A 39 -0.005 -11.686 12.380 1.00 0.00 N ATOM 553 CA ASN A 39 -1.459 -11.777 12.306 1.00 0.00 C ATOM 554 C ASN A 39 -2.050 -10.533 11.650 1.00 0.00 C ATOM 555 O ASN A 39 -1.361 -9.530 11.464 1.00 0.00 O ATOM 556 CB ASN A 39 -2.051 -11.959 13.705 1.00 0.00 C ATOM 557 CG ASN A 39 -1.966 -13.394 14.187 1.00 0.00 C ATOM 558 OD1 ASN A 39 -2.871 -14.195 13.951 1.00 0.00 O ATOM 559 ND2 ASN A 39 -0.874 -13.726 14.866 1.00 0.00 N ATOM 0 H ASN A 39 0.381 -11.845 13.311 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.713 -12.643 11.695 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -1.525 -11.311 14.406 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.094 -11.642 13.699 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -0.760 -14.678 15.215 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -0.149 -13.029 15.038 1.00 0.00 H new ATOM 566 N SER A 40 -3.330 -10.606 11.301 1.00 0.00 N ATOM 567 CA SER A 40 -4.013 -9.487 10.662 1.00 0.00 C ATOM 568 C SER A 40 -4.750 -8.639 11.695 1.00 0.00 C ATOM 569 O SER A 40 -4.758 -7.411 11.614 1.00 0.00 O ATOM 570 CB SER A 40 -4.998 -9.997 9.608 1.00 0.00 C ATOM 571 OG SER A 40 -4.395 -10.973 8.776 1.00 0.00 O ATOM 0 H SER A 40 -3.915 -11.428 11.450 1.00 0.00 H new ATOM 0 HA SER A 40 -3.262 -8.865 10.176 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.872 -10.424 10.099 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.349 -9.163 9.000 1.00 0.00 H new ATOM 0 HG SER A 40 -5.045 -11.284 8.112 1.00 0.00 H new ATOM 577 N SER A 41 -5.368 -9.305 12.665 1.00 0.00 N ATOM 578 CA SER A 41 -6.112 -8.614 13.712 1.00 0.00 C ATOM 579 C SER A 41 -5.293 -7.464 14.291 1.00 0.00 C ATOM 580 O SER A 41 -5.846 -6.475 14.773 1.00 0.00 O ATOM 581 CB SER A 41 -6.495 -9.592 14.824 1.00 0.00 C ATOM 582 OG SER A 41 -7.667 -10.314 14.487 1.00 0.00 O ATOM 0 H SER A 41 -5.368 -10.322 12.748 1.00 0.00 H new ATOM 0 HA SER A 41 -7.020 -8.204 13.269 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.674 -10.287 15.000 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.655 -9.046 15.754 1.00 0.00 H new ATOM 0 HG SER A 41 -7.890 -10.933 15.213 1.00 0.00 H new ATOM 588 N ASP A 42 -3.973 -7.601 14.238 1.00 0.00 N ATOM 589 CA ASP A 42 -3.077 -6.573 14.756 1.00 0.00 C ATOM 590 C ASP A 42 -2.765 -5.533 13.684 1.00 0.00 C ATOM 591 O ASP A 42 -2.501 -4.372 13.991 1.00 0.00 O ATOM 592 CB ASP A 42 -1.779 -7.206 15.262 1.00 0.00 C ATOM 593 CG ASP A 42 -1.976 -7.975 16.553 1.00 0.00 C ATOM 594 OD1 ASP A 42 -2.747 -7.502 17.415 1.00 0.00 O ATOM 595 OD2 ASP A 42 -1.360 -9.051 16.702 1.00 0.00 O ATOM 0 H ASP A 42 -3.500 -8.413 13.842 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.578 -6.074 15.586 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.384 -7.877 14.499 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.034 -6.426 15.417 1.00 0.00 H new ATOM 600 N MET A 43 -2.798 -5.960 12.426 1.00 0.00 N ATOM 601 CA MET A 43 -2.520 -5.066 11.308 1.00 0.00 C ATOM 602 C MET A 43 -3.738 -4.208 10.982 1.00 0.00 C ATOM 603 O MET A 43 -4.842 -4.476 11.455 1.00 0.00 O ATOM 604 CB MET A 43 -2.102 -5.870 10.075 1.00 0.00 C ATOM 605 CG MET A 43 -0.661 -6.351 10.123 1.00 0.00 C ATOM 606 SD MET A 43 -0.034 -6.826 8.500 1.00 0.00 S ATOM 607 CE MET A 43 -1.182 -8.129 8.062 1.00 0.00 C ATOM 0 H MET A 43 -3.014 -6.919 12.155 1.00 0.00 H new ATOM 0 HA MET A 43 -1.701 -4.407 11.597 1.00 0.00 H new ATOM 0 HB2 MET A 43 -2.761 -6.732 9.973 1.00 0.00 H new ATOM 0 HB3 MET A 43 -2.242 -5.255 9.186 1.00 0.00 H new ATOM 0 HG2 MET A 43 -0.032 -5.562 10.535 1.00 0.00 H new ATOM 0 HG3 MET A 43 -0.588 -7.202 10.800 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.655 -8.907 7.510 1.00 0.00 H new ATOM 0 HE2 MET A 43 -1.612 -8.555 8.968 1.00 0.00 H new ATOM 0 HE3 MET A 43 -1.978 -7.719 7.441 1.00 0.00 H new ATOM 617 N SER A 44 -3.529 -3.176 10.170 1.00 0.00 N ATOM 618 CA SER A 44 -4.610 -2.277 9.784 1.00 0.00 C ATOM 619 C SER A 44 -4.409 -1.765 8.361 1.00 0.00 C ATOM 620 O SER A 44 -3.384 -1.162 8.046 1.00 0.00 O ATOM 621 CB SER A 44 -4.692 -1.097 10.755 1.00 0.00 C ATOM 622 OG SER A 44 -3.540 -0.278 10.662 1.00 0.00 O ATOM 0 H SER A 44 -2.622 -2.942 9.767 1.00 0.00 H new ATOM 0 HA SER A 44 -5.545 -2.836 9.822 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.581 -0.505 10.538 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.797 -1.468 11.775 1.00 0.00 H new ATOM 0 HG SER A 44 -3.181 -0.320 9.751 1.00 0.00 H new ATOM 628 N ALA A 45 -5.396 -2.011 7.505 1.00 0.00 N ATOM 629 CA ALA A 45 -5.329 -1.574 6.116 1.00 0.00 C ATOM 630 C ALA A 45 -6.366 -0.493 5.831 1.00 0.00 C ATOM 631 O ALA A 45 -7.569 -0.721 5.966 1.00 0.00 O ATOM 632 CB ALA A 45 -5.527 -2.758 5.181 1.00 0.00 C ATOM 0 H ALA A 45 -6.251 -2.510 7.749 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.341 -1.148 5.941 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.475 -2.418 4.147 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.746 -3.497 5.360 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.502 -3.208 5.366 1.00 0.00 H new ATOM 638 N HIS A 46 -5.893 0.684 5.435 1.00 0.00 N ATOM 639 CA HIS A 46 -6.780 1.801 5.130 1.00 0.00 C ATOM 640 C HIS A 46 -6.226 2.636 3.979 1.00 0.00 C ATOM 641 O HIS A 46 -5.058 3.023 3.986 1.00 0.00 O ATOM 642 CB HIS A 46 -6.972 2.680 6.367 1.00 0.00 C ATOM 643 CG HIS A 46 -7.755 2.016 7.457 1.00 0.00 C ATOM 644 ND1 HIS A 46 -7.315 0.890 8.121 1.00 0.00 N ATOM 645 CD2 HIS A 46 -8.955 2.326 8.001 1.00 0.00 C ATOM 646 CE1 HIS A 46 -8.211 0.536 9.025 1.00 0.00 C ATOM 647 NE2 HIS A 46 -9.216 1.391 8.972 1.00 0.00 N ATOM 0 H HIS A 46 -4.901 0.889 5.318 1.00 0.00 H new ATOM 0 HA HIS A 46 -7.746 1.395 4.829 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -5.994 2.965 6.755 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -7.479 3.599 6.074 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -9.589 3.155 7.723 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -8.135 -0.309 9.694 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -10.051 1.362 9.557 1.00 0.00 H new ATOM 655 N VAL A 47 -7.073 2.910 2.992 1.00 0.00 N ATOM 656 CA VAL A 47 -6.669 3.699 1.835 1.00 0.00 C ATOM 657 C VAL A 47 -6.998 5.174 2.033 1.00 0.00 C ATOM 658 O VAL A 47 -8.152 5.540 2.260 1.00 0.00 O ATOM 659 CB VAL A 47 -7.354 3.200 0.548 1.00 0.00 C ATOM 660 CG1 VAL A 47 -6.902 4.021 -0.650 1.00 0.00 C ATOM 661 CG2 VAL A 47 -7.067 1.722 0.331 1.00 0.00 C ATOM 0 H VAL A 47 -8.044 2.597 2.971 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.590 3.581 1.733 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.431 3.325 0.658 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.396 3.654 -1.550 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.163 5.068 -0.493 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.822 3.930 -0.767 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.558 1.386 -0.582 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.991 1.570 0.241 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.445 1.150 1.178 1.00 0.00 H new ATOM 671 N THR A 48 -5.976 6.020 1.946 1.00 0.00 N ATOM 672 CA THR A 48 -6.156 7.457 2.116 1.00 0.00 C ATOM 673 C THR A 48 -6.284 8.158 0.769 1.00 0.00 C ATOM 674 O THR A 48 -5.369 8.116 -0.053 1.00 0.00 O ATOM 675 CB THR A 48 -4.985 8.080 2.898 1.00 0.00 C ATOM 676 OG1 THR A 48 -4.618 7.232 3.992 1.00 0.00 O ATOM 677 CG2 THR A 48 -5.357 9.459 3.422 1.00 0.00 C ATOM 0 H THR A 48 -5.015 5.735 1.759 1.00 0.00 H new ATOM 0 HA THR A 48 -7.077 7.596 2.683 1.00 0.00 H new ATOM 0 HB THR A 48 -4.138 8.182 2.219 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.872 7.635 4.482 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.514 9.879 3.971 1.00 0.00 H new ATOM 0 HG22 THR A 48 -5.606 10.111 2.585 1.00 0.00 H new ATOM 0 HG23 THR A 48 -6.217 9.376 4.086 1.00 0.00 H new ATOM 685 N SER A 49 -7.425 8.804 0.550 1.00 0.00 N ATOM 686 CA SER A 49 -7.674 9.513 -0.700 1.00 0.00 C ATOM 687 C SER A 49 -6.814 10.770 -0.792 1.00 0.00 C ATOM 688 O SER A 49 -6.397 11.343 0.215 1.00 0.00 O ATOM 689 CB SER A 49 -9.154 9.884 -0.814 1.00 0.00 C ATOM 690 OG SER A 49 -9.409 11.148 -0.228 1.00 0.00 O ATOM 0 H SER A 49 -8.191 8.851 1.222 1.00 0.00 H new ATOM 0 HA SER A 49 -7.408 8.851 -1.524 1.00 0.00 H new ATOM 0 HB2 SER A 49 -9.448 9.900 -1.863 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.762 9.123 -0.324 1.00 0.00 H new ATOM 0 HG SER A 49 -9.887 11.715 -0.869 1.00 0.00 H new ATOM 696 N PRO A 50 -6.541 11.210 -2.029 1.00 0.00 N ATOM 697 CA PRO A 50 -5.730 12.404 -2.284 1.00 0.00 C ATOM 698 C PRO A 50 -6.444 13.688 -1.879 1.00 0.00 C ATOM 699 O PRO A 50 -5.911 14.785 -2.044 1.00 0.00 O ATOM 700 CB PRO A 50 -5.512 12.368 -3.798 1.00 0.00 C ATOM 701 CG PRO A 50 -6.669 11.594 -4.330 1.00 0.00 C ATOM 702 CD PRO A 50 -7.005 10.577 -3.275 1.00 0.00 C ATOM 0 HA PRO A 50 -4.806 12.399 -1.706 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -5.482 13.374 -4.218 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -4.566 11.889 -4.050 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.519 12.248 -4.527 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -6.414 11.109 -5.273 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -8.074 10.368 -3.245 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.499 9.628 -3.456 1.00 0.00 H new ATOM 710 N SER A 51 -7.654 13.544 -1.346 1.00 0.00 N ATOM 711 CA SER A 51 -8.443 14.694 -0.920 1.00 0.00 C ATOM 712 C SER A 51 -8.365 14.877 0.592 1.00 0.00 C ATOM 713 O SER A 51 -8.489 15.990 1.102 1.00 0.00 O ATOM 714 CB SER A 51 -9.902 14.525 -1.350 1.00 0.00 C ATOM 715 OG SER A 51 -10.511 13.440 -0.672 1.00 0.00 O ATOM 0 H SER A 51 -8.109 12.643 -1.199 1.00 0.00 H new ATOM 0 HA SER A 51 -8.031 15.583 -1.397 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.454 15.442 -1.144 1.00 0.00 H new ATOM 0 HB3 SER A 51 -9.950 14.359 -2.426 1.00 0.00 H new ATOM 0 HG SER A 51 -11.443 13.354 -0.963 1.00 0.00 H new ATOM 721 N GLY A 52 -8.157 13.774 1.305 1.00 0.00 N ATOM 722 CA GLY A 52 -8.066 13.832 2.753 1.00 0.00 C ATOM 723 C GLY A 52 -9.036 12.888 3.434 1.00 0.00 C ATOM 724 O GLY A 52 -9.404 13.093 4.590 1.00 0.00 O ATOM 0 H GLY A 52 -8.050 12.841 0.906 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.049 13.587 3.060 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.262 14.851 3.086 1.00 0.00 H new ATOM 728 N ARG A 53 -9.452 11.850 2.715 1.00 0.00 N ATOM 729 CA ARG A 53 -10.388 10.872 3.256 1.00 0.00 C ATOM 730 C ARG A 53 -9.669 9.577 3.623 1.00 0.00 C ATOM 731 O ARG A 53 -8.606 9.270 3.083 1.00 0.00 O ATOM 732 CB ARG A 53 -11.498 10.583 2.245 1.00 0.00 C ATOM 733 CG ARG A 53 -12.708 11.491 2.391 1.00 0.00 C ATOM 734 CD ARG A 53 -13.504 11.161 3.644 1.00 0.00 C ATOM 735 NE ARG A 53 -14.411 10.036 3.435 1.00 0.00 N ATOM 736 CZ ARG A 53 -15.500 10.101 2.677 1.00 0.00 C ATOM 737 NH1 ARG A 53 -15.815 11.230 2.059 1.00 0.00 N ATOM 738 NH2 ARG A 53 -16.276 9.033 2.536 1.00 0.00 N ATOM 0 H ARG A 53 -9.156 11.665 1.757 1.00 0.00 H new ATOM 0 HA ARG A 53 -10.830 11.291 4.160 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -11.096 10.687 1.237 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -11.817 9.547 2.355 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -12.382 12.530 2.429 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -13.348 11.390 1.515 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -12.818 10.927 4.458 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -14.077 12.036 3.951 1.00 0.00 H new ATOM 0 HE ARG A 53 -14.197 9.152 3.896 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -15.221 12.052 2.165 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -16.652 11.277 1.478 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -16.036 8.162 3.010 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -17.112 9.083 1.954 1.00 0.00 H new ATOM 752 N VAL A 54 -10.256 8.820 4.545 1.00 0.00 N ATOM 753 CA VAL A 54 -9.673 7.558 4.983 1.00 0.00 C ATOM 754 C VAL A 54 -10.684 6.422 4.887 1.00 0.00 C ATOM 755 O VAL A 54 -11.800 6.523 5.399 1.00 0.00 O ATOM 756 CB VAL A 54 -9.158 7.651 6.432 1.00 0.00 C ATOM 757 CG1 VAL A 54 -8.615 6.307 6.893 1.00 0.00 C ATOM 758 CG2 VAL A 54 -8.097 8.734 6.552 1.00 0.00 C ATOM 0 H VAL A 54 -11.135 9.059 5.003 1.00 0.00 H new ATOM 0 HA VAL A 54 -8.834 7.350 4.319 1.00 0.00 H new ATOM 0 HB VAL A 54 -9.993 7.920 7.079 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.256 6.392 7.919 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -9.407 5.559 6.847 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.793 6.005 6.244 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.745 8.786 7.582 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.261 8.499 5.894 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.524 9.695 6.266 1.00 0.00 H new ATOM 768 N THR A 55 -10.288 5.338 4.226 1.00 0.00 N ATOM 769 CA THR A 55 -11.160 4.182 4.061 1.00 0.00 C ATOM 770 C THR A 55 -10.569 2.948 4.732 1.00 0.00 C ATOM 771 O THR A 55 -9.389 2.926 5.082 1.00 0.00 O ATOM 772 CB THR A 55 -11.409 3.874 2.573 1.00 0.00 C ATOM 773 OG1 THR A 55 -11.397 5.088 1.813 1.00 0.00 O ATOM 774 CG2 THR A 55 -12.741 3.164 2.382 1.00 0.00 C ATOM 0 H THR A 55 -9.368 5.237 3.796 1.00 0.00 H new ATOM 0 HA THR A 55 -12.109 4.431 4.536 1.00 0.00 H new ATOM 0 HB THR A 55 -10.612 3.218 2.223 1.00 0.00 H new ATOM 0 HG1 THR A 55 -11.554 4.884 0.868 1.00 0.00 H new ATOM 0 HG21 THR A 55 -12.894 2.957 1.323 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.737 2.226 2.938 1.00 0.00 H new ATOM 0 HG23 THR A 55 -13.548 3.799 2.748 1.00 0.00 H new ATOM 782 N GLU A 56 -11.396 1.921 4.907 1.00 0.00 N ATOM 783 CA GLU A 56 -10.953 0.683 5.536 1.00 0.00 C ATOM 784 C GLU A 56 -11.005 -0.479 4.547 1.00 0.00 C ATOM 785 O GLU A 56 -11.952 -0.605 3.772 1.00 0.00 O ATOM 786 CB GLU A 56 -11.819 0.367 6.757 1.00 0.00 C ATOM 787 CG GLU A 56 -11.495 -0.970 7.403 1.00 0.00 C ATOM 788 CD GLU A 56 -12.276 -1.203 8.682 1.00 0.00 C ATOM 789 OE1 GLU A 56 -12.008 -0.501 9.679 1.00 0.00 O ATOM 790 OE2 GLU A 56 -13.156 -2.090 8.686 1.00 0.00 O ATOM 0 H GLU A 56 -12.375 1.923 4.622 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.920 0.818 5.857 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.693 1.158 7.496 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -12.868 0.373 6.460 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.712 -1.772 6.698 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.428 -1.016 7.620 1.00 0.00 H new ATOM 797 N ALA A 57 -9.981 -1.324 4.582 1.00 0.00 N ATOM 798 CA ALA A 57 -9.910 -2.476 3.691 1.00 0.00 C ATOM 799 C ALA A 57 -9.878 -3.780 4.481 1.00 0.00 C ATOM 800 O ALA A 57 -9.506 -3.796 5.654 1.00 0.00 O ATOM 801 CB ALA A 57 -8.688 -2.372 2.790 1.00 0.00 C ATOM 0 H ALA A 57 -9.189 -1.233 5.218 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.806 -2.480 3.070 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.648 -3.239 2.130 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.753 -1.463 2.192 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.787 -2.340 3.402 1.00 0.00 H new ATOM 807 N GLU A 58 -10.271 -4.870 3.830 1.00 0.00 N ATOM 808 CA GLU A 58 -10.289 -6.178 4.474 1.00 0.00 C ATOM 809 C GLU A 58 -9.014 -6.956 4.160 1.00 0.00 C ATOM 810 O GLU A 58 -8.332 -6.678 3.173 1.00 0.00 O ATOM 811 CB GLU A 58 -11.512 -6.978 4.021 1.00 0.00 C ATOM 812 CG GLU A 58 -11.777 -8.214 4.864 1.00 0.00 C ATOM 813 CD GLU A 58 -11.539 -7.975 6.342 1.00 0.00 C ATOM 814 OE1 GLU A 58 -12.109 -7.006 6.886 1.00 0.00 O ATOM 815 OE2 GLU A 58 -10.782 -8.756 6.955 1.00 0.00 O ATOM 0 H GLU A 58 -10.581 -4.873 2.858 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.344 -6.023 5.552 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.390 -6.332 4.052 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -11.374 -7.279 2.983 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.807 -8.538 4.714 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.135 -9.026 4.523 1.00 0.00 H new ATOM 822 N ILE A 59 -8.699 -7.930 5.007 1.00 0.00 N ATOM 823 CA ILE A 59 -7.507 -8.748 4.821 1.00 0.00 C ATOM 824 C ILE A 59 -7.863 -10.229 4.742 1.00 0.00 C ATOM 825 O ILE A 59 -8.089 -10.879 5.763 1.00 0.00 O ATOM 826 CB ILE A 59 -6.494 -8.535 5.961 1.00 0.00 C ATOM 827 CG1 ILE A 59 -6.160 -7.049 6.105 1.00 0.00 C ATOM 828 CG2 ILE A 59 -5.231 -9.345 5.705 1.00 0.00 C ATOM 829 CD1 ILE A 59 -5.257 -6.744 7.280 1.00 0.00 C ATOM 0 H ILE A 59 -9.253 -8.172 5.829 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.054 -8.435 3.880 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.941 -8.880 6.894 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.681 -6.702 5.189 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.087 -6.485 6.213 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.524 -9.184 6.519 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.483 -10.404 5.647 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.780 -9.028 4.765 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.062 -5.672 7.321 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.742 -7.060 8.203 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.315 -7.280 7.164 1.00 0.00 H new ATOM 841 N VAL A 60 -7.910 -10.757 3.523 1.00 0.00 N ATOM 842 CA VAL A 60 -8.235 -12.162 3.310 1.00 0.00 C ATOM 843 C VAL A 60 -6.989 -13.035 3.403 1.00 0.00 C ATOM 844 O VAL A 60 -6.012 -12.845 2.679 1.00 0.00 O ATOM 845 CB VAL A 60 -8.902 -12.382 1.939 1.00 0.00 C ATOM 846 CG1 VAL A 60 -9.393 -13.816 1.809 1.00 0.00 C ATOM 847 CG2 VAL A 60 -10.045 -11.399 1.739 1.00 0.00 C ATOM 0 H VAL A 60 -7.727 -10.232 2.668 1.00 0.00 H new ATOM 0 HA VAL A 60 -8.934 -12.448 4.096 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.160 -12.205 1.160 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -9.861 -13.953 0.834 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -8.550 -14.500 1.906 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -10.120 -14.024 2.594 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -10.505 -11.569 0.765 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -10.790 -11.543 2.522 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -9.661 -10.380 1.786 1.00 0.00 H new ATOM 857 N PRO A 61 -7.021 -14.018 4.316 1.00 0.00 N ATOM 858 CA PRO A 61 -5.902 -14.941 4.525 1.00 0.00 C ATOM 859 C PRO A 61 -5.717 -15.901 3.355 1.00 0.00 C ATOM 860 O PRO A 61 -6.611 -16.684 3.034 1.00 0.00 O ATOM 861 CB PRO A 61 -6.306 -15.708 5.787 1.00 0.00 C ATOM 862 CG PRO A 61 -7.794 -15.633 5.816 1.00 0.00 C ATOM 863 CD PRO A 61 -8.153 -14.302 5.214 1.00 0.00 C ATOM 0 HA PRO A 61 -4.951 -14.416 4.615 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -5.962 -16.742 5.749 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.870 -15.260 6.680 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.237 -16.451 5.248 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.169 -15.714 6.836 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -9.096 -14.348 4.670 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.263 -13.532 5.978 1.00 0.00 H new ATOM 871 N MET A 62 -4.550 -15.836 2.721 1.00 0.00 N ATOM 872 CA MET A 62 -4.248 -16.702 1.587 1.00 0.00 C ATOM 873 C MET A 62 -3.182 -17.728 1.957 1.00 0.00 C ATOM 874 O MET A 62 -2.252 -17.975 1.190 1.00 0.00 O ATOM 875 CB MET A 62 -3.778 -15.868 0.393 1.00 0.00 C ATOM 876 CG MET A 62 -4.818 -14.877 -0.102 1.00 0.00 C ATOM 877 SD MET A 62 -4.691 -14.564 -1.873 1.00 0.00 S ATOM 878 CE MET A 62 -6.309 -15.093 -2.428 1.00 0.00 C ATOM 0 H MET A 62 -3.799 -15.193 2.973 1.00 0.00 H new ATOM 0 HA MET A 62 -5.159 -17.234 1.313 1.00 0.00 H new ATOM 0 HB2 MET A 62 -2.875 -15.325 0.672 1.00 0.00 H new ATOM 0 HB3 MET A 62 -3.508 -16.537 -0.424 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.814 -15.257 0.125 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.705 -13.937 0.438 1.00 0.00 H new ATOM 0 HE1 MET A 62 -6.385 -14.960 -3.507 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.453 -16.145 -2.181 1.00 0.00 H new ATOM 0 HE3 MET A 62 -7.076 -14.496 -1.934 1.00 0.00 H new ATOM 888 N GLY A 63 -3.323 -18.324 3.137 1.00 0.00 N ATOM 889 CA GLY A 63 -2.365 -19.317 3.587 1.00 0.00 C ATOM 890 C GLY A 63 -1.344 -18.742 4.548 1.00 0.00 C ATOM 891 O GLY A 63 -1.609 -17.752 5.230 1.00 0.00 O ATOM 0 H GLY A 63 -4.084 -18.137 3.790 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -2.896 -20.136 4.073 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.850 -19.738 2.724 1.00 0.00 H new ATOM 895 N LYS A 64 -0.172 -19.366 4.607 1.00 0.00 N ATOM 896 CA LYS A 64 0.894 -18.913 5.492 1.00 0.00 C ATOM 897 C LYS A 64 1.705 -17.798 4.840 1.00 0.00 C ATOM 898 O LYS A 64 1.900 -17.788 3.626 1.00 0.00 O ATOM 899 CB LYS A 64 1.813 -20.080 5.858 1.00 0.00 C ATOM 900 CG LYS A 64 3.076 -19.655 6.586 1.00 0.00 C ATOM 901 CD LYS A 64 4.082 -20.792 6.668 1.00 0.00 C ATOM 902 CE LYS A 64 5.160 -20.508 7.702 1.00 0.00 C ATOM 903 NZ LYS A 64 6.324 -19.793 7.108 1.00 0.00 N ATOM 0 H LYS A 64 0.063 -20.188 4.051 1.00 0.00 H new ATOM 0 HA LYS A 64 0.436 -18.522 6.400 1.00 0.00 H new ATOM 0 HB2 LYS A 64 1.262 -20.783 6.483 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.090 -20.612 4.948 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.526 -18.806 6.071 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.822 -19.319 7.591 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.566 -21.718 6.923 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.543 -20.942 5.692 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.740 -19.909 8.510 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.497 -21.446 8.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.037 -19.618 7.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.741 -20.375 6.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.008 -18.886 6.710 1.00 0.00 H new ATOM 917 N ASN A 65 2.178 -16.861 5.656 1.00 0.00 N ATOM 918 CA ASN A 65 2.970 -15.742 5.158 1.00 0.00 C ATOM 919 C ASN A 65 2.339 -15.145 3.904 1.00 0.00 C ATOM 920 O ASN A 65 3.026 -14.551 3.074 1.00 0.00 O ATOM 921 CB ASN A 65 4.400 -16.196 4.857 1.00 0.00 C ATOM 922 CG ASN A 65 5.235 -15.097 4.229 1.00 0.00 C ATOM 923 OD1 ASN A 65 5.115 -13.927 4.592 1.00 0.00 O ATOM 924 ND2 ASN A 65 6.087 -15.470 3.281 1.00 0.00 N ATOM 0 H ASN A 65 2.027 -16.855 6.665 1.00 0.00 H new ATOM 0 HA ASN A 65 2.995 -14.974 5.931 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.875 -16.527 5.780 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.372 -17.055 4.187 1.00 0.00 H new ATOM 0 HD21 ASN A 65 6.675 -14.775 2.822 1.00 0.00 H new ATOM 0 HD22 ASN A 65 6.153 -16.452 3.012 1.00 0.00 H new ATOM 931 N SER A 66 1.026 -15.307 3.774 1.00 0.00 N ATOM 932 CA SER A 66 0.302 -14.787 2.620 1.00 0.00 C ATOM 933 C SER A 66 -0.919 -13.985 3.061 1.00 0.00 C ATOM 934 O SER A 66 -1.637 -14.381 3.979 1.00 0.00 O ATOM 935 CB SER A 66 -0.130 -15.933 1.703 1.00 0.00 C ATOM 936 OG SER A 66 0.990 -16.535 1.077 1.00 0.00 O ATOM 0 H SER A 66 0.442 -15.794 4.454 1.00 0.00 H new ATOM 0 HA SER A 66 0.971 -14.125 2.071 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.673 -16.681 2.281 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.816 -15.557 0.944 1.00 0.00 H new ATOM 0 HG SER A 66 1.492 -17.057 1.737 1.00 0.00 H new ATOM 942 N HIS A 67 -1.147 -12.855 2.399 1.00 0.00 N ATOM 943 CA HIS A 67 -2.281 -11.997 2.721 1.00 0.00 C ATOM 944 C HIS A 67 -2.737 -11.214 1.493 1.00 0.00 C ATOM 945 O HIS A 67 -1.917 -10.775 0.686 1.00 0.00 O ATOM 946 CB HIS A 67 -1.913 -11.031 3.848 1.00 0.00 C ATOM 947 CG HIS A 67 -1.608 -11.713 5.146 1.00 0.00 C ATOM 948 ND1 HIS A 67 -0.450 -12.218 5.630 1.00 0.00 N flip ATOM 949 CD2 HIS A 67 -2.560 -11.943 6.117 1.00 0.00 C flip ATOM 950 CE1 HIS A 67 -0.719 -12.737 6.872 1.00 0.00 C flip ATOM 951 NE2 HIS A 67 -2.000 -12.558 7.143 1.00 0.00 N flip ATOM 0 H HIS A 67 -0.562 -12.513 1.637 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.103 -12.632 3.051 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -1.047 -10.444 3.543 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -2.735 -10.332 3.999 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -3.601 -11.664 6.049 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -0.001 -13.214 7.522 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -2.475 -12.846 7.998 1.00 0.00 H new ATOM 959 N CYS A 68 -4.047 -11.045 1.358 1.00 0.00 N ATOM 960 CA CYS A 68 -4.611 -10.316 0.227 1.00 0.00 C ATOM 961 C CYS A 68 -5.686 -9.338 0.692 1.00 0.00 C ATOM 962 O CYS A 68 -6.640 -9.723 1.368 1.00 0.00 O ATOM 963 CB CYS A 68 -5.200 -11.293 -0.792 1.00 0.00 C ATOM 964 SG CYS A 68 -5.155 -10.695 -2.498 1.00 0.00 S ATOM 0 H CYS A 68 -4.739 -11.402 2.017 1.00 0.00 H new ATOM 0 HA CYS A 68 -3.809 -9.749 -0.245 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.655 -12.235 -0.734 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -6.234 -11.506 -0.520 1.00 0.00 H new ATOM 0 HG CYS A 68 -5.672 -11.591 -3.286 1.00 0.00 H new ATOM 970 N VAL A 69 -5.523 -8.071 0.325 1.00 0.00 N ATOM 971 CA VAL A 69 -6.478 -7.037 0.705 1.00 0.00 C ATOM 972 C VAL A 69 -7.400 -6.687 -0.458 1.00 0.00 C ATOM 973 O VAL A 69 -6.982 -6.048 -1.424 1.00 0.00 O ATOM 974 CB VAL A 69 -5.763 -5.759 1.181 1.00 0.00 C ATOM 975 CG1 VAL A 69 -6.771 -4.740 1.690 1.00 0.00 C ATOM 976 CG2 VAL A 69 -4.739 -6.091 2.256 1.00 0.00 C ATOM 0 H VAL A 69 -4.739 -7.736 -0.235 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.070 -7.440 1.527 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.237 -5.321 0.333 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.247 -3.844 2.022 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.462 -4.480 0.888 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.328 -5.165 2.525 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.243 -5.176 2.581 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.241 -6.553 3.106 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.998 -6.781 1.852 1.00 0.00 H new ATOM 986 N ARG A 70 -8.656 -7.109 -0.358 1.00 0.00 N ATOM 987 CA ARG A 70 -9.638 -6.841 -1.402 1.00 0.00 C ATOM 988 C ARG A 70 -10.428 -5.573 -1.093 1.00 0.00 C ATOM 989 O ARG A 70 -11.101 -5.483 -0.066 1.00 0.00 O ATOM 990 CB ARG A 70 -10.593 -8.026 -1.551 1.00 0.00 C ATOM 991 CG ARG A 70 -11.356 -8.357 -0.278 1.00 0.00 C ATOM 992 CD ARG A 70 -12.149 -9.646 -0.423 1.00 0.00 C ATOM 993 NE ARG A 70 -12.944 -9.936 0.767 1.00 0.00 N ATOM 994 CZ ARG A 70 -14.102 -9.346 1.040 1.00 0.00 C ATOM 995 NH1 ARG A 70 -14.599 -8.439 0.210 1.00 0.00 N ATOM 996 NH2 ARG A 70 -14.767 -9.664 2.143 1.00 0.00 N ATOM 0 H ARG A 70 -9.018 -7.638 0.435 1.00 0.00 H new ATOM 0 HA ARG A 70 -9.102 -6.695 -2.340 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -11.306 -7.809 -2.346 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.025 -8.903 -1.863 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.657 -8.450 0.553 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -12.033 -7.538 -0.035 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -12.807 -9.572 -1.289 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.465 -10.473 -0.612 1.00 0.00 H new ATOM 0 HE ARG A 70 -12.590 -10.630 1.425 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -14.092 -8.193 -0.640 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -15.489 -7.987 0.422 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -14.389 -10.363 2.783 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -15.656 -9.210 2.351 1.00 0.00 H new ATOM 1010 N PHE A 71 -10.341 -4.594 -1.988 1.00 0.00 N ATOM 1011 CA PHE A 71 -11.046 -3.330 -1.810 1.00 0.00 C ATOM 1012 C PHE A 71 -11.210 -2.607 -3.143 1.00 0.00 C ATOM 1013 O PHE A 71 -10.583 -2.966 -4.139 1.00 0.00 O ATOM 1014 CB PHE A 71 -10.294 -2.437 -0.821 1.00 0.00 C ATOM 1015 CG PHE A 71 -8.868 -2.175 -1.214 1.00 0.00 C ATOM 1016 CD1 PHE A 71 -7.884 -3.119 -0.968 1.00 0.00 C ATOM 1017 CD2 PHE A 71 -8.513 -0.986 -1.829 1.00 0.00 C ATOM 1018 CE1 PHE A 71 -6.571 -2.881 -1.329 1.00 0.00 C ATOM 1019 CE2 PHE A 71 -7.202 -0.743 -2.192 1.00 0.00 C ATOM 1020 CZ PHE A 71 -6.229 -1.691 -1.941 1.00 0.00 C ATOM 0 H PHE A 71 -9.789 -4.652 -2.844 1.00 0.00 H new ATOM 0 HA PHE A 71 -12.037 -3.548 -1.411 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -10.818 -1.486 -0.732 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -10.311 -2.904 0.164 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -8.146 -4.051 -0.489 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -9.269 -0.241 -2.027 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -5.813 -3.625 -1.133 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -6.938 0.188 -2.672 1.00 0.00 H new ATOM 0 HZ PHE A 71 -5.204 -1.502 -2.223 1.00 0.00 H new ATOM 1030 N VAL A 72 -12.060 -1.584 -3.154 1.00 0.00 N ATOM 1031 CA VAL A 72 -12.307 -0.808 -4.363 1.00 0.00 C ATOM 1032 C VAL A 72 -11.620 0.551 -4.295 1.00 0.00 C ATOM 1033 O VAL A 72 -12.178 1.532 -3.804 1.00 0.00 O ATOM 1034 CB VAL A 72 -13.815 -0.598 -4.597 1.00 0.00 C ATOM 1035 CG1 VAL A 72 -14.060 0.055 -5.948 1.00 0.00 C ATOM 1036 CG2 VAL A 72 -14.559 -1.921 -4.492 1.00 0.00 C ATOM 0 H VAL A 72 -12.589 -1.274 -2.339 1.00 0.00 H new ATOM 0 HA VAL A 72 -11.894 -1.379 -5.195 1.00 0.00 H new ATOM 0 HB VAL A 72 -14.196 0.069 -3.824 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -15.131 0.195 -6.095 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -13.559 1.023 -5.981 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -13.666 -0.584 -6.738 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -15.623 -1.754 -4.660 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -14.177 -2.614 -5.242 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -14.410 -2.344 -3.499 1.00 0.00 H new ATOM 1046 N PRO A 73 -10.379 0.613 -4.799 1.00 0.00 N ATOM 1047 CA PRO A 73 -9.588 1.847 -4.808 1.00 0.00 C ATOM 1048 C PRO A 73 -10.141 2.882 -5.782 1.00 0.00 C ATOM 1049 O PRO A 73 -9.674 2.992 -6.915 1.00 0.00 O ATOM 1050 CB PRO A 73 -8.202 1.378 -5.257 1.00 0.00 C ATOM 1051 CG PRO A 73 -8.458 0.136 -6.039 1.00 0.00 C ATOM 1052 CD PRO A 73 -9.652 -0.518 -5.400 1.00 0.00 C ATOM 0 HA PRO A 73 -9.591 2.340 -3.836 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.706 2.134 -5.866 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.554 1.182 -4.403 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.654 0.368 -7.086 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.592 -0.525 -6.015 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -10.263 -1.044 -6.134 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -9.355 -1.250 -4.649 1.00 0.00 H new ATOM 1060 N GLN A 74 -11.137 3.639 -5.332 1.00 0.00 N ATOM 1061 CA GLN A 74 -11.753 4.665 -6.165 1.00 0.00 C ATOM 1062 C GLN A 74 -11.528 6.053 -5.574 1.00 0.00 C ATOM 1063 O GLN A 74 -12.050 6.374 -4.507 1.00 0.00 O ATOM 1064 CB GLN A 74 -13.251 4.398 -6.316 1.00 0.00 C ATOM 1065 CG GLN A 74 -14.011 4.434 -5.000 1.00 0.00 C ATOM 1066 CD GLN A 74 -15.389 3.809 -5.104 1.00 0.00 C ATOM 1067 OE1 GLN A 74 -15.899 3.583 -6.201 1.00 0.00 O ATOM 1068 NE2 GLN A 74 -15.998 3.526 -3.959 1.00 0.00 N ATOM 0 H GLN A 74 -11.534 3.561 -4.396 1.00 0.00 H new ATOM 0 HA GLN A 74 -11.284 4.629 -7.149 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -13.677 5.139 -6.993 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -13.393 3.423 -6.781 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -13.435 3.909 -4.238 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -14.109 5.468 -4.670 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -15.537 3.731 -3.072 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -16.927 3.104 -3.966 1.00 0.00 H new ATOM 1077 N GLU A 75 -10.749 6.870 -6.275 1.00 0.00 N ATOM 1078 CA GLU A 75 -10.456 8.223 -5.818 1.00 0.00 C ATOM 1079 C GLU A 75 -10.374 9.190 -6.996 1.00 0.00 C ATOM 1080 O GLU A 75 -10.554 8.797 -8.148 1.00 0.00 O ATOM 1081 CB GLU A 75 -9.143 8.246 -5.032 1.00 0.00 C ATOM 1082 CG GLU A 75 -9.038 7.147 -3.988 1.00 0.00 C ATOM 1083 CD GLU A 75 -9.842 7.452 -2.739 1.00 0.00 C ATOM 1084 OE1 GLU A 75 -10.997 7.906 -2.873 1.00 0.00 O ATOM 1085 OE2 GLU A 75 -9.315 7.236 -1.627 1.00 0.00 O ATOM 0 H GLU A 75 -10.310 6.619 -7.161 1.00 0.00 H new ATOM 0 HA GLU A 75 -11.268 8.542 -5.165 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.310 8.153 -5.729 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -9.041 9.213 -4.540 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.384 6.207 -4.418 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.992 7.007 -3.717 1.00 0.00 H new ATOM 1092 N MET A 76 -10.101 10.456 -6.697 1.00 0.00 N ATOM 1093 CA MET A 76 -9.995 11.479 -7.730 1.00 0.00 C ATOM 1094 C MET A 76 -8.534 11.752 -8.077 1.00 0.00 C ATOM 1095 O MET A 76 -8.228 12.669 -8.838 1.00 0.00 O ATOM 1096 CB MET A 76 -10.672 12.772 -7.271 1.00 0.00 C ATOM 1097 CG MET A 76 -12.185 12.665 -7.176 1.00 0.00 C ATOM 1098 SD MET A 76 -12.992 14.275 -7.094 1.00 0.00 S ATOM 1099 CE MET A 76 -14.531 13.842 -6.288 1.00 0.00 C ATOM 0 H MET A 76 -9.949 10.798 -5.748 1.00 0.00 H new ATOM 0 HA MET A 76 -10.500 11.111 -8.623 1.00 0.00 H new ATOM 0 HB2 MET A 76 -10.274 13.055 -6.296 1.00 0.00 H new ATOM 0 HB3 MET A 76 -10.415 13.573 -7.965 1.00 0.00 H new ATOM 0 HG2 MET A 76 -12.562 12.118 -8.040 1.00 0.00 H new ATOM 0 HG3 MET A 76 -12.449 12.085 -6.292 1.00 0.00 H new ATOM 0 HE1 MET A 76 -15.142 14.736 -6.166 1.00 0.00 H new ATOM 0 HE2 MET A 76 -15.069 13.116 -6.897 1.00 0.00 H new ATOM 0 HE3 MET A 76 -14.320 13.410 -5.310 1.00 0.00 H new ATOM 1109 N GLY A 77 -7.637 10.949 -7.513 1.00 0.00 N ATOM 1110 CA GLY A 77 -6.220 11.121 -7.775 1.00 0.00 C ATOM 1111 C GLY A 77 -5.417 9.874 -7.462 1.00 0.00 C ATOM 1112 O GLY A 77 -5.800 8.767 -7.843 1.00 0.00 O ATOM 0 H GLY A 77 -7.866 10.183 -6.880 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.077 11.388 -8.822 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.842 11.952 -7.180 1.00 0.00 H new ATOM 1116 N VAL A 78 -4.298 10.051 -6.767 1.00 0.00 N ATOM 1117 CA VAL A 78 -3.438 8.931 -6.403 1.00 0.00 C ATOM 1118 C VAL A 78 -3.917 8.265 -5.118 1.00 0.00 C ATOM 1119 O VAL A 78 -4.356 8.937 -4.184 1.00 0.00 O ATOM 1120 CB VAL A 78 -1.976 9.382 -6.221 1.00 0.00 C ATOM 1121 CG1 VAL A 78 -1.816 10.166 -4.927 1.00 0.00 C ATOM 1122 CG2 VAL A 78 -1.042 8.181 -6.246 1.00 0.00 C ATOM 0 H VAL A 78 -3.966 10.960 -6.445 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.490 8.213 -7.222 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.710 10.038 -7.050 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -0.777 10.476 -4.816 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.457 11.047 -4.954 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.099 9.537 -4.083 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.013 8.517 -6.116 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -1.305 7.498 -5.438 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.137 7.666 -7.202 1.00 0.00 H new ATOM 1132 N HIS A 79 -3.829 6.940 -5.076 1.00 0.00 N ATOM 1133 CA HIS A 79 -4.253 6.182 -3.904 1.00 0.00 C ATOM 1134 C HIS A 79 -3.046 5.701 -3.103 1.00 0.00 C ATOM 1135 O HIS A 79 -2.023 5.318 -3.671 1.00 0.00 O ATOM 1136 CB HIS A 79 -5.109 4.987 -4.325 1.00 0.00 C ATOM 1137 CG HIS A 79 -6.221 5.348 -5.262 1.00 0.00 C ATOM 1138 ND1 HIS A 79 -6.087 6.287 -6.262 1.00 0.00 N ATOM 1139 CD2 HIS A 79 -7.491 4.888 -5.347 1.00 0.00 C ATOM 1140 CE1 HIS A 79 -7.228 6.390 -6.921 1.00 0.00 C ATOM 1141 NE2 HIS A 79 -8.096 5.552 -6.385 1.00 0.00 N ATOM 0 H HIS A 79 -3.468 6.368 -5.840 1.00 0.00 H new ATOM 0 HA HIS A 79 -4.848 6.841 -3.272 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.471 4.243 -4.801 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -5.532 4.521 -3.435 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -7.944 4.138 -4.716 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -7.418 7.048 -7.756 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -9.060 5.419 -6.692 1.00 0.00 H new ATOM 1149 N THR A 80 -3.173 5.724 -1.780 1.00 0.00 N ATOM 1150 CA THR A 80 -2.094 5.293 -0.901 1.00 0.00 C ATOM 1151 C THR A 80 -2.611 4.359 0.187 1.00 0.00 C ATOM 1152 O THR A 80 -3.454 4.741 0.999 1.00 0.00 O ATOM 1153 CB THR A 80 -1.393 6.495 -0.240 1.00 0.00 C ATOM 1154 OG1 THR A 80 -1.166 7.524 -1.210 1.00 0.00 O ATOM 1155 CG2 THR A 80 -0.070 6.075 0.381 1.00 0.00 C ATOM 0 H THR A 80 -4.013 6.037 -1.294 1.00 0.00 H new ATOM 0 HA THR A 80 -1.375 4.759 -1.522 1.00 0.00 H new ATOM 0 HB THR A 80 -2.041 6.877 0.549 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.722 8.285 -0.782 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.407 6.940 0.842 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.250 5.313 1.139 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.583 5.670 -0.392 1.00 0.00 H new ATOM 1163 N VAL A 81 -2.100 3.132 0.199 1.00 0.00 N ATOM 1164 CA VAL A 81 -2.509 2.143 1.190 1.00 0.00 C ATOM 1165 C VAL A 81 -1.642 2.227 2.441 1.00 0.00 C ATOM 1166 O VAL A 81 -0.452 1.911 2.407 1.00 0.00 O ATOM 1167 CB VAL A 81 -2.433 0.714 0.621 1.00 0.00 C ATOM 1168 CG1 VAL A 81 -2.721 -0.310 1.708 1.00 0.00 C ATOM 1169 CG2 VAL A 81 -3.397 0.553 -0.545 1.00 0.00 C ATOM 0 H VAL A 81 -1.402 2.799 -0.466 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.543 2.367 1.453 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.422 0.541 0.253 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.663 -1.314 1.287 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.987 -0.209 2.507 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.720 -0.143 2.110 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.330 -0.463 -0.935 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.415 0.745 -0.205 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.138 1.261 -1.332 1.00 0.00 H new ATOM 1179 N SER A 82 -2.245 2.655 3.545 1.00 0.00 N ATOM 1180 CA SER A 82 -1.527 2.784 4.808 1.00 0.00 C ATOM 1181 C SER A 82 -1.625 1.498 5.622 1.00 0.00 C ATOM 1182 O SER A 82 -2.622 1.253 6.301 1.00 0.00 O ATOM 1183 CB SER A 82 -2.083 3.957 5.617 1.00 0.00 C ATOM 1184 OG SER A 82 -2.133 5.138 4.836 1.00 0.00 O ATOM 0 H SER A 82 -3.229 2.919 3.591 1.00 0.00 H new ATOM 0 HA SER A 82 -0.477 2.972 4.584 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.082 3.713 5.977 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.460 4.125 6.495 1.00 0.00 H new ATOM 0 HG SER A 82 -2.494 5.872 5.376 1.00 0.00 H new ATOM 1190 N VAL A 83 -0.581 0.678 5.549 1.00 0.00 N ATOM 1191 CA VAL A 83 -0.547 -0.583 6.280 1.00 0.00 C ATOM 1192 C VAL A 83 0.469 -0.534 7.416 1.00 0.00 C ATOM 1193 O VAL A 83 1.670 -0.400 7.184 1.00 0.00 O ATOM 1194 CB VAL A 83 -0.203 -1.762 5.349 1.00 0.00 C ATOM 1195 CG1 VAL A 83 -0.081 -3.052 6.145 1.00 0.00 C ATOM 1196 CG2 VAL A 83 -1.249 -1.898 4.253 1.00 0.00 C ATOM 0 H VAL A 83 0.252 0.865 4.991 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.544 -0.735 6.695 1.00 0.00 H new ATOM 0 HB VAL A 83 0.759 -1.562 4.878 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.162 -3.874 5.471 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.709 -2.947 6.889 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.026 -3.261 6.646 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.990 -2.735 3.605 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.226 -2.075 4.702 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.281 -0.981 3.665 1.00 0.00 H new ATOM 1206 N LYS A 84 -0.022 -0.642 8.646 1.00 0.00 N ATOM 1207 CA LYS A 84 0.842 -0.611 9.820 1.00 0.00 C ATOM 1208 C LYS A 84 0.631 -1.851 10.683 1.00 0.00 C ATOM 1209 O LYS A 84 -0.463 -2.414 10.720 1.00 0.00 O ATOM 1210 CB LYS A 84 0.572 0.649 10.645 1.00 0.00 C ATOM 1211 CG LYS A 84 1.081 1.923 9.993 1.00 0.00 C ATOM 1212 CD LYS A 84 0.691 3.154 10.794 1.00 0.00 C ATOM 1213 CE LYS A 84 -0.656 3.704 10.351 1.00 0.00 C ATOM 1214 NZ LYS A 84 -1.196 4.697 11.321 1.00 0.00 N ATOM 0 H LYS A 84 -1.014 -0.752 8.856 1.00 0.00 H new ATOM 0 HA LYS A 84 1.877 -0.599 9.478 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.501 0.740 10.813 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.040 0.540 11.624 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.166 1.877 9.900 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.678 2.002 8.983 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.652 2.902 11.854 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.455 3.922 10.677 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.553 4.172 9.372 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -1.364 2.883 10.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.115 5.048 10.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.318 4.244 12.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.532 5.493 11.409 1.00 0.00 H new ATOM 1228 N TYR A 85 1.684 -2.270 11.376 1.00 0.00 N ATOM 1229 CA TYR A 85 1.614 -3.444 12.238 1.00 0.00 C ATOM 1230 C TYR A 85 1.987 -3.088 13.674 1.00 0.00 C ATOM 1231 O TYR A 85 3.130 -2.732 13.960 1.00 0.00 O ATOM 1232 CB TYR A 85 2.542 -4.542 11.716 1.00 0.00 C ATOM 1233 CG TYR A 85 2.730 -5.687 12.685 1.00 0.00 C ATOM 1234 CD1 TYR A 85 1.638 -6.390 13.180 1.00 0.00 C ATOM 1235 CD2 TYR A 85 3.999 -6.066 13.106 1.00 0.00 C ATOM 1236 CE1 TYR A 85 1.805 -7.437 14.066 1.00 0.00 C ATOM 1237 CE2 TYR A 85 4.175 -7.112 13.990 1.00 0.00 C ATOM 1238 CZ TYR A 85 3.075 -7.795 14.468 1.00 0.00 C ATOM 1239 OH TYR A 85 3.246 -8.836 15.350 1.00 0.00 O ATOM 0 H TYR A 85 2.596 -1.814 11.358 1.00 0.00 H new ATOM 0 HA TYR A 85 0.587 -3.810 12.228 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.140 -4.931 10.780 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.515 -4.106 11.488 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.642 -6.113 12.867 1.00 0.00 H new ATOM 0 HD2 TYR A 85 4.862 -5.533 12.735 1.00 0.00 H new ATOM 0 HE1 TYR A 85 0.946 -7.972 14.442 1.00 0.00 H new ATOM 0 HE2 TYR A 85 5.168 -7.394 14.306 1.00 0.00 H new ATOM 0 HH TYR A 85 4.202 -8.959 15.529 1.00 0.00 H new ATOM 1249 N ARG A 86 1.013 -3.187 14.573 1.00 0.00 N ATOM 1250 CA ARG A 86 1.238 -2.876 15.979 1.00 0.00 C ATOM 1251 C ARG A 86 1.821 -1.475 16.140 1.00 0.00 C ATOM 1252 O ARG A 86 2.575 -1.209 17.075 1.00 0.00 O ATOM 1253 CB ARG A 86 2.177 -3.906 16.608 1.00 0.00 C ATOM 1254 CG ARG A 86 1.579 -5.301 16.699 1.00 0.00 C ATOM 1255 CD ARG A 86 2.331 -6.166 17.698 1.00 0.00 C ATOM 1256 NE ARG A 86 2.269 -5.621 19.051 1.00 0.00 N ATOM 1257 CZ ARG A 86 3.032 -6.048 20.051 1.00 0.00 C ATOM 1258 NH1 ARG A 86 3.911 -7.020 19.851 1.00 0.00 N ATOM 1259 NH2 ARG A 86 2.917 -5.501 21.255 1.00 0.00 N ATOM 0 H ARG A 86 0.061 -3.480 14.353 1.00 0.00 H new ATOM 0 HA ARG A 86 0.276 -2.912 16.491 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.096 -3.951 16.024 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.451 -3.572 17.609 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.532 -5.231 16.993 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.603 -5.773 15.717 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.912 -7.172 17.693 1.00 0.00 H new ATOM 0 HD3 ARG A 86 3.373 -6.253 17.390 1.00 0.00 H new ATOM 0 HE ARG A 86 1.603 -4.871 19.239 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.003 -7.442 18.927 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.495 -7.346 20.621 1.00 0.00 H new ATOM 0 HH21 ARG A 86 2.242 -4.752 21.413 1.00 0.00 H new ATOM 0 HH22 ARG A 86 3.503 -5.829 22.022 1.00 0.00 H new ATOM 1273 N GLY A 87 1.466 -0.583 15.220 1.00 0.00 N ATOM 1274 CA GLY A 87 1.964 0.779 15.277 1.00 0.00 C ATOM 1275 C GLY A 87 3.328 0.926 14.631 1.00 0.00 C ATOM 1276 O GLY A 87 4.283 1.357 15.276 1.00 0.00 O ATOM 0 H GLY A 87 0.843 -0.779 14.437 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.256 1.442 14.779 1.00 0.00 H new ATOM 0 HA3 GLY A 87 2.022 1.098 16.318 1.00 0.00 H new ATOM 1280 N GLN A 88 3.418 0.564 13.355 1.00 0.00 N ATOM 1281 CA GLN A 88 4.676 0.656 12.624 1.00 0.00 C ATOM 1282 C GLN A 88 4.475 0.316 11.150 1.00 0.00 C ATOM 1283 O GLN A 88 3.958 -0.750 10.814 1.00 0.00 O ATOM 1284 CB GLN A 88 5.717 -0.281 13.238 1.00 0.00 C ATOM 1285 CG GLN A 88 5.669 -1.694 12.679 1.00 0.00 C ATOM 1286 CD GLN A 88 6.333 -2.706 13.592 1.00 0.00 C ATOM 1287 OE1 GLN A 88 6.298 -2.572 14.816 1.00 0.00 O ATOM 1288 NE2 GLN A 88 6.942 -3.727 13.001 1.00 0.00 N ATOM 0 H GLN A 88 2.636 0.205 12.807 1.00 0.00 H new ATOM 0 HA GLN A 88 5.035 1.683 12.696 1.00 0.00 H new ATOM 0 HB2 GLN A 88 6.711 0.134 13.070 1.00 0.00 H new ATOM 0 HB3 GLN A 88 5.566 -0.321 14.317 1.00 0.00 H new ATOM 0 HG2 GLN A 88 4.630 -1.982 12.518 1.00 0.00 H new ATOM 0 HG3 GLN A 88 6.159 -1.712 11.705 1.00 0.00 H new ATOM 0 HE21 GLN A 88 6.946 -3.799 11.984 1.00 0.00 H new ATOM 0 HE22 GLN A 88 7.405 -4.440 13.564 1.00 0.00 H new ATOM 1297 N HIS A 89 4.887 1.228 10.276 1.00 0.00 N ATOM 1298 CA HIS A 89 4.752 1.025 8.838 1.00 0.00 C ATOM 1299 C HIS A 89 5.585 -0.167 8.377 1.00 0.00 C ATOM 1300 O HIS A 89 6.796 -0.212 8.593 1.00 0.00 O ATOM 1301 CB HIS A 89 5.179 2.283 8.081 1.00 0.00 C ATOM 1302 CG HIS A 89 4.119 3.340 8.030 1.00 0.00 C ATOM 1303 ND1 HIS A 89 2.926 3.178 7.357 1.00 0.00 N ATOM 1304 CD2 HIS A 89 4.076 4.578 8.575 1.00 0.00 C ATOM 1305 CE1 HIS A 89 2.197 4.271 7.488 1.00 0.00 C ATOM 1306 NE2 HIS A 89 2.872 5.136 8.223 1.00 0.00 N ATOM 0 H HIS A 89 5.317 2.115 10.538 1.00 0.00 H new ATOM 0 HA HIS A 89 3.704 0.819 8.623 1.00 0.00 H new ATOM 0 HB2 HIS A 89 6.070 2.696 8.553 1.00 0.00 H new ATOM 0 HB3 HIS A 89 5.456 2.008 7.063 1.00 0.00 H new ATOM 0 HD2 HIS A 89 4.845 5.041 9.175 1.00 0.00 H new ATOM 0 HE1 HIS A 89 1.216 4.431 7.066 1.00 0.00 H new ATOM 0 HE2 HIS A 89 2.551 6.068 8.486 1.00 0.00 H new ATOM 1314 N VAL A 90 4.927 -1.133 7.742 1.00 0.00 N ATOM 1315 CA VAL A 90 5.607 -2.325 7.251 1.00 0.00 C ATOM 1316 C VAL A 90 6.577 -1.981 6.127 1.00 0.00 C ATOM 1317 O VAL A 90 6.717 -0.818 5.745 1.00 0.00 O ATOM 1318 CB VAL A 90 4.601 -3.375 6.743 1.00 0.00 C ATOM 1319 CG1 VAL A 90 3.734 -3.881 7.885 1.00 0.00 C ATOM 1320 CG2 VAL A 90 3.744 -2.795 5.628 1.00 0.00 C ATOM 0 H VAL A 90 3.924 -1.113 7.556 1.00 0.00 H new ATOM 0 HA VAL A 90 6.163 -2.741 8.091 1.00 0.00 H new ATOM 0 HB VAL A 90 5.158 -4.221 6.340 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.030 -4.622 7.506 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.366 -4.337 8.647 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.184 -3.047 8.321 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.039 -3.550 5.281 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.195 -1.931 6.003 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.383 -2.488 4.800 1.00 0.00 H new ATOM 1330 N THR A 91 7.248 -3.000 5.598 1.00 0.00 N ATOM 1331 CA THR A 91 8.206 -2.806 4.518 1.00 0.00 C ATOM 1332 C THR A 91 7.536 -2.197 3.291 1.00 0.00 C ATOM 1333 O THR A 91 6.611 -2.778 2.725 1.00 0.00 O ATOM 1334 CB THR A 91 8.877 -4.133 4.116 1.00 0.00 C ATOM 1335 OG1 THR A 91 9.235 -4.875 5.288 1.00 0.00 O ATOM 1336 CG2 THR A 91 10.117 -3.880 3.272 1.00 0.00 C ATOM 0 H THR A 91 7.145 -3.968 5.901 1.00 0.00 H new ATOM 0 HA THR A 91 8.967 -2.121 4.891 1.00 0.00 H new ATOM 0 HB THR A 91 8.166 -4.709 3.524 1.00 0.00 H new ATOM 0 HG1 THR A 91 9.659 -5.718 5.024 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.573 -4.832 3.001 1.00 0.00 H new ATOM 0 HG22 THR A 91 9.837 -3.341 2.367 1.00 0.00 H new ATOM 0 HG23 THR A 91 10.830 -3.286 3.843 1.00 0.00 H new ATOM 1344 N GLY A 92 8.010 -1.023 2.885 1.00 0.00 N ATOM 1345 CA GLY A 92 7.445 -0.356 1.727 1.00 0.00 C ATOM 1346 C GLY A 92 6.073 0.226 2.005 1.00 0.00 C ATOM 1347 O GLY A 92 5.194 0.198 1.144 1.00 0.00 O ATOM 0 H GLY A 92 8.775 -0.522 3.337 1.00 0.00 H new ATOM 0 HA2 GLY A 92 8.116 0.441 1.407 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.375 -1.064 0.902 1.00 0.00 H new ATOM 1351 N SER A 93 5.889 0.752 3.212 1.00 0.00 N ATOM 1352 CA SER A 93 4.612 1.337 3.603 1.00 0.00 C ATOM 1353 C SER A 93 4.787 2.795 4.018 1.00 0.00 C ATOM 1354 O SER A 93 5.778 3.174 4.642 1.00 0.00 O ATOM 1355 CB SER A 93 3.991 0.539 4.751 1.00 0.00 C ATOM 1356 OG SER A 93 2.576 0.590 4.702 1.00 0.00 O ATOM 0 H SER A 93 6.608 0.785 3.935 1.00 0.00 H new ATOM 0 HA SER A 93 3.945 1.300 2.742 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.322 -0.498 4.698 1.00 0.00 H new ATOM 0 HB3 SER A 93 4.339 0.937 5.704 1.00 0.00 H new ATOM 0 HG SER A 93 2.207 0.239 5.539 1.00 0.00 H new ATOM 1362 N PRO A 94 3.800 3.632 3.665 1.00 0.00 N ATOM 1363 CA PRO A 94 2.616 3.191 2.923 1.00 0.00 C ATOM 1364 C PRO A 94 2.942 2.812 1.482 1.00 0.00 C ATOM 1365 O PRO A 94 4.051 3.052 1.003 1.00 0.00 O ATOM 1366 CB PRO A 94 1.699 4.417 2.958 1.00 0.00 C ATOM 1367 CG PRO A 94 2.621 5.575 3.127 1.00 0.00 C ATOM 1368 CD PRO A 94 3.766 5.074 3.963 1.00 0.00 C ATOM 0 HA PRO A 94 2.172 2.296 3.359 1.00 0.00 H new ATOM 0 HB2 PRO A 94 1.119 4.504 2.039 1.00 0.00 H new ATOM 0 HB3 PRO A 94 0.986 4.355 3.780 1.00 0.00 H new ATOM 0 HG2 PRO A 94 2.973 5.938 2.161 1.00 0.00 H new ATOM 0 HG3 PRO A 94 2.116 6.408 3.616 1.00 0.00 H new ATOM 0 HD2 PRO A 94 4.703 5.562 3.695 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.601 5.261 5.024 1.00 0.00 H new ATOM 1376 N PHE A 95 1.971 2.219 0.796 1.00 0.00 N ATOM 1377 CA PHE A 95 2.155 1.806 -0.590 1.00 0.00 C ATOM 1378 C PHE A 95 1.469 2.780 -1.544 1.00 0.00 C ATOM 1379 O PHE A 95 0.242 2.854 -1.594 1.00 0.00 O ATOM 1380 CB PHE A 95 1.605 0.394 -0.801 1.00 0.00 C ATOM 1381 CG PHE A 95 2.208 -0.628 0.118 1.00 0.00 C ATOM 1382 CD1 PHE A 95 3.450 -1.179 -0.155 1.00 0.00 C ATOM 1383 CD2 PHE A 95 1.533 -1.040 1.257 1.00 0.00 C ATOM 1384 CE1 PHE A 95 4.008 -2.120 0.689 1.00 0.00 C ATOM 1385 CE2 PHE A 95 2.087 -1.980 2.105 1.00 0.00 C ATOM 1386 CZ PHE A 95 3.325 -2.522 1.820 1.00 0.00 C ATOM 0 H PHE A 95 1.048 2.014 1.178 1.00 0.00 H new ATOM 0 HA PHE A 95 3.224 1.808 -0.805 1.00 0.00 H new ATOM 0 HB2 PHE A 95 0.525 0.408 -0.656 1.00 0.00 H new ATOM 0 HB3 PHE A 95 1.785 0.093 -1.833 1.00 0.00 H new ATOM 0 HD1 PHE A 95 3.988 -0.869 -1.038 1.00 0.00 H new ATOM 0 HD2 PHE A 95 0.564 -0.622 1.484 1.00 0.00 H new ATOM 0 HE1 PHE A 95 4.977 -2.541 0.465 1.00 0.00 H new ATOM 0 HE2 PHE A 95 1.552 -2.291 2.990 1.00 0.00 H new ATOM 0 HZ PHE A 95 3.758 -3.259 2.480 1.00 0.00 H new ATOM 1396 N GLN A 96 2.272 3.525 -2.297 1.00 0.00 N ATOM 1397 CA GLN A 96 1.742 4.495 -3.248 1.00 0.00 C ATOM 1398 C GLN A 96 1.559 3.864 -4.624 1.00 0.00 C ATOM 1399 O GLN A 96 2.485 3.268 -5.174 1.00 0.00 O ATOM 1400 CB GLN A 96 2.674 5.704 -3.348 1.00 0.00 C ATOM 1401 CG GLN A 96 1.951 7.007 -3.649 1.00 0.00 C ATOM 1402 CD GLN A 96 2.823 8.000 -4.392 1.00 0.00 C ATOM 1403 OE1 GLN A 96 3.054 7.863 -5.594 1.00 0.00 O ATOM 1404 NE2 GLN A 96 3.312 9.008 -3.679 1.00 0.00 N ATOM 0 H GLN A 96 3.290 3.476 -2.267 1.00 0.00 H new ATOM 0 HA GLN A 96 0.768 4.825 -2.887 1.00 0.00 H new ATOM 0 HB2 GLN A 96 3.220 5.810 -2.411 1.00 0.00 H new ATOM 0 HB3 GLN A 96 3.412 5.519 -4.128 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.061 6.796 -4.242 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.612 7.455 -2.715 1.00 0.00 H new ATOM 0 HE21 GLN A 96 3.095 9.082 -2.685 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.905 9.708 -4.125 1.00 0.00 H new ATOM 1413 N PHE A 97 0.357 3.999 -5.176 1.00 0.00 N ATOM 1414 CA PHE A 97 0.052 3.441 -6.488 1.00 0.00 C ATOM 1415 C PHE A 97 -0.978 4.299 -7.218 1.00 0.00 C ATOM 1416 O PHE A 97 -1.891 4.851 -6.604 1.00 0.00 O ATOM 1417 CB PHE A 97 -0.468 2.009 -6.348 1.00 0.00 C ATOM 1418 CG PHE A 97 -1.871 1.930 -5.818 1.00 0.00 C ATOM 1419 CD1 PHE A 97 -2.125 2.094 -4.465 1.00 0.00 C ATOM 1420 CD2 PHE A 97 -2.937 1.692 -6.671 1.00 0.00 C ATOM 1421 CE1 PHE A 97 -3.415 2.021 -3.975 1.00 0.00 C ATOM 1422 CE2 PHE A 97 -4.229 1.618 -6.186 1.00 0.00 C ATOM 1423 CZ PHE A 97 -4.468 1.784 -4.836 1.00 0.00 C ATOM 0 H PHE A 97 -0.421 4.490 -4.735 1.00 0.00 H new ATOM 0 HA PHE A 97 0.971 3.431 -7.074 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -0.428 1.520 -7.321 1.00 0.00 H new ATOM 0 HB3 PHE A 97 0.195 1.454 -5.684 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -1.306 2.281 -3.787 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.756 1.563 -7.728 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -3.600 2.149 -2.919 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -5.050 1.431 -6.862 1.00 0.00 H new ATOM 0 HZ PHE A 97 -5.477 1.729 -4.454 1.00 0.00 H new ATOM 1433 N THR A 98 -0.823 4.406 -8.534 1.00 0.00 N ATOM 1434 CA THR A 98 -1.737 5.198 -9.349 1.00 0.00 C ATOM 1435 C THR A 98 -2.727 4.305 -10.089 1.00 0.00 C ATOM 1436 O THR A 98 -2.333 3.410 -10.836 1.00 0.00 O ATOM 1437 CB THR A 98 -0.974 6.059 -10.373 1.00 0.00 C ATOM 1438 OG1 THR A 98 -0.086 6.954 -9.696 1.00 0.00 O ATOM 1439 CG2 THR A 98 -1.941 6.854 -11.238 1.00 0.00 C ATOM 0 H THR A 98 -0.074 3.954 -9.058 1.00 0.00 H new ATOM 0 HA THR A 98 -2.281 5.853 -8.669 1.00 0.00 H new ATOM 0 HB THR A 98 -0.398 5.394 -11.016 1.00 0.00 H new ATOM 0 HG1 THR A 98 0.396 7.496 -10.354 1.00 0.00 H new ATOM 0 HG21 THR A 98 -1.380 7.455 -11.954 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.597 6.169 -11.775 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.540 7.509 -10.606 1.00 0.00 H new ATOM 1447 N VAL A 99 -4.015 4.556 -9.877 1.00 0.00 N ATOM 1448 CA VAL A 99 -5.063 3.776 -10.526 1.00 0.00 C ATOM 1449 C VAL A 99 -5.435 4.373 -11.878 1.00 0.00 C ATOM 1450 O VAL A 99 -5.224 5.560 -12.123 1.00 0.00 O ATOM 1451 CB VAL A 99 -6.326 3.693 -9.648 1.00 0.00 C ATOM 1452 CG1 VAL A 99 -7.300 2.668 -10.209 1.00 0.00 C ATOM 1453 CG2 VAL A 99 -5.955 3.358 -8.211 1.00 0.00 C ATOM 0 H VAL A 99 -4.358 5.293 -9.261 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.665 2.772 -10.673 1.00 0.00 H new ATOM 0 HB VAL A 99 -6.817 4.666 -9.655 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -8.186 2.623 -9.576 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.590 2.957 -11.219 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.823 1.688 -10.235 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.859 3.303 -7.605 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.441 2.397 -8.183 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.299 4.133 -7.815 1.00 0.00 H new ATOM 1463 N GLY A 100 -5.991 3.541 -12.753 1.00 0.00 N ATOM 1464 CA GLY A 100 -6.384 4.005 -14.071 1.00 0.00 C ATOM 1465 C GLY A 100 -7.730 3.456 -14.501 1.00 0.00 C ATOM 1466 O GLY A 100 -8.157 2.388 -14.063 1.00 0.00 O ATOM 0 H GLY A 100 -6.176 2.554 -12.573 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -6.422 5.094 -14.073 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.626 3.711 -14.797 1.00 0.00 H new ATOM 1470 N PRO A 101 -8.423 4.197 -15.379 1.00 0.00 N ATOM 1471 CA PRO A 101 -9.739 3.798 -15.887 1.00 0.00 C ATOM 1472 C PRO A 101 -9.660 2.593 -16.818 1.00 0.00 C ATOM 1473 O PRO A 101 -8.572 2.107 -17.130 1.00 0.00 O ATOM 1474 CB PRO A 101 -10.213 5.035 -16.653 1.00 0.00 C ATOM 1475 CG PRO A 101 -8.961 5.739 -17.048 1.00 0.00 C ATOM 1476 CD PRO A 101 -7.975 5.481 -15.943 1.00 0.00 C ATOM 0 HA PRO A 101 -10.411 3.493 -15.084 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -10.804 4.758 -17.526 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -10.844 5.669 -16.030 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -8.586 5.364 -18.001 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -9.137 6.807 -17.173 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -6.955 5.420 -16.321 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -7.991 6.275 -15.197 1.00 0.00 H new ATOM 1484 N LEU A 102 -10.818 2.114 -17.258 1.00 0.00 N ATOM 1485 CA LEU A 102 -10.880 0.965 -18.154 1.00 0.00 C ATOM 1486 C LEU A 102 -10.769 1.404 -19.611 1.00 0.00 C ATOM 1487 O LEU A 102 -11.625 2.127 -20.119 1.00 0.00 O ATOM 1488 CB LEU A 102 -12.185 0.196 -17.940 1.00 0.00 C ATOM 1489 CG LEU A 102 -12.179 -1.270 -18.375 1.00 0.00 C ATOM 1490 CD1 LEU A 102 -13.264 -2.048 -17.647 1.00 0.00 C ATOM 1491 CD2 LEU A 102 -12.363 -1.379 -19.882 1.00 0.00 C ATOM 0 H LEU A 102 -11.727 2.504 -17.009 1.00 0.00 H new ATOM 0 HA LEU A 102 -10.038 0.311 -17.925 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -12.439 0.239 -16.881 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -12.980 0.711 -18.480 1.00 0.00 H new ATOM 0 HG LEU A 102 -11.213 -1.703 -18.114 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -13.244 -3.089 -17.970 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -13.089 -1.998 -16.572 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -14.238 -1.616 -17.876 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -12.356 -2.429 -20.174 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -13.315 -0.929 -20.166 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -11.550 -0.857 -20.387 1.00 0.00 H new ATOM 1503 N GLY A 103 -9.709 0.959 -20.279 1.00 0.00 N ATOM 1504 CA GLY A 103 -9.506 1.315 -21.671 1.00 0.00 C ATOM 1505 C GLY A 103 -8.491 2.427 -21.844 1.00 0.00 C ATOM 1506 O GLY A 103 -7.348 2.306 -21.402 1.00 0.00 O ATOM 0 H GLY A 103 -8.987 0.358 -19.881 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -9.174 0.436 -22.223 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -10.456 1.624 -22.106 1.00 0.00 H new ATOM 1510 N GLU A 104 -8.907 3.512 -22.489 1.00 0.00 N ATOM 1511 CA GLU A 104 -8.023 4.648 -22.721 1.00 0.00 C ATOM 1512 C GLU A 104 -8.575 5.909 -22.062 1.00 0.00 C ATOM 1513 O GLU A 104 -9.623 5.879 -21.420 1.00 0.00 O ATOM 1514 CB GLU A 104 -7.840 4.882 -24.222 1.00 0.00 C ATOM 1515 CG GLU A 104 -7.232 3.697 -24.953 1.00 0.00 C ATOM 1516 CD GLU A 104 -5.771 3.486 -24.608 1.00 0.00 C ATOM 1517 OE1 GLU A 104 -4.909 4.083 -25.288 1.00 0.00 O ATOM 1518 OE2 GLU A 104 -5.488 2.724 -23.660 1.00 0.00 O ATOM 0 H GLU A 104 -9.850 3.628 -22.860 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.055 4.420 -22.276 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.808 5.114 -24.666 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -7.204 5.755 -24.370 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.793 2.796 -24.706 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.329 3.849 -26.028 1.00 0.00 H new ATOM 1525 N GLY A 105 -7.858 7.017 -22.227 1.00 0.00 N ATOM 1526 CA GLY A 105 -8.290 8.273 -21.642 1.00 0.00 C ATOM 1527 C GLY A 105 -9.432 8.909 -22.411 1.00 0.00 C ATOM 1528 O GLY A 105 -9.941 8.331 -23.370 1.00 0.00 O ATOM 0 H GLY A 105 -6.987 7.067 -22.755 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -8.601 8.102 -20.611 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -7.448 8.964 -21.611 1.00 0.00 H new ATOM 1532 N GLY A 106 -9.836 10.103 -21.988 1.00 0.00 N ATOM 1533 CA GLY A 106 -10.923 10.797 -22.654 1.00 0.00 C ATOM 1534 C GLY A 106 -12.252 10.600 -21.953 1.00 0.00 C ATOM 1535 O GLY A 106 -12.635 11.399 -21.099 1.00 0.00 O ATOM 0 H GLY A 106 -9.430 10.602 -21.196 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -10.695 11.862 -22.702 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -11.001 10.442 -23.681 1.00 0.00 H new TER 1539 GLY A 106